smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCc1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)ccc1OC ZINC000188916976 1126077110 /nfs/dbraw/zinc/07/71/10/1126077110.db2.gz RHLSSXMYIZDCAE-HXUWFJFHSA-N 1 0 343.467 3.233 20 10 EGCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000052083876 214115863 /nfs/dbraw/zinc/11/58/63/214115863.db2.gz GLBCFKLBKFIBAJ-UHFFFAOYSA-N 1 0 339.464 3.320 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1ccccc1O ZINC000359990598 201121970 /nfs/dbraw/zinc/12/19/70/201121970.db2.gz BXWMEIMJRBIPQQ-WLWJZTKJSA-N 1 0 336.435 3.200 20 10 EGCDRO C[C@]12CC[N@H+](Cc3cc4c(cc3O)OCO4)C[C@H]1C2(Cl)Cl ZINC000284544185 455703326 /nfs/dbraw/zinc/70/33/26/455703326.db2.gz VRQCNINALBQDMH-KGLIPLIRSA-N 1 0 330.211 3.137 20 10 EGCDRO COC[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000157762450 455228913 /nfs/dbraw/zinc/22/89/13/455228913.db2.gz XZZFIBFTKQAOJV-QGZVFWFLSA-N 1 0 340.414 3.271 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000264741224 455274293 /nfs/dbraw/zinc/27/42/93/455274293.db2.gz UATRPMUFHKBMBB-AZUAARDMSA-N 1 0 345.414 3.246 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000007216301 453047210 /nfs/dbraw/zinc/04/72/10/453047210.db2.gz WPXVAPYNXOWXIO-KRWDZBQOSA-N 1 0 343.496 3.267 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000066703923 453864298 /nfs/dbraw/zinc/86/42/98/453864298.db2.gz FHAIIVFNVIRIJF-UHFFFAOYSA-N 1 0 333.476 3.188 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)CC1CCOCC1 ZINC000076118421 453967161 /nfs/dbraw/zinc/96/71/61/453967161.db2.gz ADDRZJRLEOWZBD-UHFFFAOYSA-N 1 0 328.250 3.403 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3C[C@@H]4C=C[C@H]3C4)cc2F)CC1 ZINC000085305128 454023320 /nfs/dbraw/zinc/02/33/20/454023320.db2.gz WYBKDAQYJCVGJH-HYVNUMGLSA-N 1 0 330.447 3.089 20 10 EGCDRO CC(C)N(C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC000070976190 454191369 /nfs/dbraw/zinc/19/13/69/454191369.db2.gz ROPNMEPDDKNRLK-SFHVURJKSA-N 1 0 348.487 3.019 20 10 EGCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000119900450 454234967 /nfs/dbraw/zinc/23/49/67/454234967.db2.gz IKDPRZZXMCALIS-INIZCTEOSA-N 1 0 346.496 3.013 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090061497 454270569 /nfs/dbraw/zinc/27/05/69/454270569.db2.gz VEQUYLDIRZCKTH-HNNXBMFYSA-N 1 0 329.444 3.125 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccc(C)o1 ZINC000184709659 455433565 /nfs/dbraw/zinc/43/35/65/455433565.db2.gz IOALORSWTOJESY-CYBMUJFWSA-N 1 0 325.792 3.433 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000079464880 454420690 /nfs/dbraw/zinc/42/06/90/454420690.db2.gz JBFHRAGGAUNCMQ-HNNXBMFYSA-N 1 0 334.435 3.042 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091855744 454482052 /nfs/dbraw/zinc/48/20/52/454482052.db2.gz DYKCNBKTUZJOLJ-OALUTQOASA-N 1 0 332.513 3.383 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000122456806 454535319 /nfs/dbraw/zinc/53/53/19/454535319.db2.gz IFNDGVHDXKFRHI-ZAMGYDSWSA-N 1 0 334.460 3.480 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(C(N)=O)c1 ZINC000051476344 454626280 /nfs/dbraw/zinc/62/62/80/454626280.db2.gz WUWRIOCTIFTEEE-UHFFFAOYSA-N 1 0 337.467 3.408 20 10 EGCDRO CCC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1O ZINC000124036914 454695700 /nfs/dbraw/zinc/69/57/00/454695700.db2.gz OMQNJXYODKNCFV-UHFFFAOYSA-N 1 0 347.484 3.098 20 10 EGCDRO C[C@H]([NH2+]CCCOCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162862272 454805594 /nfs/dbraw/zinc/80/55/94/454805594.db2.gz GCPLFFWZNKDIRX-HNNXBMFYSA-N 1 0 336.451 3.130 20 10 EGCDRO CCC[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1O ZINC000177037232 454814666 /nfs/dbraw/zinc/81/46/66/454814666.db2.gz MXBLDSYZZDNEOY-UHFFFAOYSA-N 1 0 345.418 3.354 20 10 EGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111234985 454859079 /nfs/dbraw/zinc/85/90/79/454859079.db2.gz DLPRJIKUSVITEF-MRXNPFEDSA-N 1 0 330.815 3.283 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)ccn1 ZINC000184974072 455480761 /nfs/dbraw/zinc/48/07/61/455480761.db2.gz VFIOFEIIYAUTJW-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000112583578 454891773 /nfs/dbraw/zinc/89/17/73/454891773.db2.gz WTRLMKVUYVYIRY-CQSZACIVSA-N 1 0 328.412 3.250 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000177872840 454914501 /nfs/dbraw/zinc/91/45/01/454914501.db2.gz ANDHUEZXAHWKEH-WMLDXEAASA-N 1 0 333.451 3.135 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1 ZINC000154740047 454925159 /nfs/dbraw/zinc/92/51/59/454925159.db2.gz QANFGVUIJNIZEB-UZUQRXQVSA-N 1 0 333.453 3.000 20 10 EGCDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000178213860 454943306 /nfs/dbraw/zinc/94/33/06/454943306.db2.gz ZSMILNLGVBYGHV-INIZCTEOSA-N 1 0 329.488 3.244 20 10 EGCDRO C[C@@H]([NH2+]CCOc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000155222047 454976635 /nfs/dbraw/zinc/97/66/35/454976635.db2.gz IWTQHHPGUNATPU-QGZVFWFLSA-N 1 0 326.440 3.253 20 10 EGCDRO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179562969 455058769 /nfs/dbraw/zinc/05/87/69/455058769.db2.gz WSIUBDCDOSDZSD-UHFFFAOYSA-N 1 0 344.842 3.394 20 10 EGCDRO CCOCc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000171765119 455092599 /nfs/dbraw/zinc/09/25/99/455092599.db2.gz XCRJRRDIONECCR-UHFFFAOYSA-N 1 0 344.411 3.472 20 10 EGCDRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(F)ccc1O ZINC000179884552 455094133 /nfs/dbraw/zinc/09/41/33/455094133.db2.gz OCJVANZYMQHPPW-UHFFFAOYSA-N 1 0 346.402 3.391 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(O)c1 ZINC000129483408 455113794 /nfs/dbraw/zinc/11/37/94/455113794.db2.gz IQCLUFUUYRFIHR-UHFFFAOYSA-N 1 0 346.393 3.251 20 10 EGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(F)ccc1O ZINC000180072753 455126860 /nfs/dbraw/zinc/12/68/60/455126860.db2.gz RKWSIJLIQMNRQE-UHFFFAOYSA-N 1 0 330.403 3.255 20 10 EGCDRO Oc1ccc(Br)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000129893491 455133001 /nfs/dbraw/zinc/13/30/01/455133001.db2.gz JBMADRUOXQAXPY-LLVKDONJSA-N 1 0 326.234 3.156 20 10 EGCDRO CCOC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130088510 455141834 /nfs/dbraw/zinc/14/18/34/455141834.db2.gz DXTJJBQOPQGENK-KGLIPLIRSA-N 1 0 328.403 3.271 20 10 EGCDRO Oc1ccc2ccccc2c1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172407414 455151844 /nfs/dbraw/zinc/15/18/44/455151844.db2.gz OKIDYCWFNRWMDG-UHFFFAOYSA-N 1 0 340.467 3.090 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000157580613 455209345 /nfs/dbraw/zinc/20/93/45/455209345.db2.gz YZWPQVCHHKQYQZ-FOIQADDNSA-N 1 0 344.430 3.047 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)c1 ZINC000190428068 455314352 /nfs/dbraw/zinc/31/43/52/455314352.db2.gz QJUCFIZLNXGVQB-WMZOPIPTSA-N 1 0 345.443 3.017 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000266809956 455455547 /nfs/dbraw/zinc/45/55/47/455455547.db2.gz WEXFKJSIWMVGTC-INIZCTEOSA-N 1 0 334.508 3.013 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000185068763 455495716 /nfs/dbraw/zinc/49/57/16/455495716.db2.gz JJNUWVOBCRIUMI-INIZCTEOSA-N 1 0 325.456 3.411 20 10 EGCDRO COc1ccc(O)c(CN[C@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000191600223 455501721 /nfs/dbraw/zinc/50/17/21/455501721.db2.gz QQKLWZXQWYBXBT-CYBMUJFWSA-N 1 0 339.395 3.225 20 10 EGCDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185150388 455511272 /nfs/dbraw/zinc/51/12/72/455511272.db2.gz IMPYAIIOLYEGRS-AWEZNQCLSA-N 1 0 338.451 3.481 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC000191780682 455519135 /nfs/dbraw/zinc/51/91/35/455519135.db2.gz DXIGOPQUNWVNSV-YWZLYKJASA-N 1 0 329.440 3.120 20 10 EGCDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000267901613 455562570 /nfs/dbraw/zinc/56/25/70/455562570.db2.gz LKTZXPPGURNJLX-BEFAXECRSA-N 1 0 327.424 3.343 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000268311388 455647755 /nfs/dbraw/zinc/64/77/55/455647755.db2.gz XQRSWBBWYFVSOQ-NVXWUHKLSA-N 1 0 347.386 3.415 20 10 EGCDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000185952991 455661270 /nfs/dbraw/zinc/66/12/70/455661270.db2.gz JZWXKUCIDPVDIN-LBPRGKRZSA-N 1 0 348.830 3.135 20 10 EGCDRO Cc1cc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)ccc1N(C)C ZINC000292735847 455743807 /nfs/dbraw/zinc/74/38/07/455743807.db2.gz GYVCMPUMLCHPNF-HSZRJFAPSA-N 1 0 330.497 3.430 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](O)c1c(F)cccc1F ZINC000271792760 455761792 /nfs/dbraw/zinc/76/17/92/455761792.db2.gz HEADBLUGWKLYPK-YJBOKZPZSA-N 1 0 337.366 3.281 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCc2nc3c(cccc3C)o2)cc1OC ZINC000271794000 455762758 /nfs/dbraw/zinc/76/27/58/455762758.db2.gz HKIGZOBPLFQAAV-UHFFFAOYSA-N 1 0 342.395 3.191 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1)OCO2 ZINC000292861136 455763996 /nfs/dbraw/zinc/76/39/96/455763996.db2.gz AQQDTHANBDNLLU-UHFFFAOYSA-N 1 0 341.285 3.151 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1OC ZINC000271854528 455787699 /nfs/dbraw/zinc/78/76/99/455787699.db2.gz UNCGOJOJWQASDU-OAHLLOKOSA-N 1 0 335.444 3.381 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000285136947 455793593 /nfs/dbraw/zinc/79/35/93/455793593.db2.gz OLNUHQHWJBRKPJ-LBPRGKRZSA-N 1 0 337.416 3.176 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1O ZINC000271902591 455797887 /nfs/dbraw/zinc/79/78/87/455797887.db2.gz ZPBJJGCUMYPPLJ-BXUZGUMPSA-N 1 0 328.250 3.198 20 10 EGCDRO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000293830623 455798635 /nfs/dbraw/zinc/79/86/35/455798635.db2.gz GLOHHKLOOPUNER-CQSZACIVSA-N 1 0 326.234 3.034 20 10 EGCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293930251 455800829 /nfs/dbraw/zinc/80/08/29/455800829.db2.gz XXUNQQMOBAYLOJ-KDOFPFPSSA-N 1 0 345.439 3.410 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000269207683 455812083 /nfs/dbraw/zinc/81/20/83/455812083.db2.gz MPGRZAYPRUYYBS-IFXJQAMLSA-N 1 0 325.456 3.212 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000294527561 455819354 /nfs/dbraw/zinc/81/93/54/455819354.db2.gz GSNYCCIZRNXRGM-MRXNPFEDSA-N 1 0 343.496 3.082 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000186696114 455821212 /nfs/dbraw/zinc/82/12/12/455821212.db2.gz ZGQMLBCKTRWWEA-FQEVSTJZSA-N 1 0 341.382 3.365 20 10 EGCDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000294863227 455829614 /nfs/dbraw/zinc/82/96/14/455829614.db2.gz UAJLRKWVKUKNFS-INIZCTEOSA-N 1 0 329.440 3.469 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](CCO)C3CCCCC3)cc2)CC1 ZINC000294845710 455830210 /nfs/dbraw/zinc/83/02/10/455830210.db2.gz ALMHWJVALRKONN-UHFFFAOYSA-N 1 0 346.515 3.429 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c(O)c1 ZINC000285407706 455837994 /nfs/dbraw/zinc/83/79/94/455837994.db2.gz XONIXQNUEDUOMK-AWEZNQCLSA-N 1 0 348.468 3.231 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)NC(C)C)c1O ZINC000186984374 455858893 /nfs/dbraw/zinc/85/88/93/455858893.db2.gz KWOBCCHKVREVPE-LLVKDONJSA-N 1 0 343.265 3.028 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)CC2 ZINC000295957489 455864565 /nfs/dbraw/zinc/86/45/65/455864565.db2.gz LXLLFOUXHVRPDQ-JKSUJKDBSA-N 1 0 344.480 3.104 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3C[C@H](C)O)cc2)CC1 ZINC000295977488 455865888 /nfs/dbraw/zinc/86/58/88/455865888.db2.gz KXBPOTDIUWZVMH-PXNSSMCTSA-N 1 0 346.515 3.427 20 10 EGCDRO CCC1(CO)CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296181261 455874435 /nfs/dbraw/zinc/87/44/35/455874435.db2.gz CVBNAHVXCYVNSE-UHFFFAOYSA-N 1 0 346.515 3.286 20 10 EGCDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187230934 455884747 /nfs/dbraw/zinc/88/47/47/455884747.db2.gz HIKVDNAIJINYGZ-OUJBWJOFSA-N 1 0 348.306 3.226 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280196546 455914593 /nfs/dbraw/zinc/91/45/93/455914593.db2.gz HRGNQYZXZFPCLW-AWEZNQCLSA-N 1 0 341.329 3.422 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)c1O ZINC000296369675 455921133 /nfs/dbraw/zinc/92/11/33/455921133.db2.gz JDKAMTYIUREHFY-LOWVWBTDSA-N 1 0 328.250 3.275 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@]2(CCOC2)O1 ZINC000280325446 455947577 /nfs/dbraw/zinc/94/75/77/455947577.db2.gz QSDNKZOIUNKZAI-KKSFZXQISA-N 1 0 339.435 3.439 20 10 EGCDRO COCC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccc(C)o1 ZINC000272666260 456032044 /nfs/dbraw/zinc/03/20/44/456032044.db2.gz SGHUAQKEGFSACV-AWEZNQCLSA-N 1 0 335.400 3.178 20 10 EGCDRO COc1ccc(O)c(C[NH2+]CCCCC(=O)OCc2ccccc2)c1 ZINC000272724659 456053210 /nfs/dbraw/zinc/05/32/10/456053210.db2.gz GMQOHXILJOCNMV-UHFFFAOYSA-N 1 0 343.423 3.404 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000287391735 456068670 /nfs/dbraw/zinc/06/86/70/456068670.db2.gz QENYYTOYHLWKIX-HNNXBMFYSA-N 1 0 338.467 3.254 20 10 EGCDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1O ZINC000289377954 456122621 /nfs/dbraw/zinc/12/26/21/456122621.db2.gz CAYJJYMUXPATBE-LJQANCHMSA-N 1 0 325.456 3.274 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccncc1 ZINC000271094080 456123204 /nfs/dbraw/zinc/12/32/04/456123204.db2.gz XUBLGPYPNKAKGA-CQSZACIVSA-N 1 0 329.419 3.033 20 10 EGCDRO COCC[N@H+](Cc1cccnc1)Cc1cc(Cl)cc(OC)c1O ZINC000289445657 456125389 /nfs/dbraw/zinc/12/53/89/456125389.db2.gz MKKXBGBNSTZUHB-UHFFFAOYSA-N 1 0 336.819 3.098 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000271105292 456127608 /nfs/dbraw/zinc/12/76/08/456127608.db2.gz RIAVFPDRXWGPTF-UHFFFAOYSA-N 1 0 340.423 3.054 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289587517 456132107 /nfs/dbraw/zinc/13/21/07/456132107.db2.gz BTPNPHNJTZYYTA-BOUXLOLZSA-N 1 0 327.424 3.218 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCOC1 ZINC000281096640 456132101 /nfs/dbraw/zinc/13/21/01/456132101.db2.gz ADGRZWRAVNDILI-YJBOKZPZSA-N 1 0 327.424 3.486 20 10 EGCDRO COC[C@]1(C[NH2+][C@@H](C)c2cc(C)ccc2O)OCCc2ccccc21 ZINC000289609913 456132350 /nfs/dbraw/zinc/13/23/50/456132350.db2.gz CZWZYWBUOBFISF-KKSFZXQISA-N 1 0 341.451 3.466 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000273049490 456159357 /nfs/dbraw/zinc/15/93/57/456159357.db2.gz YDTNPEIPYDDVEB-JNDILOIQSA-N 1 0 349.427 3.322 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]CCCn1cc(Br)cn1)CC2 ZINC000297340825 456191800 /nfs/dbraw/zinc/19/18/00/456191800.db2.gz OMPJLVMUVZADRD-CYBMUJFWSA-N 1 0 336.233 3.018 20 10 EGCDRO COC[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)OCCc2ccccc21 ZINC000297419340 456215901 /nfs/dbraw/zinc/21/59/01/456215901.db2.gz UNWUFARYYKICTI-WIYYLYMNSA-N 1 0 339.435 3.084 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000273304113 456222418 /nfs/dbraw/zinc/22/24/18/456222418.db2.gz CIZQEBZTOXUCCK-MRXNPFEDSA-N 1 0 326.440 3.388 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c(O)c1C ZINC000273438416 456229847 /nfs/dbraw/zinc/22/98/47/456229847.db2.gz XPZLECOJVMMKMT-MRXNPFEDSA-N 1 0 341.455 3.091 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000273435196 456230723 /nfs/dbraw/zinc/23/07/23/456230723.db2.gz WUAIPJICESAHID-NVXWUHKLSA-N 1 0 326.440 3.326 20 10 EGCDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(Br)cc1O ZINC000273467827 456232741 /nfs/dbraw/zinc/23/27/41/456232741.db2.gz JFXKTDDGBOEMOQ-HQJQHLMTSA-N 1 0 342.155 3.119 20 10 EGCDRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000290073684 456233507 /nfs/dbraw/zinc/23/35/07/456233507.db2.gz FXYODKYIDOOMFY-IBGZPJMESA-N 1 0 333.378 3.098 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273546850 456237279 /nfs/dbraw/zinc/23/72/79/456237279.db2.gz ZPKKIGLVHZPWSJ-GXTWGEPZSA-N 1 0 344.377 3.213 20 10 EGCDRO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2)c1 ZINC000273612616 456241075 /nfs/dbraw/zinc/24/10/75/456241075.db2.gz WQHGXBNROQEIGC-HUUCEWRRSA-N 1 0 342.439 3.339 20 10 EGCDRO CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccccc1O ZINC000274761743 456264730 /nfs/dbraw/zinc/26/47/30/456264730.db2.gz KGTCINNRLYSAQM-AEFFLSMTSA-N 1 0 340.471 3.491 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@H]3CCc4cccc(O)c43)CC2)nc(C)n1 ZINC000297856760 456311845 /nfs/dbraw/zinc/31/18/45/456311845.db2.gz TWSUJMSAITXMFF-KRWDZBQOSA-N 1 0 338.455 3.045 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1 ZINC000290385494 456313794 /nfs/dbraw/zinc/31/37/94/456313794.db2.gz RXPFGXATUDLVIL-ADLFWFRXSA-N 1 0 326.440 3.288 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)cc1F ZINC000290406289 456319474 /nfs/dbraw/zinc/31/94/74/456319474.db2.gz PVFOTVMBPWMZNC-GFCCVEGCSA-N 1 0 337.464 3.472 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNc3ncncc3Cl)cc2F)CC1 ZINC000302647757 456368441 /nfs/dbraw/zinc/36/84/41/456368441.db2.gz MLBSTVSKYLXYSP-UHFFFAOYSA-N 1 0 349.841 3.023 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c(C)n1-c1ccccc1 ZINC000282071100 456406243 /nfs/dbraw/zinc/40/62/43/456406243.db2.gz WTRVBULAOVYIPI-KRWDZBQOSA-N 1 0 325.456 3.295 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1F ZINC000291262377 456583198 /nfs/dbraw/zinc/58/31/98/456583198.db2.gz NBHAFCWHPXARBU-FQEVSTJZSA-N 1 0 328.431 3.028 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1OC ZINC000276813751 456588110 /nfs/dbraw/zinc/58/81/10/456588110.db2.gz OLOBVRSFVDXHRJ-OAHLLOKOSA-N 1 0 335.444 3.381 20 10 EGCDRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000299196801 456631260 /nfs/dbraw/zinc/63/12/60/456631260.db2.gz OZDXJHBOBOBLOU-UHFFFAOYSA-N 1 0 337.467 3.277 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000277125152 456689614 /nfs/dbraw/zinc/68/96/14/456689614.db2.gz FWPLKPTYLGXSMI-QGZVFWFLSA-N 1 0 340.471 3.045 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1O)c1ccsc1 ZINC000299480599 456705814 /nfs/dbraw/zinc/70/58/14/456705814.db2.gz GWKPYQKUWZKQCF-MRXNPFEDSA-N 1 0 347.484 3.336 20 10 EGCDRO CC(C)[N@H+](C)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000299504699 456714097 /nfs/dbraw/zinc/71/40/97/456714097.db2.gz OZVIEFPRMHHZQD-UHFFFAOYSA-N 1 0 343.471 3.215 20 10 EGCDRO O=C(NCc1ccccc1O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000299557253 456726553 /nfs/dbraw/zinc/72/65/53/456726553.db2.gz YYJJOPSSURBDAF-GOSISDBHSA-N 1 0 339.439 3.029 20 10 EGCDRO Cc1nnsc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000291781234 456755935 /nfs/dbraw/zinc/75/59/35/456755935.db2.gz UYPBBFCCFLWPHQ-UHFFFAOYSA-N 1 0 330.379 3.221 20 10 EGCDRO Cc1cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC000301220014 456825092 /nfs/dbraw/zinc/82/50/92/456825092.db2.gz ADABNMXOFASISH-OAHLLOKOSA-N 1 0 332.835 3.221 20 10 EGCDRO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349339606 456946716 /nfs/dbraw/zinc/94/67/16/456946716.db2.gz DJBCKRGDCHDQCE-AWEZNQCLSA-N 1 0 330.476 3.016 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000352126239 457340518 /nfs/dbraw/zinc/34/05/18/457340518.db2.gz QZBYDJULPOASIV-DZKIICNBSA-N 1 0 327.472 3.364 20 10 EGCDRO CO[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000378169200 457381809 /nfs/dbraw/zinc/38/18/09/457381809.db2.gz OBJGFODUSJVZHN-OLZOCXBDSA-N 1 0 328.403 3.270 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000366746720 457894697 /nfs/dbraw/zinc/89/46/97/457894697.db2.gz RHRNAYZOUUXWQH-BBRMVZONSA-N 1 0 340.920 3.353 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000367690771 457972480 /nfs/dbraw/zinc/97/24/80/457972480.db2.gz ZJXCDNUJDYRIPJ-WOJBJXKFSA-N 1 0 344.499 3.162 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1O ZINC000371669809 458027559 /nfs/dbraw/zinc/02/75/59/458027559.db2.gz IBWQXXLPDQWXHV-UHFFFAOYSA-N 1 0 335.835 3.478 20 10 EGCDRO CN1CCC2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C1=O ZINC000369648602 458301549 /nfs/dbraw/zinc/30/15/49/458301549.db2.gz NJOLJNSETIZLFG-UHFFFAOYSA-N 1 0 341.499 3.121 20 10 EGCDRO C[C@H]1CCCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc21 ZINC000592563242 459631205 /nfs/dbraw/zinc/63/12/05/459631205.db2.gz YKFVXQYHNLOEQE-GJZGRUSLSA-N 1 0 338.455 3.263 20 10 EGCDRO C[NH2+]CCc1ccccc1C(=O)N1C[C@H](C)CN(C)c2ccccc21 ZINC000565534484 459785748 /nfs/dbraw/zinc/78/57/48/459785748.db2.gz JQEXTFVDGLPSSV-MRXNPFEDSA-N 1 0 337.467 3.181 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000529666013 459833138 /nfs/dbraw/zinc/83/31/38/459833138.db2.gz IRRMPQURUBKDKF-IBGZPJMESA-N 1 0 327.424 3.297 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000529666014 459833283 /nfs/dbraw/zinc/83/32/83/459833283.db2.gz IRRMPQURUBKDKF-LJQANCHMSA-N 1 0 327.424 3.297 20 10 EGCDRO Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662807633 461379179 /nfs/dbraw/zinc/37/91/79/461379179.db2.gz MJUGXOMUICYKIQ-UHFFFAOYSA-N 1 0 347.462 3.270 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)c1nncn1C)c1cc(Br)ccc1O ZINC000037017379 522702369 /nfs/dbraw/zinc/70/23/69/522702369.db2.gz IJTPXQGYCQUZBO-CABZTGNLSA-N 1 0 339.237 3.085 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC3([C@@H](C)CCO)CCC3)CC2)cc1 ZINC000359905985 536669897 /nfs/dbraw/zinc/66/98/97/536669897.db2.gz XWXDCRJSJJHYDU-KRWDZBQOSA-N 1 0 346.515 3.442 20 10 EGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCSC1 ZINC000163393872 546971857 /nfs/dbraw/zinc/97/18/57/546971857.db2.gz YKPANOSZFGXBMK-CYBMUJFWSA-N 1 0 346.418 3.137 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000378392599 547818908 /nfs/dbraw/zinc/81/89/08/547818908.db2.gz ZEYYNEJLJHDSTH-FXAWDEMLSA-N 1 0 332.488 3.457 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1C ZINC000727830955 574692964 /nfs/dbraw/zinc/69/29/64/574692964.db2.gz YAINEKAWFQXVSR-SFHVURJKSA-N 1 0 329.440 3.353 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000729685947 574879366 /nfs/dbraw/zinc/87/93/66/574879366.db2.gz OTTJFNLXPAQCCT-HNNXBMFYSA-N 1 0 346.475 3.157 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(C)CCCC3)cc2F)CC1 ZINC000730192938 574940181 /nfs/dbraw/zinc/94/01/81/574940181.db2.gz RYRISHFSPUEDPD-UHFFFAOYSA-N 1 0 347.478 3.164 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c(O)c1 ZINC000734004164 575421450 /nfs/dbraw/zinc/42/14/50/575421450.db2.gz RGPPXLGEUVXIHZ-GOSISDBHSA-N 1 0 337.366 3.066 20 10 EGCDRO CC[NH+](CC)[C@@H](C(=O)NCc1cc(OC)ccc1O)c1ccccc1 ZINC000734016468 575427369 /nfs/dbraw/zinc/42/73/69/575427369.db2.gz TVTRIAUYUBERQK-LJQANCHMSA-N 1 0 342.439 3.100 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000734507998 575504333 /nfs/dbraw/zinc/50/43/33/575504333.db2.gz AZXWSZIUXRXWKR-IBGZPJMESA-N 1 0 327.424 3.344 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000734520677 575507316 /nfs/dbraw/zinc/50/73/16/575507316.db2.gz JALSTONEHBKQQA-IAGOWNOFSA-N 1 0 346.519 3.123 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cc(Br)ccc1O ZINC000756615705 576160035 /nfs/dbraw/zinc/16/00/35/576160035.db2.gz FZUXMVVLFZJJBS-VXGBXAGGSA-N 1 0 327.266 3.290 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000741723391 576713590 /nfs/dbraw/zinc/71/35/90/576713590.db2.gz DIUAZDKRIOCQSH-FUHWJXTLSA-N 1 0 325.456 3.307 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741725031 576714169 /nfs/dbraw/zinc/71/41/69/576714169.db2.gz QRSGUMWMPODZIN-DYVFJYSZSA-N 1 0 343.446 3.446 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000741754885 576717472 /nfs/dbraw/zinc/71/74/72/576717472.db2.gz ZVSDJGZQQHHCKD-BBTUJRGHSA-N 1 0 345.531 3.216 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1F ZINC000742253425 576762723 /nfs/dbraw/zinc/76/27/23/576762723.db2.gz PSWXPSYIZNNPOY-GJZGRUSLSA-N 1 0 335.467 3.161 20 10 EGCDRO C[C@H]1CCCN1C(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000743261938 576804553 /nfs/dbraw/zinc/80/45/53/576804553.db2.gz KHECYRFVSBXDJV-INIZCTEOSA-N 1 0 329.488 3.118 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000743869820 576817889 /nfs/dbraw/zinc/81/78/89/576817889.db2.gz BOMIFILKAYPNNU-BRWVUGGUSA-N 1 0 332.488 3.497 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1C ZINC000873094535 1297271250 /nfs/dbraw/zinc/27/12/50/1297271250.db2.gz DQWLDCHKMATLDO-VQTJNVASSA-N 1 0 343.467 3.358 20 10 EGCDRO CC(C)[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H](C)[NH3+] ZINC000399546060 1297727487 /nfs/dbraw/zinc/72/74/87/1297727487.db2.gz YQLBUANJENIJAM-LPHOPBHVSA-N 1 0 331.504 3.255 20 10 EGCDRO CCc1cccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)c1O ZINC000691436534 1298134013 /nfs/dbraw/zinc/13/40/13/1298134013.db2.gz RSYGAGLBAWIMLL-UHFFFAOYSA-N 1 0 334.460 3.492 20 10 EGCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000769410102 1303108124 /nfs/dbraw/zinc/10/81/24/1303108124.db2.gz YDMKTLJTJXOPPO-YJBOKZPZSA-N 1 0 329.488 3.057 20 10 EGCDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc2c(cc1O)OCO2 ZINC000057103857 1291844782 /nfs/dbraw/zinc/84/47/82/1291844782.db2.gz FBPDIQVAZKEPLG-UHFFFAOYSA-N 1 0 344.367 3.440 20 10 EGCDRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000061498079 1291974395 /nfs/dbraw/zinc/97/43/95/1291974395.db2.gz BEBNETLGNGWHOL-UHFFFAOYSA-N 1 0 325.456 3.227 20 10 EGCDRO Cc1cccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000063824281 1292025346 /nfs/dbraw/zinc/02/53/46/1292025346.db2.gz MGGJQLAULMMEHK-PTNGSMBKSA-N 1 0 332.494 3.290 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000066701288 1292127530 /nfs/dbraw/zinc/12/75/30/1292127530.db2.gz NCDVPVVGWMKQED-DLBZAZTESA-N 1 0 347.503 3.434 20 10 EGCDRO C[N@H+](CCOc1cccc(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000070827086 1292260977 /nfs/dbraw/zinc/26/09/77/1292260977.db2.gz AKHFECFTBGENLA-UHFFFAOYSA-N 1 0 335.787 3.285 20 10 EGCDRO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827639894 1292349718 /nfs/dbraw/zinc/34/97/18/1292349718.db2.gz OCNVSFGFPJPHPS-LJQANCHMSA-N 1 0 341.499 3.121 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000076074192 1292418720 /nfs/dbraw/zinc/41/87/20/1292418720.db2.gz JLWJWFUEUFJVKA-LJQANCHMSA-N 1 0 326.440 3.434 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)[C@H]1CCCO1 ZINC000828808474 1292502236 /nfs/dbraw/zinc/50/22/36/1292502236.db2.gz QCOCVDAWYPLZNI-VQTJNVASSA-N 1 0 332.488 3.349 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1O ZINC000089921886 1292781492 /nfs/dbraw/zinc/78/14/92/1292781492.db2.gz KNNBNSSKSCOIDU-UHFFFAOYSA-N 1 0 330.403 3.432 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000090182266 1292790415 /nfs/dbraw/zinc/79/04/15/1292790415.db2.gz BLFZLMKZHKEDSC-AEFFLSMTSA-N 1 0 341.499 3.481 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360316 1292917395 /nfs/dbraw/zinc/91/73/95/1292917395.db2.gz KJLHHMIRCAAAKC-CYBMUJFWSA-N 1 0 338.448 3.136 20 10 EGCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093610483 1292925171 /nfs/dbraw/zinc/92/51/71/1292925171.db2.gz JPQBOXVXNAHGCK-GOSISDBHSA-N 1 0 348.512 3.157 20 10 EGCDRO CCOc1cccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000093538447 1292926357 /nfs/dbraw/zinc/92/63/57/1292926357.db2.gz UWXZHUNFSKNKRR-UHFFFAOYSA-N 1 0 338.448 3.138 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](Nc3ccccc3)C1)OCO2 ZINC000093704441 1292929788 /nfs/dbraw/zinc/92/97/88/1292929788.db2.gz SKLWOMWBQLMZGL-INIZCTEOSA-N 1 0 326.396 3.197 20 10 EGCDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000832250635 1292976892 /nfs/dbraw/zinc/97/68/92/1292976892.db2.gz VFCLLWFAWOSZHX-OAHLLOKOSA-N 1 0 331.847 3.181 20 10 EGCDRO C[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000832273308 1292979772 /nfs/dbraw/zinc/97/97/72/1292979772.db2.gz NFFZQKDMGZMYFF-LIRRHRJNSA-N 1 0 343.446 3.202 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000108343861 1293079983 /nfs/dbraw/zinc/07/99/83/1293079983.db2.gz XZWVIQCAFPVDDJ-KRWDZBQOSA-N 1 0 325.456 3.166 20 10 EGCDRO Oc1ccccc1CN(Cc1noc2c1CCCC2)C[C@@H]1CCCO1 ZINC000111232874 1293101626 /nfs/dbraw/zinc/10/16/26/1293101626.db2.gz OGESLOZLMCBDGY-INIZCTEOSA-N 1 0 342.439 3.440 20 10 EGCDRO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1O ZINC000111236067 1293102242 /nfs/dbraw/zinc/10/22/42/1293102242.db2.gz LUTWQGZRVWSGPF-LJQANCHMSA-N 1 0 338.451 3.408 20 10 EGCDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834534174 1293112871 /nfs/dbraw/zinc/11/28/71/1293112871.db2.gz HEWXSGBASLCKLT-DLBZAZTESA-N 1 0 327.424 3.026 20 10 EGCDRO Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359236 1293147966 /nfs/dbraw/zinc/14/79/66/1293147966.db2.gz OAXOZMUOIVWEPP-MRXNPFEDSA-N 1 0 348.878 3.140 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(N2CCCCC2)cc1 ZINC000834842657 1293156983 /nfs/dbraw/zinc/15/69/83/1293156983.db2.gz BETJFACJIRHJCR-RXVVDRJESA-N 1 0 345.531 3.174 20 10 EGCDRO C[C@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCC(=O)N1 ZINC000834910521 1293174310 /nfs/dbraw/zinc/17/43/10/1293174310.db2.gz XANRGNLJDUSSLM-WIYYLYMNSA-N 1 0 338.451 3.324 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)C(=O)NCCc1ccccc1)c1ccc(C)cc1O ZINC000834913603 1293175106 /nfs/dbraw/zinc/17/51/06/1293175106.db2.gz IDNXJJXRDBGSPG-APWZRJJASA-N 1 0 340.467 3.489 20 10 EGCDRO CCCCNC(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000116279379 1293203404 /nfs/dbraw/zinc/20/34/04/1293203404.db2.gz JHGXOCPXQOBLQA-UHFFFAOYSA-N 1 0 330.428 3.294 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000120700588 1293333543 /nfs/dbraw/zinc/33/35/43/1293333543.db2.gz JCXDHVXBUGWSIT-ZIFCJYIRSA-N 1 0 332.488 3.083 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000122462947 1293413249 /nfs/dbraw/zinc/41/32/49/1293413249.db2.gz RRNGUZQBSQIGCJ-INIZCTEOSA-N 1 0 346.496 3.013 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000125715537 1293515465 /nfs/dbraw/zinc/51/54/65/1293515465.db2.gz LEVCXTXPOSALSP-UHFFFAOYSA-N 1 0 341.411 3.239 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000125747879 1293515981 /nfs/dbraw/zinc/51/59/81/1293515981.db2.gz FFBHGKYGZMIKNB-DZGCQCFKSA-N 1 0 329.410 3.430 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000154045619 1294039642 /nfs/dbraw/zinc/03/96/42/1294039642.db2.gz YCQUUXAROGPOLF-LRDDRELGSA-N 1 0 329.419 3.185 20 10 EGCDRO COc1cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c(O)cc1C ZINC000160406693 1294268126 /nfs/dbraw/zinc/26/81/26/1294268126.db2.gz SRHMXVMGMHVIFD-HXUWFJFHSA-N 1 0 327.424 3.457 20 10 EGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000163002631 1294326269 /nfs/dbraw/zinc/32/62/69/1294326269.db2.gz NSMZAQJRWFZJPW-INIZCTEOSA-N 1 0 348.805 3.422 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cc(C)cc(C)c1O ZINC000164220770 1294345772 /nfs/dbraw/zinc/34/57/72/1294345772.db2.gz MJZGHUHAHZUVTK-UHFFFAOYSA-N 1 0 342.439 3.359 20 10 EGCDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000166708022 1294363756 /nfs/dbraw/zinc/36/37/56/1294363756.db2.gz SBALUYGTVMYYNU-SFHVURJKSA-N 1 0 333.520 3.296 20 10 EGCDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1ccccc1O ZINC000176763114 1294629948 /nfs/dbraw/zinc/62/99/48/1294629948.db2.gz YPYWKKYGZYHHHB-UHFFFAOYSA-N 1 0 348.830 3.481 20 10 EGCDRO COc1ccc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)cc1F ZINC000179602867 1294808182 /nfs/dbraw/zinc/80/81/82/1294808182.db2.gz AMJIBELYBNURTO-UHFFFAOYSA-N 1 0 344.430 3.166 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000179989969 1294849551 /nfs/dbraw/zinc/84/95/51/1294849551.db2.gz NENOGZKWVDDEJT-UHFFFAOYSA-N 1 0 333.476 3.195 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)OCc2ccccc2)c1 ZINC000181507248 1294975320 /nfs/dbraw/zinc/97/53/20/1294975320.db2.gz VMHKKOBBTQEAIE-CQSZACIVSA-N 1 0 329.396 3.185 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2C)c1 ZINC000182319887 1295035485 /nfs/dbraw/zinc/03/54/85/1295035485.db2.gz FULBQJPMZPEOBP-CQSZACIVSA-N 1 0 328.412 3.307 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000182699503 1295068610 /nfs/dbraw/zinc/06/86/10/1295068610.db2.gz WTGWIJIYIUENNB-LSDHHAIUSA-N 1 0 349.475 3.026 20 10 EGCDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183163819 1295102829 /nfs/dbraw/zinc/10/28/29/1295102829.db2.gz MZYDDYGEMMDPBL-UHFFFAOYSA-N 1 0 343.423 3.403 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)c1ccccc1 ZINC000183363947 1295114401 /nfs/dbraw/zinc/11/44/01/1295114401.db2.gz LIDQPICTXZGGLM-DLBZAZTESA-N 1 0 339.483 3.151 20 10 EGCDRO Cc1cc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)o1 ZINC000183778219 1295142674 /nfs/dbraw/zinc/14/26/74/1295142674.db2.gz PYRYZGGUOQXUCH-HNNXBMFYSA-N 1 0 343.471 3.272 20 10 EGCDRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000186114531 1295305422 /nfs/dbraw/zinc/30/54/22/1295305422.db2.gz JLEMWPUPPMYXOE-CQSZACIVSA-N 1 0 331.412 3.447 20 10 EGCDRO C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1O ZINC000186401273 1295324145 /nfs/dbraw/zinc/32/41/45/1295324145.db2.gz TWBSIYTYRKDPOZ-AWEZNQCLSA-N 1 0 329.419 3.456 20 10 EGCDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000191710968 1295704003 /nfs/dbraw/zinc/70/40/03/1295704003.db2.gz WNHGJSWZFSRHHF-DYESRHJHSA-N 1 0 326.484 3.472 20 10 EGCDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000193438436 1295869005 /nfs/dbraw/zinc/86/90/05/1295869005.db2.gz MILRJZLVDMAULI-UHFFFAOYSA-N 1 0 336.435 3.398 20 10 EGCDRO CC(C)[C@@H](C[NH2+]Cc1cc(Br)ccc1O)N1CCCC1 ZINC000227436858 1296143866 /nfs/dbraw/zinc/14/38/66/1296143866.db2.gz BUTSCXIUJNBGRL-OAHLLOKOSA-N 1 0 341.293 3.365 20 10 EGCDRO CCCCNC(=O)C1([NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000236781263 1296203750 /nfs/dbraw/zinc/20/37/50/1296203750.db2.gz DJXNLWXOFYDIKF-UHFFFAOYSA-N 1 0 330.472 3.330 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1 ZINC000238068361 1296278173 /nfs/dbraw/zinc/27/81/73/1296278173.db2.gz VMZNZFLURDULKH-INIZCTEOSA-N 1 0 337.341 3.464 20 10 EGCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000247559669 1296397398 /nfs/dbraw/zinc/39/73/98/1296397398.db2.gz ZYHQCRIHWXZSBN-CABCVRRESA-N 1 0 349.475 3.026 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2O)[C@H]1Oc1ccccc1 ZINC000249452894 1296444730 /nfs/dbraw/zinc/44/47/30/1296444730.db2.gz OYATZEJIVHUBHA-NLWGTHIKSA-N 1 0 327.424 3.415 20 10 EGCDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000261796334 1296603143 /nfs/dbraw/zinc/60/31/43/1296603143.db2.gz LKLQPEWVZAJWEB-IUODEOHRSA-N 1 0 329.419 3.043 20 10 EGCDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(C)n1-c1ccccc1C ZINC000261924510 1296608409 /nfs/dbraw/zinc/60/84/09/1296608409.db2.gz IYCKFQWCCMFBHN-YOEHRIQHSA-N 1 0 325.456 3.212 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccccc1C ZINC000262661618 1296644644 /nfs/dbraw/zinc/64/46/44/1296644644.db2.gz ZKDVVSJBLKKWKI-MSOLQXFVSA-N 1 0 337.467 3.369 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000872137161 1296762579 /nfs/dbraw/zinc/76/25/79/1296762579.db2.gz OFFKLDYMMRNHCT-PJSUUKDQSA-N 1 0 345.439 3.491 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000303858303 1296860380 /nfs/dbraw/zinc/86/03/80/1296860380.db2.gz GUJAZOFOFZGRGF-IBGZPJMESA-N 1 0 325.456 3.260 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000305156756 1296987011 /nfs/dbraw/zinc/98/70/11/1296987011.db2.gz VXPJUVVJUWHRKX-HNNXBMFYSA-N 1 0 344.430 3.005 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000324827549 1297216067 /nfs/dbraw/zinc/21/60/67/1297216067.db2.gz OZBNJNVLEFRESV-LJQANCHMSA-N 1 0 325.456 3.191 20 10 EGCDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000325542034 1297227381 /nfs/dbraw/zinc/22/73/81/1297227381.db2.gz HAZYDWIUXCVWQV-CYBMUJFWSA-N 1 0 329.396 3.193 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1Cn1cccn1 ZINC000873103417 1297273188 /nfs/dbraw/zinc/27/31/88/1297273188.db2.gz BVPGHNDPGLJGSK-DLBZAZTESA-N 1 0 343.471 3.235 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1Cn1cccn1 ZINC000873120205 1297280292 /nfs/dbraw/zinc/28/02/92/1297280292.db2.gz UZFWNLDAOSSCLC-HNNXBMFYSA-N 1 0 335.398 3.465 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1Cn1cccn1 ZINC000873120206 1297280943 /nfs/dbraw/zinc/28/09/43/1297280943.db2.gz UZFWNLDAOSSCLC-OAHLLOKOSA-N 1 0 335.398 3.465 20 10 EGCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000389790361 1297611596 /nfs/dbraw/zinc/61/15/96/1297611596.db2.gz LKMCFATWQKPYTM-PBHICJAKSA-N 1 0 346.471 3.357 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000393828087 1297672181 /nfs/dbraw/zinc/67/21/81/1297672181.db2.gz IQKZQINADRHXIM-CABCVRRESA-N 1 0 332.444 3.272 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CCSC(F)(F)F ZINC000706843227 1298223982 /nfs/dbraw/zinc/22/39/82/1298223982.db2.gz OONCVYRTHZKKDN-UHFFFAOYSA-N 1 0 330.169 3.497 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000715139436 1298278067 /nfs/dbraw/zinc/27/80/67/1298278067.db2.gz GCAQMIGNGWGEDE-YEORSEQZSA-N 1 0 340.851 3.439 20 10 EGCDRO Cc1ccccc1C[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506665 1298798094 /nfs/dbraw/zinc/79/80/94/1298798094.db2.gz NLRSZRQCFDXVNL-OXJNMPFZSA-N 1 0 339.483 3.056 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)cc2)CC1 ZINC000876514207 1298800248 /nfs/dbraw/zinc/80/02/48/1298800248.db2.gz UTATXGFVJWNXRV-FQEVSTJZSA-N 1 0 325.456 3.313 20 10 EGCDRO Nc1c(F)cccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876531643 1298809391 /nfs/dbraw/zinc/80/93/91/1298809391.db2.gz LERGDKWSGZWNLC-INIZCTEOSA-N 1 0 330.403 3.295 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000876639882 1298888475 /nfs/dbraw/zinc/88/84/75/1298888475.db2.gz XPRZWLMYYBQRSE-UHFFFAOYSA-N 1 0 330.453 3.157 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(O)c1 ZINC000876654618 1298900691 /nfs/dbraw/zinc/90/06/91/1298900691.db2.gz KSVYLVWDFZBFEA-KRWDZBQOSA-N 1 0 343.402 3.236 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000876662873 1298905464 /nfs/dbraw/zinc/90/54/64/1298905464.db2.gz PKPDHJBFQPBICX-KRWDZBQOSA-N 1 0 338.451 3.343 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000748463385 1299014967 /nfs/dbraw/zinc/01/49/67/1299014967.db2.gz PPOROUPSPYKMTI-SFHVURJKSA-N 1 0 341.455 3.275 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000748527470 1299030899 /nfs/dbraw/zinc/03/08/99/1299030899.db2.gz QXPSEIARIRCAON-GOSISDBHSA-N 1 0 343.515 3.366 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000876994767 1299105569 /nfs/dbraw/zinc/10/55/69/1299105569.db2.gz MSNYERYHUOOTDA-HNNXBMFYSA-N 1 0 334.460 3.437 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)c(O)c1 ZINC000876998979 1299108282 /nfs/dbraw/zinc/10/82/82/1299108282.db2.gz PGDDWAXHZFVJMX-IBGZPJMESA-N 1 0 338.451 3.024 20 10 EGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877035789 1299125032 /nfs/dbraw/zinc/12/50/32/1299125032.db2.gz JUTPPILLHKRVBU-LPHOPBHVSA-N 1 0 334.529 3.412 20 10 EGCDRO Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)c(O)c1 ZINC000877038424 1299126374 /nfs/dbraw/zinc/12/63/74/1299126374.db2.gz PFCRQIPVESKTPR-HNNXBMFYSA-N 1 0 330.815 3.249 20 10 EGCDRO Cc1ccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC000877082072 1299149269 /nfs/dbraw/zinc/14/92/69/1299149269.db2.gz MWQHUNSPKQBJIF-UHFFFAOYSA-N 1 0 330.394 3.455 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCSCC(F)(F)F)cc2)CC1 ZINC000877120988 1299166819 /nfs/dbraw/zinc/16/68/19/1299166819.db2.gz WRJBXMOKUJTQHK-UHFFFAOYSA-N 1 0 348.434 3.033 20 10 EGCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Br)ccc1O ZINC000749287220 1299186916 /nfs/dbraw/zinc/18/69/16/1299186916.db2.gz FGSSRJRJNDQOFY-UHFFFAOYSA-N 1 0 344.249 3.366 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](CCCO)CC(C)(C)C)c1[O-] ZINC000750044858 1299328085 /nfs/dbraw/zinc/32/80/85/1299328085.db2.gz JXXDSIDJEGXDIT-UHFFFAOYSA-N 1 0 327.852 3.479 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4ccccn4)C3)cc2)CC1 ZINC000877501243 1299350153 /nfs/dbraw/zinc/35/01/53/1299350153.db2.gz NLFFJXSSEWSUQX-GOSISDBHSA-N 1 0 337.467 3.032 20 10 EGCDRO CO[C@]1(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000877523383 1299367198 /nfs/dbraw/zinc/36/71/98/1299367198.db2.gz YLAIPGZDZLIJFN-FQEVSTJZSA-N 1 0 344.455 3.153 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CCSC4)C3)cc2)CC1 ZINC000877575489 1299408820 /nfs/dbraw/zinc/40/88/20/1299408820.db2.gz WIENQWJLNCQZIK-FQEVSTJZSA-N 1 0 346.540 3.367 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000877574159 1299408956 /nfs/dbraw/zinc/40/89/56/1299408956.db2.gz BTCIHXKJEXPMFR-CABCVRRESA-N 1 0 334.460 3.484 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1O ZINC000877756459 1299532910 /nfs/dbraw/zinc/53/29/10/1299532910.db2.gz JSELGCAXXXBILT-CBGDNZLLSA-N 1 0 340.467 3.332 20 10 EGCDRO Cc1cc(O)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1Cl ZINC000877844044 1299606285 /nfs/dbraw/zinc/60/62/85/1299606285.db2.gz XSSAWBOTHKNBER-CQSZACIVSA-N 1 0 327.775 3.200 20 10 EGCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)Nc1ccccn1 ZINC000878103731 1299750723 /nfs/dbraw/zinc/75/07/23/1299750723.db2.gz NRPWVMNFDSTWON-UHFFFAOYSA-N 1 0 325.412 3.171 20 10 EGCDRO C[C@@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000753566724 1299975585 /nfs/dbraw/zinc/97/55/85/1299975585.db2.gz UKCHSDIOMLCOCF-FQEVSTJZSA-N 1 0 327.424 3.487 20 10 EGCDRO Cc1cc(CC(=O)NCCC[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000755708035 1300382658 /nfs/dbraw/zinc/38/26/58/1300382658.db2.gz OBAHBQLKNPUYDR-UHFFFAOYSA-N 1 0 347.890 3.358 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c2c1c(F)ccc2O ZINC000756369185 1300476935 /nfs/dbraw/zinc/47/69/35/1300476935.db2.gz RRUQABRVASCEOT-DSJMHWKBSA-N 1 0 336.451 3.169 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756456574 1300495896 /nfs/dbraw/zinc/49/58/96/1300495896.db2.gz YNIQNXVHIGEWRC-DLBZAZTESA-N 1 0 329.440 3.408 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCCC2)c2c1c(F)ccc2O ZINC000756507588 1300510577 /nfs/dbraw/zinc/51/05/77/1300510577.db2.gz CVDVKLPCXQHYEG-UKRRQHHQSA-N 1 0 334.435 3.462 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)c(O)c1C ZINC000756508892 1300510839 /nfs/dbraw/zinc/51/08/39/1300510839.db2.gz JPQCMPNCLPGODA-INIZCTEOSA-N 1 0 326.440 3.366 20 10 EGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000756530307 1300515107 /nfs/dbraw/zinc/51/51/07/1300515107.db2.gz XBWUHSMGOWPQME-XJKSGUPXSA-N 1 0 332.444 3.152 20 10 EGCDRO C[C@H]([NH2+]CCOc1cccnc1)c1cc(Br)ccc1O ZINC000756570149 1300522676 /nfs/dbraw/zinc/52/26/76/1300522676.db2.gz AMTLYGOBMYVVBR-NSHDSACASA-N 1 0 337.217 3.279 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)c2c1c(F)ccc2O ZINC000756575900 1300525374 /nfs/dbraw/zinc/52/53/74/1300525374.db2.gz RDJCGJFWIYZUQV-JSGCOSHPSA-N 1 0 334.435 3.318 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2c1c(F)ccc2O ZINC000756587781 1300527314 /nfs/dbraw/zinc/52/73/14/1300527314.db2.gz CKYXNOISUVUKNU-WBMJQRKESA-N 1 0 338.386 3.450 20 10 EGCDRO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(Br)cc1O ZINC000756619259 1300532984 /nfs/dbraw/zinc/53/29/84/1300532984.db2.gz XCTZKMZKXRGIDO-RYUDHWBXSA-N 1 0 327.266 3.290 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cn3cccc(C)c3n2)c1 ZINC000756627916 1300534997 /nfs/dbraw/zinc/53/49/97/1300534997.db2.gz IVIPPNJTTXONQL-CQSZACIVSA-N 1 0 325.412 3.250 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c2c1c(F)ccc2O ZINC000756657699 1300542564 /nfs/dbraw/zinc/54/25/64/1300542564.db2.gz FNCLJGPCXQXDHH-IWCQGFGOSA-N 1 0 348.462 3.313 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000756765670 1300562352 /nfs/dbraw/zinc/56/23/52/1300562352.db2.gz QJDUONTWJJMRMC-TZMCWYRMSA-N 1 0 325.836 3.424 20 10 EGCDRO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Br)cc1O ZINC000756776840 1300565069 /nfs/dbraw/zinc/56/50/69/1300565069.db2.gz SIKIFYYGAWLSGV-APPZFPTMSA-N 1 0 342.155 3.119 20 10 EGCDRO CC1(C)OCC([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CO1 ZINC000758010571 1300769965 /nfs/dbraw/zinc/76/99/65/1300769965.db2.gz OXQYVWJLAAQIQH-UHFFFAOYSA-N 1 0 343.423 3.212 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000758528848 1300904132 /nfs/dbraw/zinc/90/41/32/1300904132.db2.gz OBWCDWVQEFINCF-YLJYHZDGSA-N 1 0 345.414 3.186 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)ccc1O ZINC000760040922 1301212466 /nfs/dbraw/zinc/21/24/66/1301212466.db2.gz MXCVNCWZHCJRGR-KHDYIWLOSA-N 1 0 333.378 3.487 20 10 EGCDRO CCN(CC[NH+]1CCCC1)Cc1cc(Br)ccc1O ZINC000760841975 1301348676 /nfs/dbraw/zinc/34/86/76/1301348676.db2.gz UGBRAYGXSVMFSG-UHFFFAOYSA-N 1 0 327.266 3.072 20 10 EGCDRO CN(Cc1cnn(C(C)(C)C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222227 1301422557 /nfs/dbraw/zinc/42/25/57/1301422557.db2.gz RLVZAQIVQRDLIY-UHFFFAOYSA-N 1 0 330.476 3.215 20 10 EGCDRO COc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc(OC)c1 ZINC000761219775 1301423046 /nfs/dbraw/zinc/42/30/46/1301423046.db2.gz CHUFTMTVTAOXDA-UHFFFAOYSA-N 1 0 344.455 3.281 20 10 EGCDRO CN(Cc1nc2ccccc2n1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222312 1301423414 /nfs/dbraw/zinc/42/34/14/1301423414.db2.gz SVKZDNJVRUWUJZ-UHFFFAOYSA-N 1 0 338.455 3.150 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCOCC3(CCC3)C2)c1O ZINC000761225795 1301424219 /nfs/dbraw/zinc/42/42/19/1301424219.db2.gz LTOPIBURKKPDOE-UHFFFAOYSA-N 1 0 340.261 3.466 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648468 1301721493 /nfs/dbraw/zinc/72/14/93/1301721493.db2.gz IZWKVLOXIFDFCC-LZWOXQAQSA-N 1 0 336.451 3.170 20 10 EGCDRO CO[C@]1(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)CCOC1 ZINC000763480432 1301911681 /nfs/dbraw/zinc/91/16/81/1301911681.db2.gz OGVYYWSBOBWMHC-FQEVSTJZSA-N 1 0 328.456 3.298 20 10 EGCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CCOC1 ZINC000763571558 1301926849 /nfs/dbraw/zinc/92/68/49/1301926849.db2.gz JVUJFWZZBRBDSY-HNAYVOBHSA-N 1 0 336.451 3.272 20 10 EGCDRO CC[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[NH+](C)C ZINC000764386072 1302055219 /nfs/dbraw/zinc/05/52/19/1302055219.db2.gz HCUJZGJICVJLGA-LJQANCHMSA-N 1 0 331.504 3.412 20 10 EGCDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(N(C)C)cc1 ZINC000764565137 1302090753 /nfs/dbraw/zinc/09/07/53/1302090753.db2.gz YZOKVWZUPIBGKO-GOSISDBHSA-N 1 0 345.531 3.438 20 10 EGCDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764889234 1302158620 /nfs/dbraw/zinc/15/86/20/1302158620.db2.gz KNAZBIOYJHXAMN-GJZGRUSLSA-N 1 0 348.878 3.112 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000764884464 1302159485 /nfs/dbraw/zinc/15/94/85/1302159485.db2.gz KNFYHPNBTIDFAZ-IBGZPJMESA-N 1 0 340.471 3.065 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000764934626 1302170423 /nfs/dbraw/zinc/17/04/23/1302170423.db2.gz VQBGNMBRCNYTTR-QZTJIDSGSA-N 1 0 345.531 3.374 20 10 EGCDRO Oc1ccc2ccncc2c1CN1CC[NH+](C2CCCCC2)CC1 ZINC000765118147 1302206699 /nfs/dbraw/zinc/20/66/99/1302206699.db2.gz JUVYDSNYHUFXAA-UHFFFAOYSA-N 1 0 325.456 3.391 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)C ZINC000765128994 1302208284 /nfs/dbraw/zinc/20/82/84/1302208284.db2.gz ZBRWGTBAIYVZGR-RVKKMQEKSA-N 1 0 338.467 3.200 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(C3(C)OCCO3)c2)cc1F ZINC000883127878 1302264191 /nfs/dbraw/zinc/26/41/91/1302264191.db2.gz LCYXDHMDJRVPJN-UHFFFAOYSA-N 1 0 344.430 3.401 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883146161 1302271850 /nfs/dbraw/zinc/27/18/50/1302271850.db2.gz CNRHQWDYCXQCTH-AWEZNQCLSA-N 1 0 340.423 3.481 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000765786775 1302326942 /nfs/dbraw/zinc/32/69/42/1302326942.db2.gz IQGCNKFAFKOLME-HZPDHXFCSA-N 1 0 330.394 3.468 20 10 EGCDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765951587 1302356274 /nfs/dbraw/zinc/35/62/74/1302356274.db2.gz KWFWIVCRWGIVRG-CQSZACIVSA-N 1 0 338.879 3.132 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765973073 1302359011 /nfs/dbraw/zinc/35/90/11/1302359011.db2.gz BPJGXLGMQJGPHG-RTWAWAEBSA-N 1 0 345.531 3.437 20 10 EGCDRO Cc1nc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)s1 ZINC000883289178 1302368115 /nfs/dbraw/zinc/36/81/15/1302368115.db2.gz GZQCVXFPMWDCLG-CQSZACIVSA-N 1 0 344.528 3.363 20 10 EGCDRO CCOC(=O)C1CC[NH+](Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000768138441 1302833717 /nfs/dbraw/zinc/83/37/17/1302833717.db2.gz VSRMXSBEXCTQAO-UHFFFAOYSA-N 1 0 336.451 3.447 20 10 EGCDRO CCOc1ccc(C[N@H+](CC)C[C@@H]2COc3ccccc3O2)c(O)c1 ZINC000768178235 1302845328 /nfs/dbraw/zinc/84/53/28/1302845328.db2.gz FZYNBNYDGSVUNS-QGZVFWFLSA-N 1 0 343.423 3.453 20 10 EGCDRO CCN(CC)c1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000768252154 1302866876 /nfs/dbraw/zinc/86/68/76/1302866876.db2.gz YGJQNPFTFMOFST-NRFANRHFSA-N 1 0 345.531 3.220 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768445839 1302907063 /nfs/dbraw/zinc/90/70/63/1302907063.db2.gz INACFCXPJCRWMM-IFXJQAMLSA-N 1 0 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Cc1cc(C[NH+](C)C)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000779543595 1304582601 /nfs/dbraw/zinc/58/26/01/1304582601.db2.gz XLWPNFQSCIIWMR-ALCCZGGFSA-N 1 0 326.396 3.120 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]CCCOCCO)c(O)c(C(C)(C)C)c1 ZINC000780008702 1304629943 /nfs/dbraw/zinc/62/99/43/1304629943.db2.gz UMZNCBBZSXWQKD-UHFFFAOYSA-N 1 0 337.504 3.476 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CO)c2cccc(F)c2)c1O ZINC000782063379 1304909932 /nfs/dbraw/zinc/90/99/32/1304909932.db2.gz VGCLADRMTPAGHS-MRXNPFEDSA-N 1 0 337.778 3.211 20 10 EGCDRO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccs1 ZINC000891251528 1305000752 /nfs/dbraw/zinc/00/07/52/1305000752.db2.gz FYIDPXFEEKETNF-RHSMWYFYSA-N 1 0 345.512 3.337 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCCC1 ZINC000783224561 1305064936 /nfs/dbraw/zinc/06/49/36/1305064936.db2.gz SXKWZFGEBMLEPB-OAQYLSRUSA-N 1 0 346.515 3.190 20 10 EGCDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2O)ccc1OCCO ZINC000783504439 1305100078 /nfs/dbraw/zinc/10/00/78/1305100078.db2.gz MSRJIWFQHPFJBH-UONOGXRCSA-N 1 0 331.412 3.184 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000783594041 1305113623 /nfs/dbraw/zinc/11/36/23/1305113623.db2.gz STQHPRYISPWOCI-UHFFFAOYSA-N 1 0 328.412 3.148 20 10 EGCDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCC2)c(C)n1-c1ccc(F)cc1 ZINC000783751582 1305140132 /nfs/dbraw/zinc/14/01/32/1305140132.db2.gz NZCHTCKSAUHNAG-UHFFFAOYSA-N 1 0 343.446 3.447 20 10 EGCDRO COc1ccc(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c(O)c1OC ZINC000891735765 1305151373 /nfs/dbraw/zinc/15/13/73/1305151373.db2.gz NXBWJBVVSFDYAA-INMHGKMJSA-N 1 0 348.487 3.247 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000891776237 1305161793 /nfs/dbraw/zinc/16/17/93/1305161793.db2.gz YKELFSRQNDMNEC-UHFFFAOYSA-N 1 0 330.403 3.252 20 10 EGCDRO CC(C)[C@H](F)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000784442016 1305244905 /nfs/dbraw/zinc/24/49/05/1305244905.db2.gz KOKJKSSPRLGQKX-ZBFHGGJFSA-N 1 0 342.842 3.120 20 10 EGCDRO Fc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)ccc1N1CCOCC1 ZINC000784664657 1305269602 /nfs/dbraw/zinc/26/96/02/1305269602.db2.gz OJQISSKIIPFYOC-HXUWFJFHSA-N 1 0 348.462 3.053 20 10 EGCDRO COc1ccc(CNc2ccc(CC[NH+](C)C)cc2)c(O)c1OC ZINC000892353972 1305330590 /nfs/dbraw/zinc/33/05/90/1305330590.db2.gz GSXDBVGZHWJCIU-UHFFFAOYSA-N 1 0 330.428 3.126 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892609165 1305469204 /nfs/dbraw/zinc/46/92/04/1305469204.db2.gz WGYGDMUCVZPWMK-UHFFFAOYSA-N 1 0 331.412 3.488 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2F)c(O)c1OC ZINC000893088607 1305700215 /nfs/dbraw/zinc/70/02/15/1305700215.db2.gz RITNHVMYQVDPMZ-LBPRGKRZSA-N 1 0 335.375 3.106 20 10 EGCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000787422665 1305742825 /nfs/dbraw/zinc/74/28/25/1305742825.db2.gz IJLKWSUALBWGPN-HQRMLTQVSA-N 1 0 336.435 3.145 20 10 EGCDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000788564147 1305971931 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C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000790502676 1306338850 /nfs/dbraw/zinc/33/88/50/1306338850.db2.gz OOXVAIJTPAUFPK-MRXNPFEDSA-N 1 0 346.519 3.235 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CC(C)C)CN2CCCC2)c(O)c1OC ZINC000894669254 1309014848 /nfs/dbraw/zinc/01/48/48/1309014848.db2.gz XVOWVJRFWWIIGQ-INIZCTEOSA-N 1 0 336.476 3.010 20 10 EGCDRO COc1cc(C)cc(CN(CC[NH+](C)C)Cc2cccs2)c1O ZINC000894771701 1309061382 /nfs/dbraw/zinc/06/13/82/1309061382.db2.gz RQIRONUUGQTNAX-UHFFFAOYSA-N 1 0 334.485 3.335 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCCc2cccnc2)c(O)c1OC ZINC000894846067 1309097416 /nfs/dbraw/zinc/09/74/16/1309097416.db2.gz SFEVNSANBMPPQL-AWEZNQCLSA-N 1 0 330.428 3.305 20 10 EGCDRO CCN(C)c1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000792175669 1309137516 /nfs/dbraw/zinc/13/75/16/1309137516.db2.gz XSAVFOSOZXXBRG-UHFFFAOYSA-N 1 0 342.487 3.115 20 10 EGCDRO Cc1[nH+]ccc(NCc2ccc(N3CCOCC3)c(F)c2)c1Cl ZINC000792693238 1309209778 /nfs/dbraw/zinc/20/97/78/1309209778.db2.gz 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346.515 3.293 20 10 EGCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000796281951 1309951449 /nfs/dbraw/zinc/95/14/49/1309951449.db2.gz JBFHFJWRDBRREQ-UHFFFAOYSA-N 1 0 326.440 3.376 20 10 EGCDRO COC[C@@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)OC ZINC000796342241 1309971316 /nfs/dbraw/zinc/97/13/16/1309971316.db2.gz IIUZJZXVRGUHED-HXUWFJFHSA-N 1 0 340.467 3.000 20 10 EGCDRO CCC[C@]1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOC1 ZINC000796489744 1310013188 /nfs/dbraw/zinc/01/31/88/1310013188.db2.gz CBUREYSPMKFBIA-HNNXBMFYSA-N 1 0 344.249 3.212 20 10 EGCDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000797096790 1310140298 /nfs/dbraw/zinc/14/02/98/1310140298.db2.gz MFSDNVLVFWENFW-CQSZACIVSA-N 1 0 346.471 3.400 20 10 EGCDRO O[C@H]1CCOC2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C1 ZINC000897261701 1310252013 /nfs/dbraw/zinc/25/20/13/1310252013.db2.gz KOTVNPFFRUFDJG-FQEVSTJZSA-N 1 0 344.499 3.183 20 10 EGCDRO COc1cccc(O)c1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000798504690 1310374997 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/nfs/dbraw/zinc/35/29/64/1320352964.db2.gz ULYHZIDHPRXSBD-UHFFFAOYSA-N 1 0 332.238 3.034 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000825973946 1320375986 /nfs/dbraw/zinc/37/59/86/1320375986.db2.gz VAJHMBFVSSQDBC-SFHVURJKSA-N 1 0 325.456 3.095 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)(C)C ZINC000802648749 1317021311 /nfs/dbraw/zinc/02/13/11/1317021311.db2.gz PXYMDNGTXMENHU-NVXWUHKLSA-N 1 0 331.504 3.160 20 10 EGCDRO O=C(C1=CC(=O)CS1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899446411 1317041082 /nfs/dbraw/zinc/04/10/82/1317041082.db2.gz HBLFHHOCKHXVGD-JKSUJKDBSA-N 1 0 342.464 3.048 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=S)Nc2ccsc2)[NH+](C)C)cc1 ZINC000899724422 1317139290 /nfs/dbraw/zinc/13/92/90/1317139290.db2.gz NFXFJWQUNPIABL-MRXNPFEDSA-N 1 0 348.541 3.403 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCc2cn3ccccc3n2)cc1F ZINC000858096221 1328681054 /nfs/dbraw/zinc/68/10/54/1328681054.db2.gz WMAAHTNUTFFHOL-UHFFFAOYSA-N 1 0 330.382 3.011 20 10 EGCDRO Cc1nc(C)c(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000858132279 1328690684 /nfs/dbraw/zinc/69/06/84/1328690684.db2.gz YRQUXSMANXCAFE-UHFFFAOYSA-N 1 0 325.428 3.436 20 10 EGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858155781 1328698554 /nfs/dbraw/zinc/69/85/54/1328698554.db2.gz IKUHVHKVOVSHID-XHDPSFHLSA-N 1 0 328.250 3.448 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@@H](C)C3CC3)C2)cc1C ZINC001019829148 1317440855 /nfs/dbraw/zinc/44/08/55/1317440855.db2.gz NODTZIPNOORTMS-KDOFPFPSSA-N 1 0 330.472 3.130 20 10 EGCDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000806170375 1317468355 /nfs/dbraw/zinc/46/83/55/1317468355.db2.gz ZJJPPDXONYYBRL-GJZGRUSLSA-N 1 0 340.895 3.092 20 10 EGCDRO CC1(C)C[C@H](C[NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858175457 1328703317 /nfs/dbraw/zinc/70/33/17/1328703317.db2.gz PGJXBQKRMIIENP-LLVKDONJSA-N 1 0 328.250 3.450 20 10 EGCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000902761847 1317613830 /nfs/dbraw/zinc/61/38/30/1317613830.db2.gz ATKZPFJEROGWIE-TZIWHRDSSA-N 1 0 346.515 3.333 20 10 EGCDRO COCCOCC[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000808237227 1317650070 /nfs/dbraw/zinc/65/00/70/1317650070.db2.gz HITOFMDFLLCDOJ-UHFFFAOYSA-N 1 0 333.428 3.112 20 10 EGCDRO COc1cccc(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c1O ZINC000808427011 1317675003 /nfs/dbraw/zinc/67/50/03/1317675003.db2.gz UTTDOCGFLJVCRK-AWEZNQCLSA-N 1 0 341.329 3.243 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1 ZINC000808447638 1317679166 /nfs/dbraw/zinc/67/91/66/1317679166.db2.gz SHNALBKJWISBEJ-HLAWJBBLSA-N 1 0 343.515 3.269 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H]2COc3ccccc32)ccc1OC ZINC000808451275 1317679435 /nfs/dbraw/zinc/67/94/35/1317679435.db2.gz KTUZJOIGMPZZKU-QGZVFWFLSA-N 1 0 327.424 3.498 20 10 EGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448022 1317701033 /nfs/dbraw/zinc/70/10/33/1317701033.db2.gz HZPQAHCMLXDKAI-FFZOFVMBSA-N 1 0 333.520 3.150 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1 ZINC000903448073 1317701828 /nfs/dbraw/zinc/70/18/28/1317701828.db2.gz JCASWCOFWZMHCC-VQTJNVASSA-N 1 0 326.488 3.491 20 10 EGCDRO Cc1nc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000903449651 1317701833 /nfs/dbraw/zinc/70/18/33/1317701833.db2.gz ZAIDLLBOTPIAHF-ACJLOTCBSA-N 1 0 332.517 3.471 20 10 EGCDRO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449440 1317702212 /nfs/dbraw/zinc/70/22/12/1317702212.db2.gz YSSKXVQTFXLCJG-UZLBHIALSA-N 1 0 326.488 3.410 20 10 EGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)cn1 ZINC000903448184 1317702499 /nfs/dbraw/zinc/70/24/99/1317702499.db2.gz LSUWBMHTRYVEOY-IFXJQAMLSA-N 1 0 330.451 3.240 20 10 EGCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808680281 1317714983 /nfs/dbraw/zinc/71/49/83/1317714983.db2.gz JWUBTJAVJTWXDS-NSHDSACASA-N 1 0 326.824 3.235 20 10 EGCDRO COCCN1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808681162 1317715554 /nfs/dbraw/zinc/71/55/54/1317715554.db2.gz VUSPNBWPNDKBIY-ZDUSSCGKSA-N 1 0 326.868 3.115 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1O ZINC000808715146 1317720199 /nfs/dbraw/zinc/72/01/99/1317720199.db2.gz ANJQFHFIEBBHTC-CYBMUJFWSA-N 1 0 346.862 3.464 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000808712961 1317721354 /nfs/dbraw/zinc/72/13/54/1317721354.db2.gz CSODUMWYMOIFDK-GFCCVEGCSA-N 1 0 333.881 3.220 20 10 EGCDRO CCc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020551320 1317763578 /nfs/dbraw/zinc/76/35/78/1317763578.db2.gz LHLBFYDHFWTVOH-QAQDUYKDSA-N 1 0 342.439 3.210 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809698826 1317868174 /nfs/dbraw/zinc/86/81/74/1317868174.db2.gz HBEKOEGLNAWMHV-NEWSRXKRSA-N 1 0 339.435 3.405 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000809728803 1317880755 /nfs/dbraw/zinc/88/07/55/1317880755.db2.gz IIMNLIOBWGXMAL-AWEZNQCLSA-N 1 0 329.356 3.041 20 10 EGCDRO COc1cccc(O)c1CN(CCc1ccccc1)CC[NH+](C)C ZINC000809730915 1317881466 /nfs/dbraw/zinc/88/14/66/1317881466.db2.gz KDAPCCYTLRUFMV-UHFFFAOYSA-N 1 0 328.456 3.007 20 10 EGCDRO CCOc1ccc(CN(CC[NH+](C)C)Cc2cccs2)c(O)c1 ZINC000809746059 1317888672 /nfs/dbraw/zinc/88/86/72/1317888672.db2.gz LXZSAOLDEWOIIF-UHFFFAOYSA-N 1 0 334.485 3.416 20 10 EGCDRO CN(C)c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000809999895 1317934465 /nfs/dbraw/zinc/93/44/65/1317934465.db2.gz BDHSNSGOICCRHA-OAQYLSRUSA-N 1 0 340.467 3.423 20 10 EGCDRO COC[C@@]1(C[NH2+]Cc2ccc(OC)c(C)c2)OCCc2ccccc21 ZINC000810158012 1317965948 /nfs/dbraw/zinc/96/59/48/1317965948.db2.gz GXMOIMIOHJYJLB-OAQYLSRUSA-N 1 0 341.451 3.208 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1F ZINC000810165466 1317966803 /nfs/dbraw/zinc/96/68/03/1317966803.db2.gz SXERKXLYPSGAEC-YLJYHZDGSA-N 1 0 328.431 3.148 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c(O)c1 ZINC000810169443 1317967893 /nfs/dbraw/zinc/96/78/93/1317967893.db2.gz XOGZUMBFRGUTPR-UHFFFAOYSA-N 1 0 341.455 3.384 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccc(C(F)(F)F)cc1O ZINC000810225649 1317979754 /nfs/dbraw/zinc/97/97/54/1317979754.db2.gz JPHCORVMOPPSBG-UONOGXRCSA-N 1 0 344.377 3.461 20 10 EGCDRO CC[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810235086 1317982603 /nfs/dbraw/zinc/98/26/03/1317982603.db2.gz LTOFPBZUZJWREY-LSDHHAIUSA-N 1 0 347.377 3.239 20 10 EGCDRO CSC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC[NH+](C)CC1 ZINC000810252534 1317986587 /nfs/dbraw/zinc/98/65/87/1317986587.db2.gz QRMVBZFYSONRSS-NSHDSACASA-N 1 0 330.444 3.148 20 10 EGCDRO Cc1nc(CC2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)no1 ZINC000905735149 1317987924 /nfs/dbraw/zinc/98/79/24/1317987924.db2.gz POPNPFVLMFECQD-UHFFFAOYSA-N 1 0 338.411 3.087 20 10 EGCDRO Cc1nc(CC2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)no1 ZINC000905734171 1317988088 /nfs/dbraw/zinc/98/80/88/1317988088.db2.gz OTCZSAKVBSWTSS-UHFFFAOYSA-N 1 0 341.455 3.417 20 10 EGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810257190 1317988059 /nfs/dbraw/zinc/98/80/59/1317988059.db2.gz MSBUITMWFFOGGZ-RDBSUJKOSA-N 1 0 326.868 3.251 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1[C@@H]1CCCO1 ZINC000811510812 1318188616 /nfs/dbraw/zinc/18/86/16/1318188616.db2.gz PNAXQZMNJVGHOW-OALUTQOASA-N 1 0 348.462 3.052 20 10 EGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000811906077 1318288362 /nfs/dbraw/zinc/28/83/62/1318288362.db2.gz QJTHEJJMFMOXAV-JKSUJKDBSA-N 1 0 334.508 3.233 20 10 EGCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000811972700 1318300323 /nfs/dbraw/zinc/30/03/23/1318300323.db2.gz RRIFQNWQBXGBOV-MRXNPFEDSA-N 1 0 334.508 3.014 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3nnc(C)s3)CC2)cc1 ZINC000812842494 1318469103 /nfs/dbraw/zinc/46/91/03/1318469103.db2.gz ZSIZYKPERMHNDD-LBPRGKRZSA-N 1 0 332.473 3.175 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c1 ZINC000813788378 1318632244 /nfs/dbraw/zinc/63/22/44/1318632244.db2.gz JCPBRLFRAJQCKS-GJZGRUSLSA-N 1 0 338.423 3.138 20 10 EGCDRO CC(C)[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1(CO)CCC1 ZINC000814171079 1318687928 /nfs/dbraw/zinc/68/79/28/1318687928.db2.gz JSCIBFDNQUHQOH-OAHLLOKOSA-N 1 0 342.277 3.432 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C)c(C)o3)C2)cc1C ZINC001021972091 1318755626 /nfs/dbraw/zinc/75/56/26/1318755626.db2.gz VSRFLXPQNSTWOU-CALCHBBNSA-N 1 0 342.439 3.264 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2c1c(F)ccc2O ZINC000858537688 1328791405 /nfs/dbraw/zinc/79/14/05/1328791405.db2.gz POVBJGJUUJLTPO-GHFQWVAPSA-N 1 0 344.386 3.300 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC34CC4)C2)cc1C ZINC001022276434 1318872813 /nfs/dbraw/zinc/87/28/13/1318872813.db2.gz JSCMEJFTXYBITP-KSZLIROESA-N 1 0 342.483 3.321 20 10 EGCDRO Cc1cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)ccc1N(C)C ZINC000815079236 1318884656 /nfs/dbraw/zinc/88/46/56/1318884656.db2.gz NTKYFVQPIPQYFJ-SFHVURJKSA-N 1 0 332.488 3.079 20 10 EGCDRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000815126208 1318901450 /nfs/dbraw/zinc/90/14/50/1318901450.db2.gz IJQPTLRPPXIKHC-GDBMZVCRSA-N 1 0 335.444 3.393 20 10 EGCDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815555632 1319015323 /nfs/dbraw/zinc/01/53/23/1319015323.db2.gz DIQSYXFHYCLKAM-OAHLLOKOSA-N 1 0 342.439 3.445 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815565410 1319016406 /nfs/dbraw/zinc/01/64/06/1319016406.db2.gz NKJQXAWWIKNMQL-DLBZAZTESA-N 1 0 329.440 3.408 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cn1 ZINC000815561099 1319016811 /nfs/dbraw/zinc/01/68/11/1319016811.db2.gz YHCQPUWAIAAJEF-OAHLLOKOSA-N 1 0 330.428 3.280 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000815594021 1319023660 /nfs/dbraw/zinc/02/36/60/1319023660.db2.gz CZOXDJKWWDGPSG-KKUMJFAQSA-N 1 0 325.474 3.015 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cc[nH]c(=O)c1 ZINC000815643092 1319035374 /nfs/dbraw/zinc/03/53/74/1319035374.db2.gz TXJGBCZMFRUBPZ-UONOGXRCSA-N 1 0 345.418 3.175 20 10 EGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000815651339 1319036451 /nfs/dbraw/zinc/03/64/51/1319036451.db2.gz QGZRSVBGHXNVSL-FZKQIMNGSA-N 1 0 338.879 3.252 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](O)COCc2ccccc2)c1 ZINC000858594560 1328805733 /nfs/dbraw/zinc/80/57/33/1328805733.db2.gz FEIPSIIOMSNIBT-FUHWJXTLSA-N 1 0 329.440 3.319 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)c3ccco3)C2)cc1C ZINC001022700856 1319075438 /nfs/dbraw/zinc/07/54/38/1319075438.db2.gz HJXIYDDMXGFERL-OIISXLGYSA-N 1 0 342.439 3.137 20 10 EGCDRO CC(C)(C)C(=O)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816484790 1319164710 /nfs/dbraw/zinc/16/47/10/1319164710.db2.gz OQMYTUHMDSEOLN-UHFFFAOYSA-N 1 0 326.440 3.236 20 10 EGCDRO Oc1c(C[NH2+]CCc2nnc3n2CCCCC3)ccc2ccccc21 ZINC000816533335 1319176988 /nfs/dbraw/zinc/17/69/88/1319176988.db2.gz RLNGXZIKYOSZCS-UHFFFAOYSA-N 1 0 336.439 3.196 20 10 EGCDRO C[NH+]1CCN(c2ccc(NCc3ccc4ccccc4c3O)nc2)CC1 ZINC000816537278 1319177461 /nfs/dbraw/zinc/17/74/61/1319177461.db2.gz YTQHZARUSKHQRK-UHFFFAOYSA-N 1 0 348.450 3.304 20 10 EGCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc3ccccc3c1O)C[C@@H](C)O2 ZINC000816594720 1319190445 /nfs/dbraw/zinc/19/04/45/1319190445.db2.gz NGJNCWGALHNDEH-QEEYODRMSA-N 1 0 327.424 3.314 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1O ZINC000816656446 1319201973 /nfs/dbraw/zinc/20/19/73/1319201973.db2.gz RZVKPFQUHIPEPJ-QGZVFWFLSA-N 1 0 337.847 3.445 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1F ZINC000817412855 1319354268 /nfs/dbraw/zinc/35/42/68/1319354268.db2.gz PQIUFLNLLRVVHM-KOMQPUFPSA-N 1 0 335.467 3.053 20 10 EGCDRO CC[NH+](CC)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000915215983 1319445505 /nfs/dbraw/zinc/44/55/05/1319445505.db2.gz FWRKJGJQGLXCQL-UHFFFAOYSA-N 1 0 343.471 3.216 20 10 EGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2ccnc2)cc1 ZINC000817938344 1319466265 /nfs/dbraw/zinc/46/62/65/1319466265.db2.gz JDSCMJYPTBNJSW-KKSFZXQISA-N 1 0 349.482 3.289 20 10 EGCDRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000817938769 1319467091 /nfs/dbraw/zinc/46/70/91/1319467091.db2.gz RQIUROHJZZFHTQ-WOJBJXKFSA-N 1 0 325.456 3.038 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938585 1319467335 /nfs/dbraw/zinc/46/73/35/1319467335.db2.gz NPQRMZISORFZEM-UXHICEINSA-N 1 0 339.483 3.428 20 10 EGCDRO Cc1c([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942843 1319470929 /nfs/dbraw/zinc/47/09/29/1319470929.db2.gz RFQPTFLLROHOTK-KUHUBIRLSA-N 1 0 329.492 3.189 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000817946656 1319471961 /nfs/dbraw/zinc/47/19/61/1319471961.db2.gz CJKPMOIWWMFUHC-WOPDTQHZSA-N 1 0 327.266 3.193 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c(C)n1-c1cccc(C)c1 ZINC000818005516 1319489346 /nfs/dbraw/zinc/48/93/46/1319489346.db2.gz PLJFLTZHXJGKCC-LJQANCHMSA-N 1 0 325.456 3.212 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c[nH]nc3C(C)(C)C)C2)cc1 ZINC000818221744 1319522626 /nfs/dbraw/zinc/52/26/26/1319522626.db2.gz SNVZBONMEQJGHO-HNNXBMFYSA-N 1 0 342.487 3.332 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000818342704 1319530380 /nfs/dbraw/zinc/53/03/80/1319530380.db2.gz USIQAJOSXVZQAX-XLIONFOSSA-N 1 0 344.499 3.460 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cnc(C)nc3C)C2)cc1 ZINC000818341961 1319530950 /nfs/dbraw/zinc/53/09/50/1319530950.db2.gz JNPPKKPZVSBTES-WMLDXEAASA-N 1 0 340.471 3.279 20 10 EGCDRO COC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000818343120 1319532363 /nfs/dbraw/zinc/53/23/63/1319532363.db2.gz YEIBOOGONIRRFL-OXJNMPFZSA-N 1 0 332.488 3.316 20 10 EGCDRO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917073888 1319749066 /nfs/dbraw/zinc/74/90/66/1319749066.db2.gz GWJVCIBTTHSNNE-IRXDYDNUSA-N 1 0 343.515 3.222 20 10 EGCDRO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074105 1319749643 /nfs/dbraw/zinc/74/96/43/1319749643.db2.gz PUITUVMGEFOPQJ-JXFKEZNVSA-N 1 0 343.515 3.412 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000917757960 1319867722 /nfs/dbraw/zinc/86/77/22/1319867722.db2.gz DBXICPQEPUHRBB-UHFFFAOYSA-N 1 0 337.467 3.262 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]CCCc3ccc(C)nc3)C2)cc1 ZINC000822494193 1320088435 /nfs/dbraw/zinc/08/84/35/1320088435.db2.gz IXGDVNQQSHTSQM-LJQANCHMSA-N 1 0 339.483 3.447 20 10 EGCDRO Oc1cc(Br)ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000824638776 1320273505 /nfs/dbraw/zinc/27/35/05/1320273505.db2.gz BVCPQUCJSOPMCN-UHFFFAOYSA-N 1 0 336.233 3.188 20 10 EGCDRO Cc1cc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000824938189 1320297983 /nfs/dbraw/zinc/29/79/83/1320297983.db2.gz GSERLZCQAJWPSY-YXJHDRRASA-N 1 0 338.879 3.038 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1F ZINC000824954198 1320299662 /nfs/dbraw/zinc/29/96/62/1320299662.db2.gz PESHFENOBZJHBQ-QFBILLFUSA-N 1 0 329.419 3.297 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c1O ZINC000825117454 1320312161 /nfs/dbraw/zinc/31/21/61/1320312161.db2.gz DLLLLTDSQFWTFH-IKGGRYGDSA-N 1 0 329.444 3.184 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1Cl ZINC000825114430 1320312356 /nfs/dbraw/zinc/31/23/56/1320312356.db2.gz QMONEMUGMHJJPL-UHFFFAOYSA-N 1 0 338.879 3.481 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000825159963 1320315299 /nfs/dbraw/zinc/31/52/99/1320315299.db2.gz JXQOZJZOOKJYPI-UHFFFAOYSA-N 1 0 339.844 3.047 20 10 EGCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825196396 1320317631 /nfs/dbraw/zinc/31/76/31/1320317631.db2.gz FXHWWYGQDMYQDN-RTBURBONSA-N 1 0 346.496 3.278 20 10 EGCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825253309 1320322081 /nfs/dbraw/zinc/32/20/81/1320322081.db2.gz GXJCHECSLAVIFU-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000825326310 1320327619 /nfs/dbraw/zinc/32/76/19/1320327619.db2.gz MSLINYBYSZQIFI-FUHWJXTLSA-N 1 0 337.423 3.289 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1Cl ZINC000825357317 1320331470 /nfs/dbraw/zinc/33/14/70/1320331470.db2.gz CHHHBTWFTVCZPV-IRXDYDNUSA-N 1 0 338.879 3.087 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1Cl ZINC000825357545 1320331502 /nfs/dbraw/zinc/33/15/02/1320331502.db2.gz HKAFMYVQAKATKF-UHFFFAOYSA-N 1 0 333.741 3.403 20 10 EGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000825406507 1320336171 /nfs/dbraw/zinc/33/61/71/1320336171.db2.gz UPOZVTGAAGWNKO-DZGCQCFKSA-N 1 0 328.250 3.448 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1Cl ZINC000825562537 1320347265 /nfs/dbraw/zinc/34/72/65/1320347265.db2.gz MWOZMTNVNNHKAH-IBGZPJMESA-N 1 0 342.826 3.450 20 10 EGCDRO COC[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000825916259 1320370620 /nfs/dbraw/zinc/37/06/20/1320370620.db2.gz LWTIVWOGECRXON-AWEZNQCLSA-N 1 0 331.412 3.104 20 10 EGCDRO COc1cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934844 1320372225 /nfs/dbraw/zinc/37/22/25/1320372225.db2.gz LKCTZPRLGBWOAD-KSSFIOAISA-N 1 0 334.504 3.470 20 10 EGCDRO OC[C@H]([C@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1)C1CC1 ZINC000826063979 1320381209 /nfs/dbraw/zinc/38/12/09/1320381209.db2.gz BQQNNRRYAJYEDX-GOEBONIOSA-N 1 0 340.261 3.041 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C1(CO)CC1 ZINC000826990227 1320418821 /nfs/dbraw/zinc/41/88/21/1320418821.db2.gz BZVYFPHAGHQQIA-OAHLLOKOSA-N 1 0 327.424 3.222 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000837725750 1320674363 /nfs/dbraw/zinc/67/43/63/1320674363.db2.gz RJPLHYCASZINJG-GOSISDBHSA-N 1 0 346.519 3.064 20 10 EGCDRO C[C@H](CO)[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839097626 1320869285 /nfs/dbraw/zinc/86/92/85/1320869285.db2.gz TVOJKBOXATXISQ-CYBMUJFWSA-N 1 0 341.293 3.252 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000839146694 1320880317 /nfs/dbraw/zinc/88/03/17/1320880317.db2.gz RGRSXUFQRSNYDK-UHFFFAOYSA-N 1 0 338.423 3.461 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C2CCC(OC)CC2)c1O ZINC000839171582 1320884416 /nfs/dbraw/zinc/88/44/16/1320884416.db2.gz HLIJVGDWUFZJBF-UHFFFAOYSA-N 1 0 344.249 3.211 20 10 EGCDRO COc1cccc(O)c1CNc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000839190289 1320890710 /nfs/dbraw/zinc/89/07/10/1320890710.db2.gz ZHWJKABFMWTUKB-UHFFFAOYSA-N 1 0 334.391 3.092 20 10 EGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000840810333 1321153993 /nfs/dbraw/zinc/15/39/93/1321153993.db2.gz RLLWVEJTMKTEAF-ZOCIIQOWSA-N 1 0 348.462 3.271 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000840872664 1321166568 /nfs/dbraw/zinc/16/65/68/1321166568.db2.gz MDCPQDNTTSBCCM-PNBKFKSVSA-N 1 0 336.451 3.126 20 10 EGCDRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc2ccccc2c1O ZINC000840875018 1321167166 /nfs/dbraw/zinc/16/71/66/1321167166.db2.gz BWWBQBKWICYYLY-CYBMUJFWSA-N 1 0 335.469 3.409 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000840917672 1321177221 /nfs/dbraw/zinc/17/72/21/1321177221.db2.gz WGMMLZIPYLDOMU-MRXNPFEDSA-N 1 0 330.394 3.196 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)c1ccc(F)cc1F ZINC000840933525 1321180418 /nfs/dbraw/zinc/18/04/18/1321180418.db2.gz GLYWVYCASUAWMY-LJQANCHMSA-N 1 0 334.410 3.337 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000840934087 1321180431 /nfs/dbraw/zinc/18/04/31/1321180431.db2.gz XDIHYFLEEIYWNS-UHFFFAOYSA-N 1 0 341.499 3.291 20 10 EGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000840960950 1321187398 /nfs/dbraw/zinc/18/73/98/1321187398.db2.gz OKSUSYLPFNFVFI-BMIGLBTASA-N 1 0 328.250 3.448 20 10 EGCDRO C[C@H]([NH3+])c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000841029117 1321203467 /nfs/dbraw/zinc/20/34/67/1321203467.db2.gz SVQFVXAEIQTZFE-AWEZNQCLSA-N 1 0 329.419 3.294 20 10 EGCDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841036457 1321206147 /nfs/dbraw/zinc/20/61/47/1321206147.db2.gz OKEFQQCRHROURG-UHFFFAOYSA-N 1 0 334.467 3.463 20 10 EGCDRO Cc1nn(-c2ccccc2)cc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041524 1321207312 /nfs/dbraw/zinc/20/73/12/1321207312.db2.gz CVUGBSGOYOSXSV-NRFANRHFSA-N 1 0 349.482 3.036 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2nc3ccc(F)cc3s2)cc1 ZINC000841044096 1321208583 /nfs/dbraw/zinc/20/85/83/1321208583.db2.gz VKBUYBMTRBHIMR-OAHLLOKOSA-N 1 0 344.459 3.291 20 10 EGCDRO Cc1cc(Br)cc(C)c1NC(=O)NCCC[NH2+]C1CC1 ZINC000841051412 1321209720 /nfs/dbraw/zinc/20/97/20/1321209720.db2.gz OZDUYYVHMVSSAB-UHFFFAOYSA-N 1 0 340.265 3.330 20 10 EGCDRO Nc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000841298497 1321248853 /nfs/dbraw/zinc/24/88/53/1321248853.db2.gz QGEHYVXXUUKASR-UHFFFAOYSA-N 1 0 330.476 3.389 20 10 EGCDRO O=C(NCCCSc1nccs1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841307519 1321251936 /nfs/dbraw/zinc/25/19/36/1321251936.db2.gz QVSRUAOWFGYQJK-UHFFFAOYSA-N 1 0 348.497 3.093 20 10 EGCDRO C[NH2+]Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000841329705 1321257546 /nfs/dbraw/zinc/25/75/46/1321257546.db2.gz MCNBJNUPPDNPNX-UHFFFAOYSA-N 1 0 336.439 3.104 20 10 EGCDRO Cc1sccc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000841495416 1321279241 /nfs/dbraw/zinc/27/92/41/1321279241.db2.gz HPOBHIACYPJUCI-LCYFTJDESA-N 1 0 338.523 3.352 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Br)ccc1O ZINC000841766040 1321309859 /nfs/dbraw/zinc/30/98/59/1321309859.db2.gz YDULUDNQOOFYSF-MWLCHTKSSA-N 1 0 349.219 3.145 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccnn3CC(C)C)C2)cc1 ZINC000842714836 1321423231 /nfs/dbraw/zinc/42/32/31/1321423231.db2.gz YNZFGUCCBFLNPU-KRWDZBQOSA-N 1 0 342.487 3.164 20 10 EGCDRO CC[C@H]1CN(Cc2cc(Br)cc(C)c2O)CC[C@@H]1[NH3+] ZINC000843052337 1321461714 /nfs/dbraw/zinc/46/17/14/1321461714.db2.gz OWDNYFHGWXLLFW-FZMZJTMJSA-N 1 0 327.266 3.022 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)cc1F ZINC000843120260 1321473108 /nfs/dbraw/zinc/47/31/08/1321473108.db2.gz BXHLMKSUWXKWSX-FQEVSTJZSA-N 1 0 342.462 3.213 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125936 1321474439 /nfs/dbraw/zinc/47/44/39/1321474439.db2.gz DAAGTQYIECTSOP-OLZOCXBDSA-N 1 0 326.843 3.396 20 10 EGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125920 1321474498 /nfs/dbraw/zinc/47/44/98/1321474498.db2.gz CLNAMJLPXAQSEC-QWHCGFSZSA-N 1 0 326.843 3.396 20 10 EGCDRO COC(=O)[C@@H](c1cccc(Cl)c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843351001 1321503895 /nfs/dbraw/zinc/50/38/95/1321503895.db2.gz ZRGTVGGPKZFINN-GOSISDBHSA-N 1 0 344.842 3.466 20 10 EGCDRO Cc1ccc(CN(C[C@@H]2CC[NH2+]C2)c2ccc3c(c2)OCCO3)s1 ZINC000843357757 1321506049 /nfs/dbraw/zinc/50/60/49/1321506049.db2.gz TYBFQCJMCKIUHZ-OAHLLOKOSA-N 1 0 344.480 3.444 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C(=O)NCc1cccs1 ZINC000843426477 1321516923 /nfs/dbraw/zinc/51/69/23/1321516923.db2.gz ZKUJHGUNGJDRQK-SFHVURJKSA-N 1 0 345.512 3.307 20 10 EGCDRO [NH3+][C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000844172555 1321575385 /nfs/dbraw/zinc/57/53/85/1321575385.db2.gz BUUBEUUQWAIDJX-SFHVURJKSA-N 1 0 343.858 3.256 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc4cnccc4o3)C2)cc1 ZINC000845985410 1321761247 /nfs/dbraw/zinc/76/12/47/1321761247.db2.gz CEMSHCPZGNUFEN-HNNXBMFYSA-N 1 0 337.423 3.453 20 10 EGCDRO CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000846106650 1321767983 /nfs/dbraw/zinc/76/79/83/1321767983.db2.gz DDQZEUJKCAWBOV-HOCLYGCPSA-N 1 0 347.377 3.383 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(N3CCCC3=O)c2)c1O ZINC000846139988 1321770689 /nfs/dbraw/zinc/77/06/89/1321770689.db2.gz XJSFPQVHHSDRRU-AWEZNQCLSA-N 1 0 340.423 3.378 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(N3CCOC3=O)c2)c1O ZINC000846142670 1321770919 /nfs/dbraw/zinc/77/09/19/1321770919.db2.gz GHJKNQGCVZPKQM-ZDUSSCGKSA-N 1 0 342.395 3.208 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2COc3c(cccc3OC)C2)c1O ZINC000846146434 1321771285 /nfs/dbraw/zinc/77/12/85/1321771285.db2.gz QTSQFKZJOCJYDV-GXTWGEPZSA-N 1 0 329.396 3.064 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000846153784 1321771955 /nfs/dbraw/zinc/77/19/55/1321771955.db2.gz IIGPSQLFSMNHCY-WMLDXEAASA-N 1 0 340.423 3.165 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000846158279 1321772500 /nfs/dbraw/zinc/77/25/00/1321772500.db2.gz WGEJDMQKDCBMLX-STQMWFEESA-N 1 0 338.448 3.212 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000846174720 1321774399 /nfs/dbraw/zinc/77/43/99/1321774399.db2.gz YTRXJLAOVKHHPR-CXAGYDPISA-N 1 0 332.419 3.493 20 10 EGCDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1=O ZINC000846208831 1321776203 /nfs/dbraw/zinc/77/62/03/1321776203.db2.gz MHHAMJJJXKNKIK-IAGOWNOFSA-N 1 0 329.488 3.196 20 10 EGCDRO CCc1cccc(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1O ZINC000848895429 1322034594 /nfs/dbraw/zinc/03/45/94/1322034594.db2.gz UIOYEEIRRRVBSM-UHFFFAOYSA-N 1 0 347.480 3.049 20 10 EGCDRO COC(=O)/C=C\c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000848910858 1322043524 /nfs/dbraw/zinc/04/35/24/1322043524.db2.gz AHIMXAKZSZLLPC-UPZNUWHASA-N 1 0 331.368 3.031 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1O ZINC000848925997 1322047596 /nfs/dbraw/zinc/04/75/96/1322047596.db2.gz JPNMVPJSIPURNX-HOTGVXAUSA-N 1 0 348.240 3.211 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCCO2)ccc1N1CCCCC1 ZINC000920414278 1322174470 /nfs/dbraw/zinc/17/44/70/1322174470.db2.gz QTUOUTPFHLFVHT-INIZCTEOSA-N 1 0 333.432 3.244 20 10 EGCDRO COc1cc(C[NH2+]C[C@@H](OC)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850135711 1322197413 /nfs/dbraw/zinc/19/74/13/1322197413.db2.gz PPBGJDRIELNWKS-CYBMUJFWSA-N 1 0 335.366 3.365 20 10 EGCDRO COc1cc(C[NH2+]C[C@H](CO)Cc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850199499 1322204775 /nfs/dbraw/zinc/20/47/75/1322204775.db2.gz ONNWWTKCRFYUPN-CQSZACIVSA-N 1 0 347.455 3.232 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000850355289 1322232458 /nfs/dbraw/zinc/23/24/58/1322232458.db2.gz FAALHCNPTSZJFU-OAHLLOKOSA-N 1 0 333.350 3.381 20 10 EGCDRO COc1cccc(C2([NH2+]Cc3cc4c(cc3O)OCO4)CCC2)c1 ZINC000850405453 1322241154 /nfs/dbraw/zinc/24/11/54/1322241154.db2.gz OGLGTQHUCBTNBT-UHFFFAOYSA-N 1 0 327.380 3.299 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)ccc1OC ZINC000850411962 1322241779 /nfs/dbraw/zinc/24/17/79/1322241779.db2.gz PODQUZRLHSBGAP-UZLBHIALSA-N 1 0 343.467 3.486 20 10 EGCDRO C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1[O-] ZINC000850516678 1322260118 /nfs/dbraw/zinc/26/01/18/1322260118.db2.gz JUNQXAORJQGRCV-HNNXBMFYSA-N 1 0 343.446 3.489 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(Br)cc1O ZINC000850544952 1322264073 /nfs/dbraw/zinc/26/40/73/1322264073.db2.gz KXTPQSHXBDUXAE-PWSUYJOCSA-N 1 0 328.250 3.214 20 10 EGCDRO NC(=O)OC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922187114 1322475365 /nfs/dbraw/zinc/47/53/65/1322475365.db2.gz SUSYHQOVDOYWAZ-SFHVURJKSA-N 1 0 340.423 3.222 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnn(C4CCC4)c3)C2)cc1 ZINC000922196729 1322476511 /nfs/dbraw/zinc/47/65/11/1322476511.db2.gz NZTRBZHVUAILHB-MRXNPFEDSA-N 1 0 340.471 3.233 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCNc3ccc(C)cn3)CC2)cc1 ZINC000922927642 1322652049 /nfs/dbraw/zinc/65/20/49/1322652049.db2.gz RJROQBQARPDFDO-UHFFFAOYSA-N 1 0 340.471 3.069 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C4(C)CC4)C[C@@H]32)cc1C ZINC001026272383 1324696731 /nfs/dbraw/zinc/69/67/31/1324696731.db2.gz HPEBBWIQWHKUQZ-OKZBNKHCSA-N 1 0 342.483 3.130 20 10 EGCDRO C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H]1COCCO1 ZINC000853560354 1325122287 /nfs/dbraw/zinc/12/22/87/1325122287.db2.gz UEDRBNQHNMKEJU-CQSZACIVSA-N 1 0 327.380 3.139 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1OC ZINC000853583561 1325130053 /nfs/dbraw/zinc/13/00/53/1325130053.db2.gz CBCBXKRKLZGVSP-KRWDZBQOSA-N 1 0 342.439 3.120 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)CC2 ZINC000854221955 1325230272 /nfs/dbraw/zinc/23/02/72/1325230272.db2.gz CHJBEVITXKXDKH-FGTMMUONSA-N 1 0 326.415 3.254 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3CCCO)C2)cc1 ZINC000926613118 1327635686 /nfs/dbraw/zinc/63/56/86/1327635686.db2.gz SUCGGDHEKLNURC-DBXWQHBBSA-N 1 0 346.515 3.442 20 10 EGCDRO OCCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926725077 1327685146 /nfs/dbraw/zinc/68/51/46/1327685146.db2.gz ODVNETADJGYFAH-WIYYLYMNSA-N 1 0 346.515 3.069 20 10 EGCDRO CCCN(Cc1cn(-c2ccc(F)cc2)nn1)c1ccc(C[NH3+])cc1 ZINC000862348330 1329476250 /nfs/dbraw/zinc/47/62/50/1329476250.db2.gz KCUKACHXSFSWMP-UHFFFAOYSA-N 1 0 339.418 3.282 20 10 EGCDRO COc1c(O)c(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000862442561 1329487668 /nfs/dbraw/zinc/48/76/68/1329487668.db2.gz IJZMKKXHUCCDKD-UWVGGRQHSA-N 1 0 330.331 3.032 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000862484737 1329490814 /nfs/dbraw/zinc/49/08/14/1329490814.db2.gz AIANTXKYTXQHFL-UONOGXRCSA-N 1 0 335.444 3.201 20 10 EGCDRO Cc1cc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1-c1ccccc1 ZINC000863163627 1329531528 /nfs/dbraw/zinc/53/15/28/1329531528.db2.gz KXFVBKLJOYZSDE-VQIMIIECSA-N 1 0 325.456 3.051 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C(\C)C3CC3)C2)cc1C ZINC000967410284 1335729745 /nfs/dbraw/zinc/72/97/45/1335729745.db2.gz CAIFNNQDDIXRHO-GPZRYRNASA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)/C=C\c3ccco3)C2)cc1C ZINC001018437293 1339618597 /nfs/dbraw/zinc/61/85/97/1339618597.db2.gz CUMIAMVTQGOBGK-QLBOMPFWSA-N 1 0 340.423 3.001 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1C ZINC001029130055 1340937666 /nfs/dbraw/zinc/93/76/66/1340937666.db2.gz PUUDRIIYTRWIOX-GMBSWORKSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C3(C)CC3)CC2)cc1C ZINC001034653940 1342672756 /nfs/dbraw/zinc/67/27/56/1342672756.db2.gz SLUVSRJDMAEFDY-QAQDUYKDSA-N 1 0 330.472 3.321 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C)C2CC2)cc1C ZINC001034895249 1342825383 /nfs/dbraw/zinc/82/53/83/1342825383.db2.gz AMJMUBZLAMGYDX-CRAIPNDOSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC2(C)C)cc1C ZINC001034910762 1342833624 /nfs/dbraw/zinc/83/36/24/1342833624.db2.gz ORGPZGCDRQROAX-IAGOWNOFSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2coc(C)c2)cc1C ZINC001034917731 1342835837 /nfs/dbraw/zinc/83/58/37/1342835837.db2.gz ROCLMPUQDUVULR-GOSISDBHSA-N 1 0 342.439 3.299 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(F)=C(C)C)C[C@@H]2C)cc1C ZINC001054559527 1349398418 /nfs/dbraw/zinc/39/84/18/1349398418.db2.gz KEIDRCFMEJGWRG-GOEBONIOSA-N 1 0 334.435 3.204 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C=C3CCC3)C[C@@H]2C)cc1C ZINC001054574445 1349404768 /nfs/dbraw/zinc/40/47/68/1349404768.db2.gz WQEFJWQSRSSRHP-YJBOKZPZSA-N 1 0 328.456 3.050 20 10 EGCDRO CC(C)[C@H](C(=O)n1c(N)c(/N=N/c2ccccc2)ccc1=N)[NH+](C)C ZINC001183360419 1387303246 /nfs/dbraw/zinc/30/32/46/1387303246.db2.gz 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Cc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CCO3)C2)c1O ZINC001233110126 1376570156 /nfs/dbraw/zinc/57/01/56/1376570156.db2.gz UUEGWDZQTBNOSL-HNNXBMFYSA-N 1 0 326.234 3.218 20 10 EGCDRO CCc1ccc(CC(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001134503694 1376571581 /nfs/dbraw/zinc/57/15/81/1376571581.db2.gz SZWCMKJMBPCARZ-UHFFFAOYSA-N 1 0 340.467 3.015 20 10 EGCDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCO1 ZINC001233287535 1376604221 /nfs/dbraw/zinc/60/42/21/1376604221.db2.gz VDBWLTFTBXPTCW-SFHVURJKSA-N 1 0 334.504 3.232 20 10 EGCDRO CN1C(=O)CCC12CC[NH+](Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233287586 1376604530 /nfs/dbraw/zinc/60/45/30/1376604530.db2.gz YGYRCZBDMMNWQT-UHFFFAOYSA-N 1 0 330.472 3.277 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2cccc3c2OCO3)c1O ZINC001233291195 1376605646 /nfs/dbraw/zinc/60/56/46/1376605646.db2.gz PWXQBVWAMMBOEU-UHFFFAOYSA-N 1 0 335.787 3.415 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c1O ZINC001233290883 1376605660 /nfs/dbraw/zinc/60/56/60/1376605660.db2.gz BDYMHQYKOJVOOJ-HNNXBMFYSA-N 1 0 348.830 3.411 20 10 EGCDRO Oc1ccc(F)c(F)c1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233335074 1376619583 /nfs/dbraw/zinc/61/95/83/1376619583.db2.gz GMBLWHABBAJFHI-HOTGVXAUSA-N 1 0 344.405 3.234 20 10 EGCDRO COc1cccc(C[C@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233486988 1376653369 /nfs/dbraw/zinc/65/33/69/1376653369.db2.gz KNEMTTOVXVADOG-OAHLLOKOSA-N 1 0 343.423 3.267 20 10 EGCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235021550 1376829089 /nfs/dbraw/zinc/82/90/89/1376829089.db2.gz KOAHQBVRAREQFX-HNAYVOBHSA-N 1 0 326.415 3.382 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cc(F)c[nH]2)cc1C ZINC001135033149 1376859996 /nfs/dbraw/zinc/85/99/96/1376859996.db2.gz LNZOUOCNSZCQGW-KBPBESRZSA-N 1 0 347.434 3.158 20 10 EGCDRO CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(Br)c1[O-] ZINC001235305216 1376866574 /nfs/dbraw/zinc/86/65/74/1376866574.db2.gz KHRYUCLVWUCJAX-UHFFFAOYSA-N 1 0 347.272 3.458 20 10 EGCDRO [NH3+]CCN(Cc1ccc(O)cc1O)Cc1ccc(Cl)cc1Cl ZINC001235885249 1376910496 /nfs/dbraw/zinc/91/04/96/1376910496.db2.gz BYMULHLQFDUENY-UHFFFAOYSA-N 1 0 341.238 3.366 20 10 EGCDRO Oc1ccc(F)c(F)c1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270501 1376947387 /nfs/dbraw/zinc/94/73/87/1376947387.db2.gz LKRZWVCSZXNXGX-OAHLLOKOSA-N 1 0 332.394 3.425 20 10 EGCDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(O)c1 ZINC001237051554 1376971306 /nfs/dbraw/zinc/97/13/06/1376971306.db2.gz MWIGDFBBAPBJJE-VQFNDLOPSA-N 1 0 346.471 3.471 20 10 EGCDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237053814 1376971968 /nfs/dbraw/zinc/97/19/68/1376971968.db2.gz QWULPEVCYOVUBQ-CYBMUJFWSA-N 1 0 333.350 3.334 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)Cc2cn(C)nc21 ZINC001237052624 1376972905 /nfs/dbraw/zinc/97/29/05/1376972905.db2.gz XGGTUMQPTUVISC-SFHVURJKSA-N 1 0 343.471 3.385 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(O)c(OC)c1 ZINC001237675882 1376982297 /nfs/dbraw/zinc/98/22/97/1376982297.db2.gz HYZAEDZRXMCSAA-MRXNPFEDSA-N 1 0 327.424 3.474 20 10 EGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1Br ZINC001237676548 1376983451 /nfs/dbraw/zinc/98/34/51/1376983451.db2.gz KPBHGLOYZQRBAO-JOCQHMNTSA-N 1 0 328.250 3.198 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2ccco2)cc1C ZINC001135720998 1377194269 /nfs/dbraw/zinc/19/42/69/1377194269.db2.gz QKGPTUKOYVBTII-HZPDHXFCSA-N 1 0 344.455 3.212 20 10 EGCDRO Cc1cc(C[NH+]2CCN(c3cncnc3)CC2)c(C)n1-c1ccccc1 ZINC001137859221 1377632485 /nfs/dbraw/zinc/63/24/85/1377632485.db2.gz OFOQCEMMAXQXHZ-UHFFFAOYSA-N 1 0 347.466 3.206 20 10 EGCDRO CCO[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]2CCCO[C@H]12 ZINC001138216654 1377690554 /nfs/dbraw/zinc/69/05/54/1377690554.db2.gz GAWKUXBDOIMPEC-NJYVYQBISA-N 1 0 344.499 3.445 20 10 EGCDRO COC(=O)C1(C)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138219487 1377690817 /nfs/dbraw/zinc/69/08/17/1377690817.db2.gz CMLQEKPOIYSXTK-UHFFFAOYSA-N 1 0 330.472 3.452 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCC[C@]1(C)O ZINC001138337661 1377705265 /nfs/dbraw/zinc/70/52/65/1377705265.db2.gz CNATUJWGHOFUHV-BTYIYWSLSA-N 1 0 344.499 3.074 20 10 EGCDRO COc1cc(CN2CCC[C@H](F)C(F)(F)C2)cc(C[NH+](C)C)c1O ZINC001139253524 1377858784 /nfs/dbraw/zinc/85/87/84/1377858784.db2.gz XCBFWSMCBFJABM-HNNXBMFYSA-N 1 0 346.393 3.032 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[N@H+](C)Cc3ccccc3O)cn2)C[C@@H](C)O1 ZINC001139384613 1377876937 /nfs/dbraw/zinc/87/69/37/1377876937.db2.gz DAUDGXCYYYWOSE-HZPDHXFCSA-N 1 0 341.455 3.033 20 10 EGCDRO CCOCc1ncn2c1C[N@H+](Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC001139671902 1377930877 /nfs/dbraw/zinc/93/08/77/1377930877.db2.gz QNSPFMKVAZFVTL-UHFFFAOYSA-N 1 0 342.487 3.200 20 10 EGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139672852 1377931580 /nfs/dbraw/zinc/93/15/80/1377931580.db2.gz JMMKEPJCGWCNFL-INIZCTEOSA-N 1 0 328.460 3.386 20 10 EGCDRO Oc1ccc(F)cc1C[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001140055730 1377996758 /nfs/dbraw/zinc/99/67/58/1377996758.db2.gz RFJKVLXEVJCJQN-UHFFFAOYSA-N 1 0 339.370 3.182 20 10 EGCDRO O=c1oc2ccccc2n1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055352 1377996795 /nfs/dbraw/zinc/99/67/95/1377996795.db2.gz SOUODFLMNFGUIP-UHFFFAOYSA-N 1 0 342.370 3.276 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001140055428 1377996814 /nfs/dbraw/zinc/99/68/14/1377996814.db2.gz XUMGGCVJBNFHEG-HNNXBMFYSA-N 1 0 338.423 3.411 20 10 EGCDRO Oc1cccc(Br)c1CN1CCC[C@H]1c1cnccn1 ZINC001140100786 1378007479 /nfs/dbraw/zinc/00/74/79/1378007479.db2.gz BRIXOPRWBIHJQE-AWEZNQCLSA-N 1 0 334.217 3.282 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC001140178310 1378026395 /nfs/dbraw/zinc/02/63/95/1378026395.db2.gz HSUREHBXWLTPPX-UHFFFAOYSA-N 1 0 334.460 3.308 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)c1O ZINC001140180376 1378026943 /nfs/dbraw/zinc/02/69/43/1378026943.db2.gz VUPWEOLWXZWQEN-UHFFFAOYSA-N 1 0 343.471 3.173 20 10 EGCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC001140182221 1378027119 /nfs/dbraw/zinc/02/71/19/1378027119.db2.gz LCHQGXKDCIBFGD-OAHLLOKOSA-N 1 0 334.460 3.450 20 10 EGCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001140180882 1378027417 /nfs/dbraw/zinc/02/74/17/1378027417.db2.gz MZZPYWFJTOIEHW-GASCZTMLSA-N 1 0 332.444 3.203 20 10 EGCDRO COC[C@@H]1COCCC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140338882 1378048381 /nfs/dbraw/zinc/04/83/81/1378048381.db2.gz AEYVVXDDKUOFPA-CQSZACIVSA-N 1 0 339.863 3.311 20 10 EGCDRO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338729 1378048490 /nfs/dbraw/zinc/04/84/90/1378048490.db2.gz NKJPRGWJLPCOHL-GTNSWQLSSA-N 1 0 338.835 3.145 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001140340109 1378049002 /nfs/dbraw/zinc/04/90/02/1378049002.db2.gz RIAVCJOIPUNNIV-UHFFFAOYSA-N 1 0 329.831 3.314 20 10 EGCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)c1 ZINC001140342524 1378050286 /nfs/dbraw/zinc/05/02/86/1378050286.db2.gz NLAKTKDKDVKUHS-ZDUSSCGKSA-N 1 0 334.803 3.103 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140343979 1378050418 /nfs/dbraw/zinc/05/04/18/1378050418.db2.gz BNEABUOGDUUPAL-KSSFIOAISA-N 1 0 337.847 3.206 20 10 EGCDRO O=C1N(C2CCCC2)CC[C@]12CCC[N@H+]2Cc1cc(F)ccc1O ZINC001273284145 1378094717 /nfs/dbraw/zinc/09/47/17/1378094717.db2.gz FVJKZGSDCHSECW-LJQANCHMSA-N 1 0 332.419 3.041 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c1 ZINC001140620062 1378099508 /nfs/dbraw/zinc/09/95/08/1378099508.db2.gz AYMROZNRVVTQOT-LJQANCHMSA-N 1 0 336.435 3.154 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001140619539 1378099653 /nfs/dbraw/zinc/09/96/53/1378099653.db2.gz GUSBYQVBOPBIGQ-JKSUJKDBSA-N 1 0 332.444 3.284 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001140619873 1378099692 /nfs/dbraw/zinc/09/96/92/1378099692.db2.gz SRZSSDWCHMCHMM-NVXWUHKLSA-N 1 0 346.471 3.389 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c1 ZINC001140624483 1378100356 /nfs/dbraw/zinc/10/03/56/1378100356.db2.gz YCFPZMPECCICHN-UHFFFAOYSA-N 1 0 342.414 3.234 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)[C@@H]2C)c(O)c1 ZINC001140855821 1378159576 /nfs/dbraw/zinc/15/95/76/1378159576.db2.gz LCLWKQGZCMAWJJ-YOEHRIQHSA-N 1 0 334.460 3.012 20 10 EGCDRO CN(C)c1ccc(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c(Cl)c1 ZINC001140924749 1378182228 /nfs/dbraw/zinc/18/22/28/1378182228.db2.gz UCBIUJJFITYCMQ-UHFFFAOYSA-N 1 0 333.907 3.324 20 10 EGCDRO Cc1nccnc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926501 1378183344 /nfs/dbraw/zinc/18/33/44/1378183344.db2.gz MPEPOULYESWJIO-INIZCTEOSA-N 1 0 346.862 3.158 20 10 EGCDRO CCOC(=O)c1cc2c(s1)CCN(Cc1ccc(C)cc1O)C2 ZINC001140950706 1378190073 /nfs/dbraw/zinc/19/00/73/1378190073.db2.gz DTOGZODVRULNCZ-UHFFFAOYSA-N 1 0 331.437 3.497 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1c1ccccc1 ZINC001140954486 1378191933 /nfs/dbraw/zinc/19/19/33/1378191933.db2.gz UIEYJVHZLYVMFA-MSOLQXFVSA-N 1 0 325.408 3.089 20 10 EGCDRO c1c(CN2CC[NH+](C3CCC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141074222 1378233231 /nfs/dbraw/zinc/23/32/31/1378233231.db2.gz BQISUJMTPWIWML-UHFFFAOYSA-N 1 0 325.500 3.056 20 10 EGCDRO O=C1CC[C@@]2(CCC[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)O1 ZINC001141078241 1378233749 /nfs/dbraw/zinc/23/37/49/1378233749.db2.gz QDJJIXXSGQBQKI-OAQYLSRUSA-N 1 0 340.467 3.057 20 10 EGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078467 1378234134 /nfs/dbraw/zinc/23/41/34/1378234134.db2.gz WVWOTEYUNOHLDU-HXUWFJFHSA-N 1 0 327.516 3.302 20 10 EGCDRO CN1CCOc2cc(CN3CC[N@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC001141139263 1378247167 /nfs/dbraw/zinc/24/71/67/1378247167.db2.gz OUGSCNBIROFHCF-FQEVSTJZSA-N 1 0 337.467 3.004 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](Oc4ccc(F)cc4)C3)ccc21 ZINC001141142826 1378248598 /nfs/dbraw/zinc/24/85/98/1378248598.db2.gz BYAQSTZVQABDBC-SFHVURJKSA-N 1 0 342.414 3.308 20 10 EGCDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)cc1 ZINC001141163321 1378256010 /nfs/dbraw/zinc/25/60/10/1378256010.db2.gz ZRDAIGXYVMXSOO-KRWDZBQOSA-N 1 0 327.380 3.222 20 10 EGCDRO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141163257 1378256585 /nfs/dbraw/zinc/25/65/85/1378256585.db2.gz XOGRHUGHUXHFTQ-INIZCTEOSA-N 1 0 341.407 3.053 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001142531444 1378454297 /nfs/dbraw/zinc/45/42/97/1378454297.db2.gz XPNYTAVSQNAVRV-KXBFYZLASA-N 1 0 344.405 3.377 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC001143103596 1378541103 /nfs/dbraw/zinc/54/11/03/1378541103.db2.gz GKAVNSPCLZCQOF-MRXNPFEDSA-N 1 0 331.378 3.436 20 10 EGCDRO CC(C)(C)c1cccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c1O ZINC001143111897 1378542064 /nfs/dbraw/zinc/54/20/64/1378542064.db2.gz IBUKTUCJMYZNPN-UHFFFAOYSA-N 1 0 326.440 3.391 20 10 EGCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143111498 1378542330 /nfs/dbraw/zinc/54/23/30/1378542330.db2.gz CCOOJWREJFFQMD-BPUTZDHNSA-N 1 0 331.456 3.463 20 10 EGCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)CC[C@@H]21 ZINC001143117122 1378542930 /nfs/dbraw/zinc/54/29/30/1378542930.db2.gz USKMSFKYFAHGAT-PBHICJAKSA-N 1 0 330.472 3.132 20 10 EGCDRO C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146663331 1378893151 /nfs/dbraw/zinc/89/31/51/1378893151.db2.gz LBZSRQALMIKNKF-CHWSQXEVSA-N 1 0 345.447 3.136 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2sccc2C)cc1C ZINC001154214752 1380229865 /nfs/dbraw/zinc/22/98/65/1380229865.db2.gz BMYXOAYZIUTNSU-UHFFFAOYSA-N 1 0 332.469 3.283 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cccc(C)c2)cc1C ZINC001154329748 1380256385 /nfs/dbraw/zinc/25/63/85/1380256385.db2.gz JDKAIJXZFTZWOB-UHFFFAOYSA-N 1 0 326.440 3.222 20 10 EGCDRO COc1cccc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155629701 1380476066 /nfs/dbraw/zinc/47/60/66/1380476066.db2.gz MKRKUAGCYBMNJW-XKGFGPFHSA-N 1 0 339.483 3.490 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C(C)=C2CCCC2)cc1C ZINC001156436477 1380576081 /nfs/dbraw/zinc/57/60/81/1380576081.db2.gz LQXYTNWPYUDTEH-UHFFFAOYSA-N 1 0 330.472 3.490 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3nccc4scnc43)cc2)CC1 ZINC001156657176 1380605263 /nfs/dbraw/zinc/60/52/63/1380605263.db2.gz GDZYOLSLLAWLSM-UHFFFAOYSA-N 1 0 339.468 3.055 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN[C@@H](F)c3ccnc(Cl)c3)cc2)CC1 ZINC001156655809 1380605588 /nfs/dbraw/zinc/60/55/88/1380605588.db2.gz LLBXGDIVMGIWQO-GOSISDBHSA-N 1 0 348.853 3.245 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCC4)cc2)CC1 ZINC001328084623 1388667039 /nfs/dbraw/zinc/66/70/39/1388667039.db2.gz JGZNPIPBMAOATR-UHFFFAOYSA-N 1 0 336.479 3.426 20 10 EGCDRO COc1cc2cc[nH+]c(NCc3ccc(O)c(O)c3)c2cc1OC ZINC001158995878 1381500734 /nfs/dbraw/zinc/50/07/34/1381500734.db2.gz PIYPIHFACSZZRQ-UHFFFAOYSA-N 1 0 326.352 3.275 20 10 EGCDRO [NH3+][C@H](c1ccccc1O)[C@H](Nc1cc(F)ccn1)c1ccccc1O ZINC001160616067 1382154139 /nfs/dbraw/zinc/15/41/39/1382154139.db2.gz CBFBUVXIKOSHDG-RTBURBONSA-N 1 0 339.370 3.485 20 10 EGCDRO Cc1cccc(CNc2nc(Cl)cc(C3CC[NH2+]CC3)n2)c1O ZINC001160769307 1382190747 /nfs/dbraw/zinc/19/07/47/1382190747.db2.gz KOVUDXHRTWSVLZ-UHFFFAOYSA-N 1 0 332.835 3.223 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC001328707863 1388819285 /nfs/dbraw/zinc/81/92/85/1388819285.db2.gz HHMBYAKIJVRYGM-XMMPIXPASA-N 1 0 346.496 3.001 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3C[C@@H]3C)CC2)cc1C ZINC001163265296 1383008393 /nfs/dbraw/zinc/00/83/93/1383008393.db2.gz SMIYUNBNWQVFQS-YOEHRIQHSA-N 1 0 330.472 3.036 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001163321638 1383021805 /nfs/dbraw/zinc/02/18/05/1383021805.db2.gz DGDGCDHAQLDVNB-UYAOXDASSA-N 1 0 325.456 3.417 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ncc2c(n1)CC[NH2+]C2 ZINC001163486631 1383062621 /nfs/dbraw/zinc/06/26/21/1383062621.db2.gz KUYRHLCQDYJAQS-GOSISDBHSA-N 1 0 338.455 3.180 20 10 EGCDRO COc1c(C)cccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167437367 1383634453 /nfs/dbraw/zinc/63/44/53/1383634453.db2.gz SCYUGYRXVLCEMT-UHFFFAOYSA-N 1 0 325.456 3.368 20 10 EGCDRO Cc1nc2ccccc2nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167437334 1383634461 /nfs/dbraw/zinc/63/44/61/1383634461.db2.gz QTLZLBNTSXLYTC-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc(O)cc3O)CCO2)cc1 ZINC001168598195 1383944978 /nfs/dbraw/zinc/94/49/78/1383944978.db2.gz DGZNQKKNGRSREX-HNAYVOBHSA-N 1 0 329.396 3.116 20 10 EGCDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(O)cc3O)CCO2)cc1 ZINC001168598194 1383944982 /nfs/dbraw/zinc/94/49/82/1383944982.db2.gz DGZNQKKNGRSREX-DNVCBOLYSA-N 1 0 329.396 3.116 20 10 EGCDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(O)c(O)c3)CCO2)cc1 ZINC001168603291 1383946049 /nfs/dbraw/zinc/94/60/49/1383946049.db2.gz XFEYFWJXLFDPMO-DNVCBOLYSA-N 1 0 329.396 3.116 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)cc1C ZINC001168830462 1384023108 /nfs/dbraw/zinc/02/31/08/1384023108.db2.gz RPPSZEFSNFNHPB-GOEBONIOSA-N 1 0 334.460 3.491 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)c2ccon2)cc1C ZINC001169528470 1384156703 /nfs/dbraw/zinc/15/67/03/1384156703.db2.gz LOCHOROQXZBSBC-HNNXBMFYSA-N 1 0 345.443 3.070 20 10 EGCDRO CC1(C)C[C@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CO1 ZINC001172290661 1384760823 /nfs/dbraw/zinc/76/08/23/1384760823.db2.gz DUQKZULTNNGADH-AWEZNQCLSA-N 1 0 344.377 3.275 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)cc1C ZINC001172663959 1384829099 /nfs/dbraw/zinc/82/90/99/1384829099.db2.gz IRTWVYKYVFLJEO-IBGZPJMESA-N 1 0 338.451 3.284 20 10 EGCDRO Cc1cc(C)c(C[NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)c(O)c1 ZINC001172663972 1384829744 /nfs/dbraw/zinc/82/97/44/1384829744.db2.gz IVVCAIHHLSFDCA-SFHVURJKSA-N 1 0 338.451 3.290 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2c(C)cccc2F)cc1C ZINC001177464011 1385965751 /nfs/dbraw/zinc/96/57/51/1385965751.db2.gz QKJSUFMUJMRWPM-UHFFFAOYSA-N 1 0 344.430 3.361 20 10 EGCDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319946514 1386409741 /nfs/dbraw/zinc/40/97/41/1386409741.db2.gz NOTOSQCPAOWAFC-INIZCTEOSA-N 1 0 342.462 3.166 20 10 EGCDRO C[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001319951110 1386413013 /nfs/dbraw/zinc/41/30/13/1386413013.db2.gz YLTPDTQWRKQVSP-IBGZPJMESA-N 1 0 347.459 3.180 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCS(=O)(=O)C(C)(C)C ZINC001320252343 1386563574 /nfs/dbraw/zinc/56/35/74/1386563574.db2.gz DLOCUOONYAMUGE-CHWSQXEVSA-N 1 0 325.474 3.052 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC001320257453 1386564117 /nfs/dbraw/zinc/56/41/17/1386564117.db2.gz ANHZXTMQPFYDMO-GUYCJALGSA-N 1 0 336.435 3.325 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C/C(C)(C)C)C2)cc1C ZINC001181739046 1387048722 /nfs/dbraw/zinc/04/87/22/1387048722.db2.gz ABWGCYICVUZAKV-SYJIQKIWSA-N 1 0 330.472 3.296 20 10 EGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337282854 1389293333 /nfs/dbraw/zinc/29/33/33/1389293333.db2.gz VMQIWNUKDWDVCY-MRXNPFEDSA-N 1 0 342.462 3.132 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1O ZINC001342935214 1390674978 /nfs/dbraw/zinc/67/49/78/1390674978.db2.gz OMBFFMIAUKOOGR-DTWKUNHWSA-N 1 0 338.757 3.072 20 10 EGCDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC001348085734 1391170963 /nfs/dbraw/zinc/17/09/63/1391170963.db2.gz KDBFJSOMLYZGHX-KGLIPLIRSA-N 1 0 327.266 3.117 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC001348493054 1391228196 /nfs/dbraw/zinc/22/81/96/1391228196.db2.gz OJBMKOQSFPAELH-OAHLLOKOSA-N 1 0 339.474 3.311 20 10 EGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2c(O)cccc2Br)c1 ZINC001351327174 1391627645 /nfs/dbraw/zinc/62/76/45/1391627645.db2.gz ACBCPZNUCCZBHM-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1C ZINC001754235933 1440554758 /nfs/dbraw/zinc/55/47/58/1440554758.db2.gz UPDOHEPFTPXVTJ-OQIJWPOYSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccsc2)cc1C ZINC001755227072 1440786207 /nfs/dbraw/zinc/78/62/07/1440786207.db2.gz ROVSCEZGHGHDGG-KBPBESRZSA-N 1 0 332.469 3.362 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2CC=CC2)cc1C ZINC001755492093 1440861554 /nfs/dbraw/zinc/86/15/54/1440861554.db2.gz XXHYFYYCAADRGH-INIZCTEOSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2c[nH]cc2C)cc1C ZINC001755534730 1440868887 /nfs/dbraw/zinc/86/88/87/1440868887.db2.gz SKRYKDZGGHSQSI-MRXNPFEDSA-N 1 0 343.471 3.328 20 10 EGCDRO CCc1cccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)c1O ZINC000877697184 1126122152 /nfs/dbraw/zinc/12/21/52/1126122152.db2.gz HPKQUALMMUGHIN-FQEVSTJZSA-N 1 0 329.440 3.047 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CCOCC3)CC2)c1O ZINC000284856626 455752294 /nfs/dbraw/zinc/75/22/94/455752294.db2.gz CZCQFJXBDMSLAF-UHFFFAOYSA-N 1 0 325.836 3.447 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000238102885 455253858 /nfs/dbraw/zinc/25/38/58/455253858.db2.gz NMDOFSHAYIWENL-SFHVURJKSA-N 1 0 346.858 3.209 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1)OCO2 ZINC000238130296 455255679 /nfs/dbraw/zinc/25/56/79/455255679.db2.gz YBUYHLRQPDPJRX-HNNXBMFYSA-N 1 0 344.411 3.031 20 10 EGCDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000054517774 453933232 /nfs/dbraw/zinc/93/32/32/453933232.db2.gz IJDHIDVJTOPENY-HNNXBMFYSA-N 1 0 328.412 3.256 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCc1cccs1 ZINC000076074356 453958444 /nfs/dbraw/zinc/95/84/44/453958444.db2.gz LONKCSSGJXCOLO-CQSZACIVSA-N 1 0 332.469 3.371 20 10 EGCDRO C[C@@H](CC[NH+](C)C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000068599376 454040279 /nfs/dbraw/zinc/04/02/79/454040279.db2.gz OOZAODWMMWUUPP-KRWDZBQOSA-N 1 0 346.519 3.159 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cn4ccccc4n3)CC2)cc1 ZINC000076851251 454043686 /nfs/dbraw/zinc/04/36/86/454043686.db2.gz ZGAJWDHZCVDWHX-UHFFFAOYSA-N 1 0 336.439 3.055 20 10 EGCDRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000089624465 454169180 /nfs/dbraw/zinc/16/91/80/454169180.db2.gz HARUVLFKNHEQPA-CYBMUJFWSA-N 1 0 347.409 3.111 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000184681472 455427340 /nfs/dbraw/zinc/42/73/40/455427340.db2.gz HRYJVXGSHZENFM-NSHDSACASA-N 1 0 337.807 3.125 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000130530361 454202530 /nfs/dbraw/zinc/20/25/30/454202530.db2.gz XPSLXYFZINTROI-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1O ZINC000079465172 454420082 /nfs/dbraw/zinc/42/00/82/454420082.db2.gz RCTCEGLGGUWLRX-GOSISDBHSA-N 1 0 331.387 3.289 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000121757493 454473087 /nfs/dbraw/zinc/47/30/87/454473087.db2.gz CEHGUXNJASESHL-KRWDZBQOSA-N 1 0 335.455 3.175 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cn1 ZINC000092740581 454621841 /nfs/dbraw/zinc/62/18/41/454621841.db2.gz PNMAONVKFFAIPQ-CYBMUJFWSA-N 1 0 347.409 3.172 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000092939045 454656553 /nfs/dbraw/zinc/65/65/53/454656553.db2.gz MJABAFHCSVGGEY-UHFFFAOYSA-N 1 0 340.423 3.407 20 10 EGCDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000161826630 454726568 /nfs/dbraw/zinc/72/65/68/454726568.db2.gz LMXPRBKWMCMQDL-OAHLLOKOSA-N 1 0 335.467 3.335 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)NCCCCCCC[NH+](C)C)cc1 ZINC000140189078 454817552 /nfs/dbraw/zinc/81/75/52/454817552.db2.gz UMFWFGWLPHDKQE-UHFFFAOYSA-N 1 0 348.535 3.406 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C3CCCCC3)CC2)cc1 ZINC000163125540 454824488 /nfs/dbraw/zinc/82/44/88/454824488.db2.gz LMPVLAYONNCZAS-FQEVSTJZSA-N 1 0 332.488 3.195 20 10 EGCDRO C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccccc1Cl ZINC000109769345 454836078 /nfs/dbraw/zinc/83/60/78/454836078.db2.gz CHNDSGHTKHGIOJ-CYBMUJFWSA-N 1 0 332.831 3.355 20 10 EGCDRO COCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163413011 454846031 /nfs/dbraw/zinc/84/60/31/454846031.db2.gz UZTJQWCYMDKWQH-ZDUSSCGKSA-N 1 0 346.393 3.057 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1F ZINC000113358780 454924261 /nfs/dbraw/zinc/92/42/61/454924261.db2.gz KYARHVVPNMJLPU-UHFFFAOYSA-N 1 0 344.409 3.250 20 10 EGCDRO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000179022238 454999992 /nfs/dbraw/zinc/99/99/92/454999992.db2.gz UXWGLWPOVRPYSV-QZEKMECESA-N 1 0 337.467 3.175 20 10 EGCDRO CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1cccc(OC)c1O ZINC000179557597 455057998 /nfs/dbraw/zinc/05/79/98/455057998.db2.gz KBPQDOWPQYGLAF-KRWDZBQOSA-N 1 0 343.423 3.007 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cccc4nccn43)CC2)cc1 ZINC000179826227 455085493 /nfs/dbraw/zinc/08/54/93/455085493.db2.gz FRVLFRNHAQSDFM-UHFFFAOYSA-N 1 0 336.439 3.055 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000156410549 455114723 /nfs/dbraw/zinc/11/47/23/455114723.db2.gz YOMDWZGYCQUYJM-ZBFHGGJFSA-N 1 0 343.446 3.433 20 10 EGCDRO Cc1cccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)c1 ZINC000183415556 455290888 /nfs/dbraw/zinc/29/08/88/455290888.db2.gz YBAVKOZXEXPCDB-YLJYHZDGSA-N 1 0 340.467 3.425 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1O ZINC000190275057 455292724 /nfs/dbraw/zinc/29/27/24/455292724.db2.gz UMPURZDOGLILDF-GOSISDBHSA-N 1 0 335.831 3.442 20 10 EGCDRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183518323 455302307 /nfs/dbraw/zinc/30/23/07/455302307.db2.gz LTJUFHMUGOUQOL-DZGCQCFKSA-N 1 0 326.481 3.455 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1O ZINC000183524246 455302916 /nfs/dbraw/zinc/30/29/16/455302916.db2.gz HCKOGEHAXPVEBH-MEDUHNTESA-N 1 0 349.814 3.201 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(C)n1-c1ccc(F)cc1 ZINC000158629756 455317581 /nfs/dbraw/zinc/31/75/81/455317581.db2.gz CSYFCTUGRKTRGM-HXUWFJFHSA-N 1 0 341.430 3.059 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000174508845 455398238 /nfs/dbraw/zinc/39/82/38/455398238.db2.gz OHUHNKCBPGWPSL-RTBURBONSA-N 1 0 348.462 3.100 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000184858479 455462275 /nfs/dbraw/zinc/46/22/75/455462275.db2.gz JDUPOWCPTUHTRI-INIZCTEOSA-N 1 0 348.487 3.087 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c(O)c1 ZINC000184919330 455472797 /nfs/dbraw/zinc/47/27/97/455472797.db2.gz YUQNECJTRZELFE-XLIONFOSSA-N 1 0 340.467 3.425 20 10 EGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185123165 455506022 /nfs/dbraw/zinc/50/60/22/455506022.db2.gz YDMREEVWBTWMBX-ZIAGYGMSSA-N 1 0 348.468 3.021 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c1O ZINC000191683959 455509165 /nfs/dbraw/zinc/50/91/65/455509165.db2.gz HYIABTXOUJFXKS-MRXNPFEDSA-N 1 0 335.831 3.056 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1CO ZINC000191731052 455514260 /nfs/dbraw/zinc/51/42/60/455514260.db2.gz UYGMIQLAYMVITP-QAPCUYQASA-N 1 0 327.424 3.031 20 10 EGCDRO COCCCN1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185314587 455537907 /nfs/dbraw/zinc/53/79/07/455537907.db2.gz DKMZWRGMNUTPNA-MRXNPFEDSA-N 1 0 346.515 3.423 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1O ZINC000185477837 455563690 /nfs/dbraw/zinc/56/36/90/455563690.db2.gz FPOWFPUNFIZPNR-UHFFFAOYSA-N 1 0 343.398 3.218 20 10 EGCDRO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc(Br)ccc1O ZINC000185674234 455593434 /nfs/dbraw/zinc/59/34/34/455593434.db2.gz KNAWFDPDMVQYPT-YKJXYISPSA-N 1 0 348.240 3.464 20 10 EGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000271350667 455608013 /nfs/dbraw/zinc/60/80/13/455608013.db2.gz HQTUYIIEKJFNLY-OAHLLOKOSA-N 1 0 329.419 3.217 20 10 EGCDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185826053 455630314 /nfs/dbraw/zinc/63/03/14/455630314.db2.gz KXERVTHKBNUHJW-UGSOOPFHSA-N 1 0 331.412 3.184 20 10 EGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000271493381 455658991 /nfs/dbraw/zinc/65/89/91/455658991.db2.gz UWKIGMVNLMTNQK-OAHLLOKOSA-N 1 0 343.446 3.341 20 10 EGCDRO CC(=O)c1cc(F)cc(CN(C)Cc2c(C)nc3sccn32)c1O ZINC000268465160 455690058 /nfs/dbraw/zinc/69/00/58/455690058.db2.gz GARWHESHWHFYMK-UHFFFAOYSA-N 1 0 347.415 3.384 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192849417 455706228 /nfs/dbraw/zinc/70/62/28/455706228.db2.gz NZGGZFAJHHEQGC-NWDGAFQWSA-N 1 0 329.400 3.303 20 10 EGCDRO C[C@H]([NH2+]CC1CCSCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268903848 455724489 /nfs/dbraw/zinc/72/44/89/455724489.db2.gz RBVNHFUKTDEZGN-AWEZNQCLSA-N 1 0 338.492 3.456 20 10 EGCDRO COc1cccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1O ZINC000293073958 455773483 /nfs/dbraw/zinc/77/34/83/455773483.db2.gz VORZNAZWWBVUTG-UHFFFAOYSA-N 1 0 326.318 3.147 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c(O)c1 ZINC000293535558 455790170 /nfs/dbraw/zinc/79/01/70/455790170.db2.gz CESMYGBQWHKTNS-LJQANCHMSA-N 1 0 344.455 3.425 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)cc1OC ZINC000271870220 455793204 /nfs/dbraw/zinc/79/32/04/455793204.db2.gz XJPLLNDQPJEGGJ-BLVKFPJESA-N 1 0 349.402 3.414 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nc(N2CCCC2)n1 ZINC000293651122 455794023 /nfs/dbraw/zinc/79/40/23/455794023.db2.gz LGWRVYPMKNVMRZ-INIZCTEOSA-N 1 0 339.487 3.302 20 10 EGCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293930248 455801651 /nfs/dbraw/zinc/80/16/51/455801651.db2.gz XXUNQQMOBAYLOJ-KBXCAEBGSA-N 1 0 345.439 3.410 20 10 EGCDRO COc1c(O)c(C[NH+]2CCC(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278274837 455804460 /nfs/dbraw/zinc/80/44/60/455804460.db2.gz SFCWIPQRJMDUAI-UHFFFAOYSA-N 1 0 334.294 3.083 20 10 EGCDRO COC[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)OC ZINC000294360318 455812797 /nfs/dbraw/zinc/81/27/97/455812797.db2.gz QJBHEDAQDJFSPX-MJGOQNOKSA-N 1 0 329.440 3.317 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000269248957 455821693 /nfs/dbraw/zinc/82/16/93/455821693.db2.gz ZFADKZGVPQSYGH-NVXWUHKLSA-N 1 0 325.456 3.212 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(OC)c(OC)c1 ZINC000285360417 455829850 /nfs/dbraw/zinc/82/98/50/455829850.db2.gz BMDXANOTRDSIPS-CQSZACIVSA-N 1 0 345.395 3.379 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3c(C)cc(C)cc3O)CC2)n[nH]1 ZINC000285386559 455834139 /nfs/dbraw/zinc/83/41/39/455834139.db2.gz WPLCOIJTAOTFOW-HNNXBMFYSA-N 1 0 328.460 3.360 20 10 EGCDRO COc1c(O)c(C[NH2+][C@@H](C)c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000278507186 455837538 /nfs/dbraw/zinc/83/75/38/455837538.db2.gz OZNQQHOAHMIOGB-VIFPVBQESA-N 1 0 338.310 3.438 20 10 EGCDRO COc1cc(O)c(C[NH2+]C2CCC(CSC)CC2)cc1OC ZINC000295099597 455838365 /nfs/dbraw/zinc/83/83/65/455838365.db2.gz SNNRESUTGWRQCU-UHFFFAOYSA-N 1 0 325.474 3.421 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2F)C[C@@H](C)O1 ZINC000278844621 455850634 /nfs/dbraw/zinc/85/06/34/455850634.db2.gz KHRSSBVQQYAGQI-INMHGKMJSA-N 1 0 334.435 3.222 20 10 EGCDRO C=Cn1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000278902580 455852551 /nfs/dbraw/zinc/85/25/51/455852551.db2.gz RJOHRVKCPVCQEM-GASCZTMLSA-N 1 0 344.434 3.026 20 10 EGCDRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295787583 455859649 /nfs/dbraw/zinc/85/96/49/455859649.db2.gz ACCRWQBJMFBFHI-MJGOQNOKSA-N 1 0 327.424 3.490 20 10 EGCDRO Oc1ccc(C2=CC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000194581590 455860895 /nfs/dbraw/zinc/86/08/95/455860895.db2.gz YBIFJJVIHUUYMO-UHFFFAOYSA-N 1 0 325.364 3.116 20 10 EGCDRO COc1cccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c1O ZINC000279527361 455866404 /nfs/dbraw/zinc/86/64/04/455866404.db2.gz ZCOMRWQCROMYCL-UHFFFAOYSA-N 1 0 341.455 3.313 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000296086692 455868115 /nfs/dbraw/zinc/86/81/15/455868115.db2.gz SWYRFNZMBVLZJQ-KRWDZBQOSA-N 1 0 342.414 3.145 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCSC[C@@H](C)C3)cc2)CC1 ZINC000296167438 455871231 /nfs/dbraw/zinc/87/12/31/455871231.db2.gz ZFQAJQPMZBGRCP-INIZCTEOSA-N 1 0 334.529 3.487 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC000279914287 455876739 /nfs/dbraw/zinc/87/67/39/455876739.db2.gz SKQBLDWMMBLJFJ-AYBZRNKSSA-N 1 0 330.472 3.354 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)CCc3ccncc3)cc2)CC1 ZINC000296202737 455879055 /nfs/dbraw/zinc/87/90/55/455879055.db2.gz FKHDLQRYNUJEHN-UHFFFAOYSA-N 1 0 339.483 3.371 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccc(C)cc1O ZINC000280101407 455892415 /nfs/dbraw/zinc/89/24/15/455892415.db2.gz NBZWEGWVZSYJTL-PKOBYXMFSA-N 1 0 345.439 3.492 20 10 EGCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000285677412 455894048 /nfs/dbraw/zinc/89/40/48/455894048.db2.gz NJIHHEYOQICWBJ-QGZVFWFLSA-N 1 0 338.517 3.151 20 10 EGCDRO CCCN(Cc1cn(C)nc1-c1ccncc1)c1ccc(C[NH3+])cc1 ZINC000194978483 455909483 /nfs/dbraw/zinc/90/94/83/455909483.db2.gz CQZHYGAEEPYSNN-UHFFFAOYSA-N 1 0 335.455 3.357 20 10 EGCDRO C[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296335468 455911609 /nfs/dbraw/zinc/91/16/09/455911609.db2.gz HNVLAWPPBVGCLD-JKSUJKDBSA-N 1 0 331.504 3.427 20 10 EGCDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCCN1C1CCCCC1 ZINC000296349116 455915262 /nfs/dbraw/zinc/91/52/62/455915262.db2.gz HIVOFBKOXKYUGH-DLBZAZTESA-N 1 0 328.456 3.293 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000272328288 455915808 /nfs/dbraw/zinc/91/58/08/455915808.db2.gz VONLOZAXGOFUSP-IUODEOHRSA-N 1 0 338.423 3.266 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(F)c(F)c1[O-] ZINC000187830019 455957678 /nfs/dbraw/zinc/95/76/78/455957678.db2.gz HBLAXZSPKYXAOE-RYUDHWBXSA-N 1 0 327.371 3.397 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280411829 455966507 /nfs/dbraw/zinc/96/65/07/455966507.db2.gz YOPZLORIURXUCX-CQSZACIVSA-N 1 0 341.329 3.422 20 10 EGCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(N3CCCCC3)cc1)C[C@@H](C)O2 ZINC000280453234 455975045 /nfs/dbraw/zinc/97/50/45/455975045.db2.gz LMMOZNLFXGVPHY-LVCYWYKZSA-N 1 0 344.499 3.445 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(Br)cc1O ZINC000188028388 455982152 /nfs/dbraw/zinc/98/21/52/455982152.db2.gz NMPRJMYYPSWRSQ-MISXGVKJSA-N 1 0 328.250 3.356 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2([S@@](C)=O)CC2)cc1 ZINC000296700400 456014105 /nfs/dbraw/zinc/01/41/05/456014105.db2.gz IEHLOUMUVOTJRW-HSZRJFAPSA-N 1 0 348.537 3.385 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000272696450 456043646 /nfs/dbraw/zinc/04/36/46/456043646.db2.gz RYIPFGQBGUVZHP-UHFFFAOYSA-N 1 0 329.410 3.259 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1O ZINC000287394491 456068186 /nfs/dbraw/zinc/06/81/86/456068186.db2.gz IUZPPEXLYBRYLS-RDJZCZTQSA-N 1 0 331.460 3.113 20 10 EGCDRO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287584204 456072091 /nfs/dbraw/zinc/07/20/91/456072091.db2.gz HQLTZHGYSCLIMG-XJKSGUPXSA-N 1 0 328.884 3.443 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCc2cnn(C)c2)c(C(F)(F)F)c1 ZINC000280890787 456072956 /nfs/dbraw/zinc/07/29/56/456072956.db2.gz NUQVDJPZIJCNFF-UHFFFAOYSA-N 1 0 340.393 3.227 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)ccc1OC ZINC000270972449 456082283 /nfs/dbraw/zinc/08/22/83/456082283.db2.gz JRKMYAFVTHONCD-DZGCQCFKSA-N 1 0 335.366 3.023 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H](CC)[C@H](O)C(F)(F)F)ccc1OC ZINC000270972451 456082302 /nfs/dbraw/zinc/08/23/02/456082302.db2.gz JRKMYAFVTHONCD-HIFRSBDPSA-N 1 0 335.366 3.023 20 10 EGCDRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000188703851 456117741 /nfs/dbraw/zinc/11/77/41/456117741.db2.gz YGTLQGLDAHZTMO-UHFFFAOYSA-N 1 0 346.519 3.160 20 10 EGCDRO CCCn1c(C[NH2+]Cc2cccc(OC)c2O)nc2ccccc21 ZINC000289507060 456128680 /nfs/dbraw/zinc/12/86/80/456128680.db2.gz UGBMKWWQJDPZQL-UHFFFAOYSA-N 1 0 325.412 3.450 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1O ZINC000271141215 456139639 /nfs/dbraw/zinc/13/96/39/456139639.db2.gz VDAHZUYDYXCWCW-UHFFFAOYSA-N 1 0 349.434 3.271 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c(O)c1 ZINC000297227309 456155398 /nfs/dbraw/zinc/15/53/98/456155398.db2.gz HPTZULNKRSHLTK-QQFBHYJXSA-N 1 0 339.501 3.263 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297252520 456163138 /nfs/dbraw/zinc/16/31/38/456163138.db2.gz JKMWXVGFBBDQDN-ROUUACIJSA-N 1 0 326.440 3.281 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)nc1OC)c1ccc(N(C)C)cc1 ZINC000290019089 456218130 /nfs/dbraw/zinc/21/81/30/456218130.db2.gz CFGAZKWGFXZQHL-QGZVFWFLSA-N 1 0 329.444 3.406 20 10 EGCDRO C[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(F)ccc1O ZINC000297433236 456220157 /nfs/dbraw/zinc/22/01/57/456220157.db2.gz VMTAFTBHEIWECD-YZOIGVHSSA-N 1 0 336.407 3.047 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273296444 456222070 /nfs/dbraw/zinc/22/20/70/456222070.db2.gz ACTCUCWPYUCECP-CQSZACIVSA-N 1 0 333.453 3.096 20 10 EGCDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccs1 ZINC000237115992 456234685 /nfs/dbraw/zinc/23/46/85/456234685.db2.gz LTOGDPFAHOUYBF-HNAYVOBHSA-N 1 0 343.496 3.072 20 10 EGCDRO C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(F)cc1O ZINC000273536966 456237453 /nfs/dbraw/zinc/23/74/53/456237453.db2.gz XOJXOZVMXSUQTC-BBRMVZONSA-N 1 0 344.434 3.240 20 10 EGCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(OC)c(C)c1)n2C ZINC000274599232 456261760 /nfs/dbraw/zinc/26/17/60/456261760.db2.gz PJQCOOQGTKQZAS-UHFFFAOYSA-N 1 0 325.412 3.189 20 10 EGCDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000290192028 456263365 /nfs/dbraw/zinc/26/33/65/456263365.db2.gz OJKLOZYFDKUTFQ-VBKZILBWSA-N 1 0 345.439 3.054 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2CC)cc1 ZINC000275678786 456283958 /nfs/dbraw/zinc/28/39/58/456283958.db2.gz WCHXMPRRYSAFEV-OALUTQOASA-N 1 0 342.487 3.369 20 10 EGCDRO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000282009056 456388345 /nfs/dbraw/zinc/38/83/45/456388345.db2.gz REFLIPVIQKMROU-QGZVFWFLSA-N 1 0 347.462 3.262 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccc1 ZINC000298499842 456474867 /nfs/dbraw/zinc/47/48/67/456474867.db2.gz YQOVLOSHHWUCDH-KRWDZBQOSA-N 1 0 337.467 3.308 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000283694806 456826012 /nfs/dbraw/zinc/82/60/12/456826012.db2.gz RJGFJEOKBPULSD-CRAIPNDOSA-N 1 0 345.487 3.187 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c1O ZINC000378125855 457380687 /nfs/dbraw/zinc/38/06/87/457380687.db2.gz BOAYAYNCIRHXML-MRXNPFEDSA-N 1 0 342.277 3.304 20 10 EGCDRO CO[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000378169199 457381176 /nfs/dbraw/zinc/38/11/76/457381176.db2.gz OBJGFODUSJVZHN-CHWSQXEVSA-N 1 0 328.403 3.270 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)COCC(F)(F)F)CC2)cc1 ZINC000370652683 457691721 /nfs/dbraw/zinc/69/17/21/457691721.db2.gz HZILBCNHBWOOER-ZDUSSCGKSA-N 1 0 346.393 3.221 20 10 EGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000366589657 457861808 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Cc1nccc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000742406207 576780444 /nfs/dbraw/zinc/78/04/44/576780444.db2.gz GPSLMLBNICKAPE-OAHLLOKOSA-N 1 0 332.835 3.221 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)N2CCC[C@H]2C)cc1 ZINC000743839789 576816489 /nfs/dbraw/zinc/81/64/89/576816489.db2.gz ZNFYRGJJJUAMLL-QGZVFWFLSA-N 1 0 331.504 3.366 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820926011 606999421 /nfs/dbraw/zinc/99/94/21/606999421.db2.gz OSLLSWMMRZDPJA-GOSISDBHSA-N 1 0 336.443 3.174 20 10 EGCDRO COc1ccc(C[NH2+]CC2(O)CCCCCC2)cc1Cn1cccn1 ZINC000873054876 1297250867 /nfs/dbraw/zinc/25/08/67/1297250867.db2.gz ZLSOWYKWNXERDK-UHFFFAOYSA-N 1 0 343.471 3.115 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c1O ZINC000691437978 1298134084 /nfs/dbraw/zinc/13/40/84/1298134084.db2.gz ZXNUXNQLVFVOEP-INIZCTEOSA-N 1 0 334.460 3.348 20 10 EGCDRO OC[C@H](CC1CCCCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877594643 1299421176 /nfs/dbraw/zinc/42/11/76/1299421176.db2.gz XPTRJKRDAPRHOU-IBGZPJMESA-N 1 0 346.515 3.069 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794802071 1309599047 /nfs/dbraw/zinc/59/90/47/1309599047.db2.gz MDOAYKBXONPVMH-QGZVFWFLSA-N 1 0 330.403 3.310 20 10 EGCDRO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386858 1291173519 /nfs/dbraw/zinc/17/35/19/1291173519.db2.gz MRYWSTLEMZMAOJ-INIZCTEOSA-N 1 0 331.504 3.412 20 10 EGCDRO Cn1cc(C[N@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)cn1 ZINC000047272466 1291570588 /nfs/dbraw/zinc/57/05/88/1291570588.db2.gz KTAGJUGIVSBOCV-UHFFFAOYSA-N 1 0 325.412 3.383 20 10 EGCDRO COc1ccc(N2CC[NH+](CCOc3ccccc3C)CC2)cc1 ZINC000058126798 1291880218 /nfs/dbraw/zinc/88/02/18/1291880218.db2.gz UIDMDIKIHXXXCO-UHFFFAOYSA-N 1 0 326.440 3.205 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000076074426 1292419043 /nfs/dbraw/zinc/41/90/43/1292419043.db2.gz OGYGCMDDEFMWHA-OAHLLOKOSA-N 1 0 344.430 3.448 20 10 EGCDRO COCCCOCC[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828624002 1292484809 /nfs/dbraw/zinc/48/48/09/1292484809.db2.gz BVFLSMZOMOMNOO-UHFFFAOYSA-N 1 0 334.504 3.470 20 10 EGCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H](C)[NH3+] ZINC000828982561 1292525465 /nfs/dbraw/zinc/52/54/65/1292525465.db2.gz HFCCHLJVQFACOE-VQIMIIECSA-N 1 0 331.504 3.159 20 10 EGCDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3=CC(=O)CS3)cc2)C1 ZINC000829423568 1292572344 /nfs/dbraw/zinc/57/23/44/1292572344.db2.gz VAKYTDKECQWOBP-ZDUSSCGKSA-N 1 0 346.452 3.427 20 10 EGCDRO Cc1cccc2c(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)coc21 ZINC000832266001 1292978153 /nfs/dbraw/zinc/97/81/53/1292978153.db2.gz CINHUYJUKMZLIM-SFHVURJKSA-N 1 0 337.423 3.237 20 10 EGCDRO CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832266657 1292978472 /nfs/dbraw/zinc/97/84/72/1292978472.db2.gz HVHDQSAHZBFIOI-IEZWGBDMSA-N 1 0 331.504 3.331 20 10 EGCDRO CC(C)c1ccsc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280305 1292980453 /nfs/dbraw/zinc/98/04/53/1292980453.db2.gz OSWCYEKBOFEUGM-MRXNPFEDSA-N 1 0 331.485 3.367 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C3CCC3)cc2)cc1 ZINC000832286064 1292982021 /nfs/dbraw/zinc/98/20/21/1292982021.db2.gz VVQYEHPGKKYGKL-HXUWFJFHSA-N 1 0 337.467 3.450 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000832286105 1292982215 /nfs/dbraw/zinc/98/22/15/1292982215.db2.gz WEBVGNIGZCBAAC-INIZCTEOSA-N 1 0 343.496 3.123 20 10 EGCDRO CC[NH+](CC)[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000104853262 1293027551 /nfs/dbraw/zinc/02/75/51/1293027551.db2.gz HXHXURWOSKIBEB-IBGZPJMESA-N 1 0 326.440 3.434 20 10 EGCDRO COc1ccccc1CC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000105495021 1293041050 /nfs/dbraw/zinc/04/10/50/1293041050.db2.gz QFVIBUKNJNKERK-UHFFFAOYSA-N 1 0 329.396 3.240 20 10 EGCDRO O=C(CC[N@H+](Cc1ccco1)Cc1ccccc1O)N1CCCCC1 ZINC000111232750 1293102259 /nfs/dbraw/zinc/10/22/59/1293102259.db2.gz FDSUBRXDJYGMRK-UHFFFAOYSA-N 1 0 342.439 3.390 20 10 EGCDRO O=C(CCC[NH2+]Cc1cc(Cl)ccc1O)N1Cc2ccccc2C1 ZINC000111405668 1293104106 /nfs/dbraw/zinc/10/41/06/1293104106.db2.gz MMKMPRREDUMDJN-UHFFFAOYSA-N 1 0 344.842 3.458 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCn4ccnc43)CC2)cc1 ZINC000834558239 1293117264 /nfs/dbraw/zinc/11/72/64/1293117264.db2.gz DNJDKUSRLDSGME-MRXNPFEDSA-N 1 0 348.397 3.188 20 10 EGCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000834672781 1293131852 /nfs/dbraw/zinc/13/18/52/1293131852.db2.gz JITFFSKUEIMGEQ-OKYOBFRVSA-N 1 0 348.446 3.126 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1O ZINC000834899874 1293169635 /nfs/dbraw/zinc/16/96/35/1293169635.db2.gz LOFPERHWOCTTNL-UHIISALHSA-N 1 0 328.250 3.356 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C2CCC2)c1O ZINC000834904748 1293171175 /nfs/dbraw/zinc/17/11/75/1293171175.db2.gz CDOYUKNOJDVMND-HZMBPMFUSA-N 1 0 328.250 3.275 20 10 EGCDRO C[C@@H](NCC[N@@H+]1CCCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834907954 1293172520 /nfs/dbraw/zinc/17/25/20/1293172520.db2.gz AZMQMJVGFANHJJ-MRXNPFEDSA-N 1 0 349.494 3.187 20 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C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000153100259 1293998542 /nfs/dbraw/zinc/99/85/42/1293998542.db2.gz FNTODIINZDIXRQ-RBUKOAKNSA-N 1 0 345.531 3.296 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000153854799 1294031132 /nfs/dbraw/zinc/03/11/32/1294031132.db2.gz OYCILALLCOJNDP-CQSZACIVSA-N 1 0 340.851 3.439 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000154045831 1294039503 /nfs/dbraw/zinc/03/95/03/1294039503.db2.gz YCQUUXAROGPOLF-WBMJQRKESA-N 1 0 329.419 3.185 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccc1C ZINC000159037894 1294223289 /nfs/dbraw/zinc/22/32/89/1294223289.db2.gz JKGZXAISRXYYIJ-OAQYLSRUSA-N 1 0 337.467 3.228 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000164216366 1294345110 /nfs/dbraw/zinc/34/51/10/1294345110.db2.gz MODIENBEVUAOLO-UHFFFAOYSA-N 1 0 331.847 3.380 20 10 EGCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000177702417 1294688501 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COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000706505009 1298220092 /nfs/dbraw/zinc/22/00/92/1298220092.db2.gz PHYWSCDNZUMJPY-STQMWFEESA-N 1 0 338.448 3.307 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)C12CCC2 ZINC000713460025 1298268993 /nfs/dbraw/zinc/26/89/93/1298268993.db2.gz OVFSJTYANKZURT-ZIAGYGMSSA-N 1 0 326.234 3.202 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000715095031 1298277001 /nfs/dbraw/zinc/27/70/01/1298277001.db2.gz AYVNLTFLOMVQFZ-FZNQNYSPSA-N 1 0 332.444 3.014 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000725841781 1298372940 /nfs/dbraw/zinc/37/29/40/1298372940.db2.gz ZNWRSKRLPCXIPR-MRXNPFEDSA-N 1 0 330.428 3.311 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]C[C@H]2COCCO2)c(O)c(C(C)(C)C)c1 ZINC000725846448 1298374924 /nfs/dbraw/zinc/37/49/24/1298374924.db2.gz FIZQVMLOHJIALH-INIZCTEOSA-N 1 0 335.488 3.492 20 10 EGCDRO COC(=O)c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)on1 ZINC000876721096 1298938275 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OC1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]3Cc3ccccc3)cc2)CC1 ZINC000877045139 1299129577 /nfs/dbraw/zinc/12/95/77/1299129577.db2.gz QLOZVODUOKWZHF-UGKGYDQZSA-N 1 0 336.479 3.369 20 10 EGCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(C)cc3O)C2)c1 ZINC000877079445 1299148868 /nfs/dbraw/zinc/14/88/68/1299148868.db2.gz YXEIFNAUZQIXNK-INIZCTEOSA-N 1 0 342.439 3.086 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c(O)c1 ZINC000877084649 1299150463 /nfs/dbraw/zinc/15/04/63/1299150463.db2.gz NUGKSQJAQJTDGF-UHFFFAOYSA-N 1 0 337.322 3.321 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000749175554 1299159909 /nfs/dbraw/zinc/15/99/09/1299159909.db2.gz JTKWBERQBZCEMO-LJQANCHMSA-N 1 0 329.488 3.118 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749350838 1299198776 /nfs/dbraw/zinc/19/87/76/1299198776.db2.gz IVSHQWITOQHWBH-GOSISDBHSA-N 1 0 339.483 3.392 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c(C)n1-c1ccc(F)cc1 ZINC000877292964 1299238766 /nfs/dbraw/zinc/23/87/66/1299238766.db2.gz UJOVRDIUKDAXSI-WKILWMFISA-N 1 0 329.419 3.233 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000749927323 1299301474 /nfs/dbraw/zinc/30/14/74/1299301474.db2.gz UNTCSCGNYXPSDK-SFHVURJKSA-N 1 0 343.858 3.301 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC000877598907 1299423610 /nfs/dbraw/zinc/42/36/10/1299423610.db2.gz WLMPAZYYNOVLMI-STQMWFEESA-N 1 0 329.271 3.305 20 10 EGCDRO Cn1c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc2ccccc21 ZINC000877637025 1299444811 /nfs/dbraw/zinc/44/48/11/1299444811.db2.gz NJVBGCHPDTUBHA-UHFFFAOYSA-N 1 0 349.478 3.429 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000750826853 1299459621 /nfs/dbraw/zinc/45/96/21/1299459621.db2.gz RNNILXQDTAIJRG-CYBMUJFWSA-N 1 0 331.387 3.117 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1O ZINC000877755968 1299532054 /nfs/dbraw/zinc/53/20/54/1299532054.db2.gz VBZBNSXSBVLNRQ-CYBMUJFWSA-N 1 0 342.399 3.015 20 10 EGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1(C)C ZINC000753374755 1299924262 /nfs/dbraw/zinc/92/42/62/1299924262.db2.gz UIFMKPZEWGRJLP-ROUUACIJSA-N 1 0 347.459 3.488 20 10 EGCDRO OC[C@@H](CC1CC1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753570206 1299977830 /nfs/dbraw/zinc/97/78/30/1299977830.db2.gz ISTANWMVEJHMFX-GOSISDBHSA-N 1 0 327.424 3.222 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)C2CCC(NC(C)=O)CC2)cc1 ZINC000753590416 1299984327 /nfs/dbraw/zinc/98/43/27/1299984327.db2.gz NLOAUQSUBMVAOP-UHFFFAOYSA-N 1 0 331.504 3.412 20 10 EGCDRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000753659506 1300002239 /nfs/dbraw/zinc/00/22/39/1300002239.db2.gz UBPYILQSZLKTPK-AWEZNQCLSA-N 1 0 341.407 3.024 20 10 EGCDRO CCC1CCC([N@H+](CCO)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000754154460 1300096781 /nfs/dbraw/zinc/09/67/81/1300096781.db2.gz OZKJWELMXPJGFE-UHFFFAOYSA-N 1 0 346.515 3.286 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000879145842 1300398600 /nfs/dbraw/zinc/39/86/00/1300398600.db2.gz YLQWXFWWTFPMGY-WOJBJXKFSA-N 1 0 332.488 3.037 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000756031943 1300428419 /nfs/dbraw/zinc/42/84/19/1300428419.db2.gz CTXNFPNMRVGYDW-ZAMGYDSWSA-N 1 0 333.453 3.379 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000756031945 1300428797 /nfs/dbraw/zinc/42/87/97/1300428797.db2.gz CTXNFPNMRVGYDW-ZLOXQWCVSA-N 1 0 333.453 3.379 20 10 EGCDRO CC(C)[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)N1CCOCC1 ZINC000756371318 1300478334 /nfs/dbraw/zinc/47/83/34/1300478334.db2.gz YQDJLEGZJJIDMY-UZLBHIALSA-N 1 0 346.515 3.278 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)c2c1c(F)ccc2O ZINC000756453734 1300494833 /nfs/dbraw/zinc/49/48/33/1300494833.db2.gz HXVGWYLWCPITDU-PVXIVEMSSA-N 1 0 349.377 3.248 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c(O)c1C ZINC000756457770 1300496169 /nfs/dbraw/zinc/49/61/69/1300496169.db2.gz LBNQVYCIHWFWPH-ZBFHGGJFSA-N 1 0 333.403 3.239 20 10 EGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756456599 1300496547 /nfs/dbraw/zinc/49/65/47/1300496547.db2.gz YNIQNXVHIGEWRC-IRXDYDNUSA-N 1 0 329.440 3.408 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1CO)c1cc(Br)ccc1O ZINC000756462087 1300497676 /nfs/dbraw/zinc/49/76/76/1300497676.db2.gz YTWZDFZEUUKZIS-NSHDSACASA-N 1 0 336.229 3.498 20 10 EGCDRO CNC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756465846 1300498892 /nfs/dbraw/zinc/49/88/92/1300498892.db2.gz MDOGOJMPKNMDGR-NHYWBVRUSA-N 1 0 328.387 3.229 20 10 EGCDRO COCCCN1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756527972 1300515143 /nfs/dbraw/zinc/51/51/43/1300515143.db2.gz LMLXRSHVTUFOGO-BBRMVZONSA-N 1 0 336.451 3.170 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c2c1c(F)ccc2O ZINC000756737919 1300556678 /nfs/dbraw/zinc/55/66/78/1300556678.db2.gz HZAOOTSJGDUZAA-BYNQJWBRSA-N 1 0 341.448 3.025 20 10 EGCDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649168 1300649241 /nfs/dbraw/zinc/64/92/41/1300649241.db2.gz NHVPLEHRVVLEMY-CVEARBPZSA-N 1 0 326.440 3.398 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(N(C)C)cc1 ZINC000757660212 1300706246 /nfs/dbraw/zinc/70/62/46/1300706246.db2.gz BPXDDYBKOWOCJS-HXUWFJFHSA-N 1 0 337.467 3.279 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000758052271 1300777227 /nfs/dbraw/zinc/77/72/27/1300777227.db2.gz PZGRSZKLJBFJOY-UHFFFAOYSA-N 1 0 325.456 3.180 20 10 EGCDRO C[N@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@@H]1CCNC1=O ZINC000758409009 1300875006 /nfs/dbraw/zinc/87/50/06/1300875006.db2.gz PXURRCQNBDALRS-MRXNPFEDSA-N 1 0 332.488 3.308 20 10 EGCDRO Cn1nc(C[NH2+]Cc2cc(Br)ccc2O)c2ccccc21 ZINC000759192103 1301037041 /nfs/dbraw/zinc/03/70/41/1301037041.db2.gz WOJACEXQRPWVKV-UHFFFAOYSA-N 1 0 346.228 3.331 20 10 EGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761215650 1301421457 /nfs/dbraw/zinc/42/14/57/1301421457.db2.gz LBVPQAVMXZWLOB-AWEZNQCLSA-N 1 0 339.819 3.385 20 10 EGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761214201 1301422021 /nfs/dbraw/zinc/42/20/21/1301422021.db2.gz ABJXBYGHOALGII-MRXNPFEDSA-N 1 0 335.831 3.402 20 10 EGCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000761225397 1301424648 /nfs/dbraw/zinc/42/46/48/1301424648.db2.gz GSGFBRKKLOXEPJ-IBGZPJMESA-N 1 0 340.467 3.497 20 10 EGCDRO CCC/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981938 1301581723 /nfs/dbraw/zinc/58/17/23/1301581723.db2.gz JTFRHNRVYFTRLP-OUOZUETKSA-N 1 0 336.863 3.483 20 10 EGCDRO CC[C@@H](C)[C@@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000764675712 1302115757 /nfs/dbraw/zinc/11/57/57/1302115757.db2.gz HIMALDCVLFGJPZ-QZTJIDSGSA-N 1 0 333.520 3.232 20 10 EGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765285353 1302236294 /nfs/dbraw/zinc/23/62/94/1302236294.db2.gz ALKWUPJISKMCDE-DOTOQJQBSA-N 1 0 330.447 3.394 20 10 EGCDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765328788 1302247537 /nfs/dbraw/zinc/24/75/37/1302247537.db2.gz YBORQTIZOFJECW-FXAWDEMLSA-N 1 0 342.483 3.460 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(N(C)C)cc1 ZINC000765351848 1302251275 /nfs/dbraw/zinc/25/12/75/1302251275.db2.gz UJALKRJBGUOTLB-OAHLLOKOSA-N 1 0 337.467 3.496 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)(F)F ZINC000765788969 1302327021 /nfs/dbraw/zinc/32/70/21/1302327021.db2.gz RYLHIKGHYSLIGY-HIFRSBDPSA-N 1 0 336.373 3.463 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)c(O)c1 ZINC000883287256 1302365577 /nfs/dbraw/zinc/36/55/77/1302365577.db2.gz PQCNHKOJDSPUEO-HNNXBMFYSA-N 1 0 339.439 3.389 20 10 EGCDRO Cc1nc([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000883289288 1302367389 /nfs/dbraw/zinc/36/73/89/1302367389.db2.gz KAUMXLMKYAAKMW-AWEZNQCLSA-N 1 0 330.501 3.054 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)c2c1c(F)ccc2O ZINC000768284184 1302873111 /nfs/dbraw/zinc/87/31/11/1302873111.db2.gz BDRMKJHIXUYOJC-GWCFXTLKSA-N 1 0 333.432 3.214 20 10 EGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCCc2ccccc21 ZINC000768441934 1302902390 /nfs/dbraw/zinc/90/23/90/1302902390.db2.gz RBRFDCQMDDZRFJ-IEBWSBKVSA-N 1 0 325.408 3.327 20 10 EGCDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445683 1302907010 /nfs/dbraw/zinc/90/70/10/1302907010.db2.gz GMNICPZNLCFYDB-YLJYHZDGSA-N 1 0 339.435 3.334 20 10 EGCDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C1=CC(=O)CS1 ZINC000769338471 1303095564 /nfs/dbraw/zinc/09/55/64/1303095564.db2.gz SBYOBPKMHAVMAN-UHFFFAOYSA-N 1 0 338.860 3.311 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c1O ZINC000769427430 1303110592 /nfs/dbraw/zinc/11/05/92/1303110592.db2.gz KCTUJNGZFYNNGA-UHFFFAOYSA-N 1 0 348.393 3.391 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000769423770 1303110912 /nfs/dbraw/zinc/11/09/12/1303110912.db2.gz IINHTSFVVFRLPY-GOEBONIOSA-N 1 0 334.460 3.436 20 10 EGCDRO C[C@@H]1COCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769457113 1303116939 /nfs/dbraw/zinc/11/69/39/1303116939.db2.gz QVQAWOSFPGWOQB-HNNXBMFYSA-N 1 0 333.432 3.053 20 10 EGCDRO O=[N+]([O-])c1cc(CN2CCOC3(CCC3)C2)ccc1N1CCCCC1 ZINC000769481482 1303121945 /nfs/dbraw/zinc/12/19/45/1303121945.db2.gz BCQBHYUTWYOVCT-UHFFFAOYSA-N 1 0 345.443 3.340 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769710781 1303163399 /nfs/dbraw/zinc/16/33/99/1303163399.db2.gz PIFOMEHGLLURDX-GDBMZVCRSA-N 1 0 333.432 3.242 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(O)c1 ZINC000770667306 1303303293 /nfs/dbraw/zinc/30/32/93/1303303293.db2.gz OPNWSVPILLWUKP-HXUWFJFHSA-N 1 0 325.408 3.422 20 10 EGCDRO C[C@@H]1CC([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@@H](C)C1 ZINC000886324733 1303434077 /nfs/dbraw/zinc/43/40/77/1303434077.db2.gz FEABBKKQEXANCY-HOTGVXAUSA-N 1 0 343.515 3.303 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC000771927145 1303462364 /nfs/dbraw/zinc/46/23/64/1303462364.db2.gz HCFZQNSNCORYRS-UHFFFAOYSA-N 1 0 326.440 3.109 20 10 EGCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000771938527 1303464846 /nfs/dbraw/zinc/46/48/46/1303464846.db2.gz NSEYSZFYVDGCSP-QGZVFWFLSA-N 1 0 338.451 3.407 20 10 EGCDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ccc(N(C)C)cc1 ZINC000773147404 1303632929 /nfs/dbraw/zinc/63/29/29/1303632929.db2.gz GNUHFPMTJCXJKO-MRXNPFEDSA-N 1 0 346.519 3.377 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000774482006 1303815309 /nfs/dbraw/zinc/81/53/09/1303815309.db2.gz DIZNYISVKKEKGV-STQMWFEESA-N 1 0 346.862 3.479 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccnc1Cl ZINC000774485211 1303816884 /nfs/dbraw/zinc/81/68/84/1303816884.db2.gz SKGLHNCJBPIEBN-CHWSQXEVSA-N 1 0 346.862 3.479 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]2OC)c1O ZINC000774832150 1303865083 /nfs/dbraw/zinc/86/50/83/1303865083.db2.gz JMTFUZOWBOHXHU-GXFFZTMASA-N 1 0 344.249 3.068 20 10 EGCDRO COc1c(O)c(C[NH2+]Cc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000774952446 1303883017 /nfs/dbraw/zinc/88/30/17/1303883017.db2.gz TYJSCIRSBQDYNB-UHFFFAOYSA-N 1 0 328.777 3.314 20 10 EGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775140698 1303915316 /nfs/dbraw/zinc/91/53/16/1303915316.db2.gz QGTWWLRZQBDKFF-QGZVFWFLSA-N 1 0 333.476 3.371 20 10 EGCDRO C[C@H](NC(=O)c1sccc1C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000775411541 1303960769 /nfs/dbraw/zinc/96/07/69/1303960769.db2.gz PQQYVZMVUBGBIU-ZDUSSCGKSA-N 1 0 331.485 3.367 20 10 EGCDRO Cc1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc[nH+]1 ZINC000775466203 1303968259 /nfs/dbraw/zinc/96/82/59/1303968259.db2.gz TUZIDVAANFEENQ-UHFFFAOYSA-N 1 0 333.382 3.494 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489922 1303972955 /nfs/dbraw/zinc/97/29/55/1303972955.db2.gz UEIGXBUUIWJTCU-BXUZGUMPSA-N 1 0 347.286 3.196 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000775553094 1303983272 /nfs/dbraw/zinc/98/32/72/1303983272.db2.gz KZZWVRXZTRCHQH-UHFFFAOYSA-N 1 0 343.354 3.242 20 10 EGCDRO CCOc1ccc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC000775644268 1304001735 /nfs/dbraw/zinc/00/17/35/1304001735.db2.gz CXAFPMLSILBDCU-UHFFFAOYSA-N 1 0 340.467 3.417 20 10 EGCDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000775709964 1304019628 /nfs/dbraw/zinc/01/96/28/1304019628.db2.gz VEFFTUJRRXNBHM-MAUKXSAKSA-N 1 0 331.504 3.173 20 10 EGCDRO Cc1cccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000775740217 1304025270 /nfs/dbraw/zinc/02/52/70/1304025270.db2.gz SWPFMEPDMBUZJP-GJZGRUSLSA-N 1 0 334.460 3.436 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000775830653 1304045237 /nfs/dbraw/zinc/04/52/37/1304045237.db2.gz MFTYHGSVADRSTD-GJZGRUSLSA-N 1 0 329.488 3.193 20 10 EGCDRO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775831360 1304045383 /nfs/dbraw/zinc/04/53/83/1304045383.db2.gz QYSVNNGHCUNSGJ-QGZVFWFLSA-N 1 0 339.483 3.370 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775833441 1304046830 /nfs/dbraw/zinc/04/68/30/1304046830.db2.gz IXWRGMQPWJKNIL-WMLDXEAASA-N 1 0 348.874 3.497 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccc(N(C)C)cc1 ZINC000775835748 1304048000 /nfs/dbraw/zinc/04/80/00/1304048000.db2.gz IXUVGOCNFGCLEQ-WMLDXEAASA-N 1 0 334.485 3.042 20 10 EGCDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000776103907 1304096951 /nfs/dbraw/zinc/09/69/51/1304096951.db2.gz ZZOHNMYBLAELSG-IAGOWNOFSA-N 1 0 346.519 3.377 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000776175767 1304107167 /nfs/dbraw/zinc/10/71/67/1304107167.db2.gz QLLAHAVENUBIJZ-WMLDXEAASA-N 1 0 338.879 3.026 20 10 EGCDRO C[C@H](CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000776179312 1304107443 /nfs/dbraw/zinc/10/74/43/1304107443.db2.gz IMUWCLNWJGMLDT-SJORKVTESA-N 1 0 346.519 3.377 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000776309681 1304131876 /nfs/dbraw/zinc/13/18/76/1304131876.db2.gz NJARYUVDSFXJBB-GJZGRUSLSA-N 1 0 338.879 3.396 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000776777727 1304198719 /nfs/dbraw/zinc/19/87/19/1304198719.db2.gz RHGVFPPPHKTPEE-INIZCTEOSA-N 1 0 328.460 3.291 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)ccc1N1CCCCC1 ZINC000778217401 1304421268 /nfs/dbraw/zinc/42/12/68/1304421268.db2.gz ZWMGMYFOEUYENB-DLBZAZTESA-N 1 0 347.459 3.226 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000779051982 1304522874 /nfs/dbraw/zinc/52/28/74/1304522874.db2.gz JSZBTNZBGSFCQD-UHFFFAOYSA-N 1 0 337.778 3.288 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C2COC(C)(C)OC2)c1O ZINC000779051668 1304522968 /nfs/dbraw/zinc/52/29/68/1304522968.db2.gz XPIISFKVLMAABB-SNVBAGLBSA-N 1 0 344.249 3.265 20 10 EGCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000779165819 1304538026 /nfs/dbraw/zinc/53/80/26/1304538026.db2.gz OGTTYDAQSGQJSD-GOSISDBHSA-N 1 0 347.459 3.320 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1O ZINC000779985378 1304628695 /nfs/dbraw/zinc/62/86/95/1304628695.db2.gz COTPYSZUYWDOMD-QWRGUYRKSA-N 1 0 344.249 3.068 20 10 EGCDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000780495827 1304700084 /nfs/dbraw/zinc/70/00/84/1304700084.db2.gz RLCIFDYGNGOMSA-MRXNPFEDSA-N 1 0 340.345 3.484 20 10 EGCDRO COC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CCC1 ZINC000780745873 1304733331 /nfs/dbraw/zinc/73/33/31/1304733331.db2.gz KMMIECREDFMKIZ-CQSZACIVSA-N 1 0 338.879 3.396 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H](F)c2ccccc2)[NH+](C)C)cc1 ZINC000891247120 1304999474 /nfs/dbraw/zinc/99/94/74/1304999474.db2.gz FFDWUJKNICDFIW-RBUKOAKNSA-N 1 0 343.446 3.182 20 10 EGCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccsc1 ZINC000891254133 1305001933 /nfs/dbraw/zinc/00/19/33/1305001933.db2.gz VWHHXTKZXHTCQF-KSSFIOAISA-N 1 0 345.512 3.337 20 10 EGCDRO Cn1ncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1C1CC1 ZINC000891468694 1305058461 /nfs/dbraw/zinc/05/84/61/1305058461.db2.gz VUDATBRYRUOZQC-SFHVURJKSA-N 1 0 341.455 3.184 20 10 EGCDRO COc1ccc(C[NH+](C)C)cc1NCc1ccc(OC)c(OC)c1O ZINC000892339662 1305324424 /nfs/dbraw/zinc/32/44/24/1305324424.db2.gz IENWPORJGZKROI-UHFFFAOYSA-N 1 0 346.427 3.092 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785540472 1305372875 /nfs/dbraw/zinc/37/28/75/1305372875.db2.gz JXRUGXSNELNRQV-IETSOEAISA-N 1 0 325.836 3.230 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000785988362 1305487222 /nfs/dbraw/zinc/48/72/22/1305487222.db2.gz MBQFWRZYZJNZMC-FOIQADDNSA-N 1 0 328.456 3.490 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)N(C)C)c(O)c1OC ZINC000892740685 1305532736 /nfs/dbraw/zinc/53/27/36/1305532736.db2.gz PMWJMSYXTNEXAB-QGZVFWFLSA-N 1 0 344.455 3.110 20 10 EGCDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893132166 1305725615 /nfs/dbraw/zinc/72/56/15/1305725615.db2.gz LROXUKAAAPRXDO-HNNXBMFYSA-N 1 0 329.396 3.195 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)c(O)c1OC ZINC000893267666 1305794565 /nfs/dbraw/zinc/79/45/65/1305794565.db2.gz VQNAXXLLGJQJOC-XJKSGUPXSA-N 1 0 331.412 3.011 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(O)c1OC ZINC000893531589 1305953710 /nfs/dbraw/zinc/95/37/10/1305953710.db2.gz MFVYESAUKMNCBF-INIZCTEOSA-N 1 0 347.386 3.202 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1 ZINC000788634219 1305987365 /nfs/dbraw/zinc/98/73/65/1305987365.db2.gz XUWHOMSLKUFIJS-RDJZCZTQSA-N 1 0 330.472 3.451 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)c(O)c1OC ZINC000893621851 1305989781 /nfs/dbraw/zinc/98/97/81/1305989781.db2.gz CCIYAMQMXRHXAJ-UHFFFAOYSA-N 1 0 343.423 3.247 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c(O)c1 ZINC000788653913 1305990640 /nfs/dbraw/zinc/99/06/40/1305990640.db2.gz ZVSBUHFYMAZMGA-CQSZACIVSA-N 1 0 348.468 3.231 20 10 EGCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c(O)c1OC ZINC000894074698 1306203987 /nfs/dbraw/zinc/20/39/87/1306203987.db2.gz WTMIUDXRQUXOLO-LJQANCHMSA-N 1 0 345.439 3.259 20 10 EGCDRO C/C=C(/CC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000789816362 1306219682 /nfs/dbraw/zinc/21/96/82/1306219682.db2.gz LPVDEZWAGUSCQN-LELDJUSMSA-N 1 0 336.863 3.483 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1OC ZINC000894173554 1306261937 /nfs/dbraw/zinc/26/19/37/1306261937.db2.gz KHCQJAGTDJGXQB-UHFFFAOYSA-N 1 0 331.412 3.406 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000894363871 1306361253 /nfs/dbraw/zinc/36/12/53/1306361253.db2.gz HEUCFECDVPOUSU-ZLOXQWCVSA-N 1 0 333.453 3.297 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000791138227 1308926482 /nfs/dbraw/zinc/92/64/82/1308926482.db2.gz GDIIFYPNXMIBGG-AWEZNQCLSA-N 1 0 334.460 3.233 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1O ZINC000894550822 1308950655 /nfs/dbraw/zinc/95/06/55/1308950655.db2.gz NMFFOTTVYRJPII-IIBYNOLFSA-N 1 0 343.467 3.429 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c(O)c1OC ZINC000894807786 1309081701 /nfs/dbraw/zinc/08/17/01/1309081701.db2.gz IDQDBJXFAKWYDF-SFHVURJKSA-N 1 0 337.460 3.076 20 10 EGCDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000895308007 1309277847 /nfs/dbraw/zinc/27/78/47/1309277847.db2.gz WPHNUUPALTZHMO-GOSISDBHSA-N 1 0 326.396 3.226 20 10 EGCDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000793231386 1309324655 /nfs/dbraw/zinc/32/46/55/1309324655.db2.gz CNLFFHVKKZTMIF-QGZVFWFLSA-N 1 0 343.423 3.248 20 10 EGCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000793250116 1309330556 /nfs/dbraw/zinc/33/05/56/1309330556.db2.gz KOOMRIUUTTWONZ-LJQANCHMSA-N 1 0 347.459 3.322 20 10 EGCDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1 ZINC000895657865 1309450129 /nfs/dbraw/zinc/45/01/29/1309450129.db2.gz GANZSJZKRLCLOE-HXUWFJFHSA-N 1 0 340.467 3.125 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1O ZINC000895705426 1309476381 /nfs/dbraw/zinc/47/63/81/1309476381.db2.gz ACGFFCJHHJDWDE-GOSISDBHSA-N 1 0 337.423 3.437 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C(C)(C)C ZINC000895814797 1309531241 /nfs/dbraw/zinc/53/12/41/1309531241.db2.gz UTSOYNNGPIDIOM-HNNXBMFYSA-N 1 0 331.504 3.160 20 10 EGCDRO Cc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)c(C)c1 ZINC000794660579 1309567192 /nfs/dbraw/zinc/56/71/92/1309567192.db2.gz GQFGKCKVLAGGLJ-MGPUTAFESA-N 1 0 339.435 3.424 20 10 EGCDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(Br)cc1O ZINC000794834361 1309605249 /nfs/dbraw/zinc/60/52/49/1309605249.db2.gz NAQNTHKSEKKLTJ-GFCCVEGCSA-N 1 0 325.250 3.067 20 10 EGCDRO OC[C@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796340377 1309971260 /nfs/dbraw/zinc/97/12/60/1309971260.db2.gz MBGJMJKDHHCFFH-NRFANRHFSA-N 1 0 336.479 3.500 20 10 EGCDRO Cn1ccc(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000796356001 1309977483 /nfs/dbraw/zinc/97/74/83/1309977483.db2.gz JGFSSAHXOQGEAC-UHFFFAOYSA-N 1 0 346.478 3.315 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cnn2ccccc12 ZINC000796480878 1310011261 /nfs/dbraw/zinc/01/12/61/1310011261.db2.gz OAUBQDZODXYBPB-UHFFFAOYSA-N 1 0 332.201 3.092 20 10 EGCDRO CCC[C@@]1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOC1 ZINC000796489746 1310012595 /nfs/dbraw/zinc/01/25/95/1310012595.db2.gz CBUREYSPMKFBIA-OAHLLOKOSA-N 1 0 344.249 3.212 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1 ZINC000797134513 1310145875 /nfs/dbraw/zinc/14/58/75/1310145875.db2.gz SVSKRFIMYWPBSH-JCQPUDPBSA-N 1 0 333.453 3.130 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000797518995 1310206829 /nfs/dbraw/zinc/20/68/29/1310206829.db2.gz QNWWRWRWVIZLLC-LLVKDONJSA-N 1 0 332.356 3.168 20 10 EGCDRO CC(=O)c1ccc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000897524878 1310363372 /nfs/dbraw/zinc/36/33/72/1310363372.db2.gz FXPIFIHZWZEFGE-GOSISDBHSA-N 1 0 326.444 3.065 20 10 EGCDRO CN(C)CC1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000798502041 1310373401 /nfs/dbraw/zinc/37/34/01/1310373401.db2.gz LIEUEVNGCHQXIM-UHFFFAOYSA-N 1 0 346.475 3.159 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CO)CC2CCCC2)c1O ZINC000798960636 1310465438 /nfs/dbraw/zinc/46/54/38/1310465438.db2.gz LVVOWSNBMGVXRR-CYBMUJFWSA-N 1 0 327.852 3.333 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)Cc3cccnc3)CC2)cc1 ZINC000897969125 1310532483 /nfs/dbraw/zinc/53/24/83/1310532483.db2.gz FJYFZNIBIRQBFW-MRXNPFEDSA-N 1 0 325.456 3.280 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000800315657 1310732706 /nfs/dbraw/zinc/73/27/06/1310732706.db2.gz ZUVNHTZMOJPGBR-LJQANCHMSA-N 1 0 334.419 3.393 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000800315656 1310732810 /nfs/dbraw/zinc/73/28/10/1310732810.db2.gz ZUVNHTZMOJPGBR-IBGZPJMESA-N 1 0 334.419 3.393 20 10 EGCDRO Cc1ncc([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000898448136 1310739450 /nfs/dbraw/zinc/73/94/50/1310739450.db2.gz PWVNXUSRYWEIMW-JLTOFOAXSA-N 1 0 341.503 3.113 20 10 EGCDRO CCc1nc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000898450335 1310742419 /nfs/dbraw/zinc/74/24/19/1310742419.db2.gz AREGYLAZHPOVCV-KRWDZBQOSA-N 1 0 332.517 3.164 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnc3ccccc3n2)N(C)C)cc1 ZINC000898451551 1310742429 /nfs/dbraw/zinc/74/24/29/1310742429.db2.gz ZMAPJQKGFNCZGJ-OAQYLSRUSA-N 1 0 349.482 3.088 20 10 EGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000800476885 1310766060 /nfs/dbraw/zinc/76/60/60/1310766060.db2.gz RCXFOODATUCBRK-JXFKEZNVSA-N 1 0 332.488 3.459 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000800527849 1310778388 /nfs/dbraw/zinc/77/83/88/1310778388.db2.gz DHMJDXOGFRNLAR-UHFFFAOYSA-N 1 0 338.451 3.428 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCO3)CC2)ccc1N1CCCCC1 ZINC000800538125 1310779762 /nfs/dbraw/zinc/77/97/62/1310779762.db2.gz KJLIDVYYWCLQBY-UHFFFAOYSA-N 1 0 345.443 3.340 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)cc1F ZINC000801519987 1310952788 /nfs/dbraw/zinc/95/27/88/1310952788.db2.gz ANIOIYRPCVMVJU-QGZVFWFLSA-N 1 0 348.462 3.448 20 10 EGCDRO CCCC[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC000801596798 1310971784 /nfs/dbraw/zinc/97/17/84/1310971784.db2.gz PGQLLVMWNHXGCK-IRXDYDNUSA-N 1 0 332.488 3.499 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]Cc2ccnc(C)c2)c1O ZINC000824597886 1320268755 /nfs/dbraw/zinc/26/87/55/1320268755.db2.gz YXGHNRSBLXUEPZ-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCc2nnc3n2CCCCC3)cc1Cl ZINC000825095882 1320309090 /nfs/dbraw/zinc/30/90/90/1320309090.db2.gz AJYKAXBYNODXEF-UHFFFAOYSA-N 1 0 334.851 3.004 20 10 EGCDRO OCCOCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCC1 ZINC000827210905 1320434100 /nfs/dbraw/zinc/43/41/00/1320434100.db2.gz SXYUOCASBWCVFX-UHFFFAOYSA-N 1 0 341.451 3.423 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000837306405 1320595439 /nfs/dbraw/zinc/59/54/39/1320595439.db2.gz JITQNXZFADOEAP-MSOLQXFVSA-N 1 0 337.467 3.084 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000802193143 1316986439 /nfs/dbraw/zinc/98/64/39/1316986439.db2.gz NXFNXGBOHMGALI-DOTOQJQBSA-N 1 0 333.476 3.187 20 10 EGCDRO CC(C)C[NH+]1CCC(NCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858095410 1328680974 /nfs/dbraw/zinc/68/09/74/1328680974.db2.gz SWPWEZCQETYRDW-UHFFFAOYSA-N 1 0 325.447 3.241 20 10 EGCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1C ZINC000858121110 1328688105 /nfs/dbraw/zinc/68/81/05/1328688105.db2.gz VTNFMWQJTCOMEG-UHFFFAOYSA-N 1 0 328.412 3.033 20 10 EGCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CCC(C)C)C1 ZINC000957442886 1317364229 /nfs/dbraw/zinc/36/42/29/1317364229.db2.gz KVPJABRWLDHKTB-UHFFFAOYSA-N 1 0 345.447 3.041 20 10 EGCDRO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858141055 1328693657 /nfs/dbraw/zinc/69/36/57/1328693657.db2.gz IXUCKOKTRPEIQH-SECBINFHSA-N 1 0 339.233 3.480 20 10 EGCDRO C[C@@H](CCO)C1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCC1 ZINC000858156405 1328697945 /nfs/dbraw/zinc/69/79/45/1328697945.db2.gz VRDWBJNUVPXEIZ-ZDUSSCGKSA-N 1 0 326.431 3.309 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3cccs3)C2)cc1C ZINC001019940502 1317467968 /nfs/dbraw/zinc/46/79/68/1317467968.db2.gz KKTMZEXAWZWWNW-WKILWMFISA-N 1 0 344.480 3.045 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1F ZINC000858165812 1328701666 /nfs/dbraw/zinc/70/16/66/1328701666.db2.gz OGTMNZWIGPMHRN-OXJNMPFZSA-N 1 0 346.421 3.287 20 10 EGCDRO COCC1(CC[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000858168937 1328701791 /nfs/dbraw/zinc/70/17/91/1328701791.db2.gz JANSGBNLNZPRDN-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3C=CCC3)C2)cc1C ZINC001019978168 1317484258 /nfs/dbraw/zinc/48/42/58/1317484258.db2.gz JDFMCIVJUUXKGV-KBAYOESNSA-N 1 0 328.456 3.097 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(Cl)o3)C2)cc1C ZINC001019990614 1317491064 /nfs/dbraw/zinc/49/10/64/1317491064.db2.gz VQQHPDKHGKGCSI-HDJSIYSDSA-N 1 0 348.830 3.301 20 10 EGCDRO CSCC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)N(C)C ZINC000806662709 1317517659 /nfs/dbraw/zinc/51/76/59/1317517659.db2.gz OTWJPJDYCITJBI-GUYCJALGSA-N 1 0 346.496 3.406 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CC(C)(C)C3)C2)cc1C ZINC001020123450 1317551286 /nfs/dbraw/zinc/55/12/86/1317551286.db2.gz WDEXFEHTABOKDM-QAQDUYKDSA-N 1 0 330.472 3.177 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)cc1C(C)C ZINC000902578644 1317595895 /nfs/dbraw/zinc/59/58/95/1317595895.db2.gz URQQCXNDVBJFBE-LJQANCHMSA-N 1 0 329.444 3.131 20 10 EGCDRO CCc1cc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000902626522 1317600518 /nfs/dbraw/zinc/60/05/18/1317600518.db2.gz ZESNUTAMMLTFPL-ZWKOTPCHSA-N 1 0 333.472 3.242 20 10 EGCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000808218322 1317646544 /nfs/dbraw/zinc/64/65/44/1317646544.db2.gz ODTDGQKSOBZNFZ-MRXNPFEDSA-N 1 0 326.440 3.284 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(Br)cc1O ZINC000903440067 1317700138 /nfs/dbraw/zinc/70/01/38/1317700138.db2.gz KWWQKQYLPKUSGX-IGGJQXEISA-N 1 0 348.240 3.464 20 10 EGCDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000903447916 1317701521 /nfs/dbraw/zinc/70/15/21/1317701521.db2.gz GAIABDULRQEORU-OXQOHEQNSA-N 1 0 343.519 3.484 20 10 EGCDRO CN(C)c1ccc([C@@H](CN[C@H]2CCCc3scnc32)[NH+](C)C)cc1 ZINC000903448404 1317701943 /nfs/dbraw/zinc/70/19/43/1317701943.db2.gz OOMZQJQDBQPSQT-DLBZAZTESA-N 1 0 344.528 3.479 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c1O ZINC000808692052 1317717375 /nfs/dbraw/zinc/71/73/75/1317717375.db2.gz SLMXMPGZDUYRSX-CYBMUJFWSA-N 1 0 326.868 3.115 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000808710700 1317719886 /nfs/dbraw/zinc/71/98/86/1317719886.db2.gz VPUQBZVQDZLBIX-DXCKQFNASA-N 1 0 325.836 3.343 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1O ZINC000808715878 1317720432 /nfs/dbraw/zinc/72/04/32/1317720432.db2.gz YHKRRSOTQBBGQT-GFCCVEGCSA-N 1 0 344.842 3.491 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000809664414 1317859461 /nfs/dbraw/zinc/85/94/61/1317859461.db2.gz FJGYIVJMXOSBPI-GFCCVEGCSA-N 1 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EGCDRO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816516850 1319173607 /nfs/dbraw/zinc/17/36/07/1319173607.db2.gz TWIXVBFRKQQKFH-AWEZNQCLSA-N 1 0 344.858 3.117 20 10 EGCDRO CN(C)C(=O)C1(C[NH2+]Cc2ccc3ccccc3c2O)CCCC1 ZINC000816549247 1319180251 /nfs/dbraw/zinc/18/02/51/1319180251.db2.gz ITJQZMPJLXTERJ-UHFFFAOYSA-N 1 0 326.440 3.284 20 10 EGCDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938761 1319467200 /nfs/dbraw/zinc/46/72/00/1319467200.db2.gz RPDBQDFNZXIEQK-RTBURBONSA-N 1 0 325.456 3.038 20 10 EGCDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940246 1319468420 /nfs/dbraw/zinc/46/84/20/1319468420.db2.gz DZHGGQVNZOMXFW-ZWKOTPCHSA-N 1 0 343.446 3.177 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(O)c1C ZINC000817939976 1319468510 /nfs/dbraw/zinc/46/85/10/1319468510.db2.gz DOOWOVMHZDCFKK-KXBFYZLASA-N 1 0 327.472 3.426 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2c1c(F)ccc2O ZINC000817939601 1319468809 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EGCDRO C[NH2+]CCCN(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000818014712 1319491535 /nfs/dbraw/zinc/49/15/35/1319491535.db2.gz LAWKWWQEFAPWJG-UHFFFAOYSA-N 1 0 333.863 3.429 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C(OC)OC)ccc2F)c1 ZINC000818186223 1319513066 /nfs/dbraw/zinc/51/30/66/1319513066.db2.gz DOKMXHJSYRKHJT-UHFFFAOYSA-N 1 0 335.375 3.121 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)C2)cc1 ZINC000818342362 1319530614 /nfs/dbraw/zinc/53/06/14/1319530614.db2.gz POKJUWKBLLDAFX-NMLACTOBSA-N 1 0 344.499 3.315 20 10 EGCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000818980379 1319601644 /nfs/dbraw/zinc/60/16/44/1319601644.db2.gz JGXGUVIYMHGKNA-HXUWFJFHSA-N 1 0 334.504 3.333 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1F ZINC000818985349 1319606011 /nfs/dbraw/zinc/60/60/11/1319606011.db2.gz RVWVYXIEMRTXTJ-INIZCTEOSA-N 1 0 336.838 3.238 20 10 EGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)c1ccc(F)cc1F ZINC000819062704 1319625225 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C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917073887 1319748669 /nfs/dbraw/zinc/74/86/69/1319748669.db2.gz GWJVCIBTTHSNNE-IAGOWNOFSA-N 1 0 343.515 3.222 20 10 EGCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000917089662 1319755073 /nfs/dbraw/zinc/75/50/73/1319755073.db2.gz CGIHSCZBNCHJFO-CYBMUJFWSA-N 1 0 329.271 3.401 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCOC2)ccc1N1CCCCC1 ZINC000917396117 1319801380 /nfs/dbraw/zinc/80/13/80/1319801380.db2.gz HDYZCBNECLDQDR-MRXNPFEDSA-N 1 0 333.432 3.101 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000918023181 1319907554 /nfs/dbraw/zinc/90/75/54/1319907554.db2.gz RATIULNOYWUSKM-FQEVSTJZSA-N 1 0 343.515 3.366 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000822093696 1320053719 /nfs/dbraw/zinc/05/37/19/1320053719.db2.gz FUGNJQSVDHQYDE-HXUWFJFHSA-N 1 0 337.467 3.206 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000822494028 1320088861 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CC[NH+](CC)C[C@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000824870453 1320293146 /nfs/dbraw/zinc/29/31/46/1320293146.db2.gz RQTPRPFBBSGGPH-CYBMUJFWSA-N 1 0 341.293 3.318 20 10 EGCDRO COC(=O)C[N@H+](Cc1ccc(Br)cc1O)C1CCCC1 ZINC000824877363 1320293443 /nfs/dbraw/zinc/29/34/43/1320293443.db2.gz NWESADAPHXYANK-UHFFFAOYSA-N 1 0 342.233 3.072 20 10 EGCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]1n1cccn1 ZINC000825117827 1320312187 /nfs/dbraw/zinc/31/21/87/1320312187.db2.gz LKWJHYDZCBRFBP-QXAKKESOSA-N 1 0 341.455 3.105 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000825188336 1320317097 /nfs/dbraw/zinc/31/70/97/1320317097.db2.gz JHOXCAGDYOYMPD-GDBMZVCRSA-N 1 0 329.419 3.090 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000825358771 1320331578 /nfs/dbraw/zinc/33/15/78/1320331578.db2.gz VIYXCSVBGXMXND-UHFFFAOYSA-N 1 0 334.213 3.475 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000825344912 1320331665 /nfs/dbraw/zinc/33/16/65/1320331665.db2.gz ZJOPMJAORKXBDQ-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO OCCCC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825483652 1320342215 /nfs/dbraw/zinc/34/22/15/1320342215.db2.gz BIRPDEQDDNMGQW-UHFFFAOYSA-N 1 0 328.250 3.139 20 10 EGCDRO Cc1cc(N2CCC([NH2+]Cc3cc(Cl)c(C)cc3O)CC2)n[nH]1 ZINC000825634379 1320351703 /nfs/dbraw/zinc/35/17/03/1320351703.db2.gz MBHJNWCNNRBLOU-UHFFFAOYSA-N 1 0 334.851 3.144 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1Cl ZINC000825803524 1320363230 /nfs/dbraw/zinc/36/32/30/1320363230.db2.gz AHHGWQFOLKIDMD-GUYCJALGSA-N 1 0 339.863 3.011 20 10 EGCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(Br)cc1O ZINC000825928060 1320372406 /nfs/dbraw/zinc/37/24/06/1320372406.db2.gz LQHVJDYJUIUCHB-UHFFFAOYSA-N 1 0 338.249 3.182 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CN2CCC(C)CC2)c1O ZINC000827352828 1320446926 /nfs/dbraw/zinc/44/69/26/1320446926.db2.gz QXDATRZQSWQTBH-CYBMUJFWSA-N 1 0 326.868 3.264 20 10 EGCDRO c1ccc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000930571384 1328901037 /nfs/dbraw/zinc/90/10/37/1328901037.db2.gz VTVHRGOJLBOFQZ-LJQANCHMSA-N 1 0 337.467 3.298 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839146832 1320880744 /nfs/dbraw/zinc/88/07/44/1320880744.db2.gz WTXPDBYTOUZFJI-UHFFFAOYSA-N 1 0 332.394 3.400 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000839191186 1320891269 /nfs/dbraw/zinc/89/12/69/1320891269.db2.gz FRCKULZKLFVEGU-JKSUJKDBSA-N 1 0 339.863 3.427 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1O ZINC000839648400 1320950250 /nfs/dbraw/zinc/95/02/50/1320950250.db2.gz CHVFSLMDPNIOFG-UHFFFAOYSA-N 1 0 347.430 3.011 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1 ZINC000839666553 1320956811 /nfs/dbraw/zinc/95/68/11/1320956811.db2.gz OOTGNEPHPUCDRA-IBGZPJMESA-N 1 0 329.488 3.120 20 10 EGCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1)C(N)=O ZINC000840106248 1321029810 /nfs/dbraw/zinc/02/98/10/1321029810.db2.gz BLFLYGDBXOGKOC-HNNXBMFYSA-N 1 0 344.499 3.385 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(OCCOC(C)C)CC2)c1O ZINC000840144901 1321038655 /nfs/dbraw/zinc/03/86/55/1321038655.db2.gz KJRSFHTWVIYFSY-UHFFFAOYSA-N 1 0 337.460 3.115 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC(C)(C)[C@@H]4COC[C@@H]43)c2c1 ZINC000840154389 1321040171 /nfs/dbraw/zinc/04/01/71/1321040171.db2.gz OJXHZDBMELIWHF-MSOLQXFVSA-N 1 0 327.424 3.411 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000840809779 1321154167 /nfs/dbraw/zinc/15/41/67/1321154167.db2.gz UTLWMZMFANJWDB-JSGCOSHPSA-N 1 0 335.831 3.481 20 10 EGCDRO C[C@@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1cc(F)ccc1O ZINC000840865004 1321165014 /nfs/dbraw/zinc/16/50/14/1321165014.db2.gz SLSBQRUXLKQPQP-DOMZBBRYSA-N 1 0 332.375 3.303 20 10 EGCDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000840882811 1321169708 /nfs/dbraw/zinc/16/97/08/1321169708.db2.gz CCQNEECYPFDIRQ-CABCVRRESA-N 1 0 336.451 3.271 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000840895546 1321171775 /nfs/dbraw/zinc/17/17/75/1321171775.db2.gz ZTEPIRDMWYMYHR-MRXNPFEDSA-N 1 0 332.488 3.267 20 10 EGCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000840890398 1321171779 /nfs/dbraw/zinc/17/17/79/1321171779.db2.gz MHMBZBJTKFPANE-HUUCEWRRSA-N 1 0 335.467 3.380 20 10 EGCDRO CC1CCN(c2ccc(C[NH2+]Cc3cnc(N(C)C)n3C)cc2)CC1 ZINC000840897446 1321172686 /nfs/dbraw/zinc/17/26/86/1321172686.db2.gz QOHSBWVKTQYROK-UHFFFAOYSA-N 1 0 341.503 3.012 20 10 EGCDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)OCC1CC1 ZINC000840960639 1321187332 /nfs/dbraw/zinc/18/73/32/1321187332.db2.gz RBNAKETWGXEMCG-UHFFFAOYSA-N 1 0 328.250 3.450 20 10 EGCDRO COc1ccc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)cc1C ZINC000840962315 1321188257 /nfs/dbraw/zinc/18/82/57/1321188257.db2.gz OZBNHKJUBXCNCF-KRWDZBQOSA-N 1 0 328.412 3.214 20 10 EGCDRO Oc1c(Br)cccc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841076322 1321214608 /nfs/dbraw/zinc/21/46/08/1321214608.db2.gz DSFNNLLBIZWUTR-UHFFFAOYSA-N 1 0 349.228 3.249 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)c(C(F)(F)F)c1 ZINC000841105323 1321218715 /nfs/dbraw/zinc/21/87/15/1321218715.db2.gz JMRKATBOOJSPON-MRXNPFEDSA-N 1 0 327.394 3.099 20 10 EGCDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(N)cc2)cc1 ZINC000841301832 1321250657 /nfs/dbraw/zinc/25/06/57/1321250657.db2.gz FGGCDKPVHNBSRJ-UHFFFAOYSA-N 1 0 326.444 3.432 20 10 EGCDRO CC[C@@H](CNC(=O)Nc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000841302530 1321250721 /nfs/dbraw/zinc/25/07/21/1321250721.db2.gz YVLIJCITWPPGLN-IBGZPJMESA-N 1 0 338.455 3.227 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841744618 1321305381 /nfs/dbraw/zinc/30/53/81/1321305381.db2.gz JIPMZCMCSZWEEE-CYBMUJFWSA-N 1 0 332.831 3.355 20 10 EGCDRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841792266 1321312911 /nfs/dbraw/zinc/31/29/11/1321312911.db2.gz BUHINAHQLSQDLR-QGZVFWFLSA-N 1 0 346.519 3.240 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000841826273 1321319852 /nfs/dbraw/zinc/31/98/52/1321319852.db2.gz GEDCOYKLDTWHRS-UHFFFAOYSA-N 1 0 346.519 3.112 20 10 EGCDRO CC(C)[NH2+]CCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841934558 1321330897 /nfs/dbraw/zinc/33/08/97/1321330897.db2.gz ZYGUCRCAOVVZGC-UHFFFAOYSA-N 1 0 345.443 3.085 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000841952961 1321331931 /nfs/dbraw/zinc/33/19/31/1321331931.db2.gz JRQINOIFLBUYDL-NVXWUHKLSA-N 1 0 333.476 3.221 20 10 EGCDRO CCCC[C@H](C[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000841958847 1321332546 /nfs/dbraw/zinc/33/25/46/1321332546.db2.gz KWFOHHCVJPQMIF-QGZVFWFLSA-N 1 0 334.508 3.190 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1 ZINC000842634686 1321410157 /nfs/dbraw/zinc/41/01/57/1321410157.db2.gz IAAYHLJUIUSMDI-SFHVURJKSA-N 1 0 338.451 3.147 20 10 EGCDRO COCCn1c(C)c(C)c2cc(-c3nc([C@H]4CCC[NH2+]4)no3)ccc21 ZINC000842644151 1321412364 /nfs/dbraw/zinc/41/23/64/1321412364.db2.gz QSZSVCWXLHYBRS-MRXNPFEDSA-N 1 0 340.427 3.379 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1F ZINC000842720381 1321423900 /nfs/dbraw/zinc/42/39/00/1321423900.db2.gz GTINIAIWYLNRLS-MRXNPFEDSA-N 1 0 335.467 3.161 20 10 EGCDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843045906 1321461388 /nfs/dbraw/zinc/46/13/88/1321461388.db2.gz LSGRQRFJMJHFCU-RDJZCZTQSA-N 1 0 346.475 3.287 20 10 EGCDRO CCc1ccc([C@@H]2C[NH2+]CCN2Cc2cc(OC)ccc2O)cc1 ZINC000843116157 1321472496 /nfs/dbraw/zinc/47/24/96/1321472496.db2.gz HSPBZHKMOHNOMP-IBGZPJMESA-N 1 0 326.440 3.110 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc2c(c1)CCC2 ZINC000843349503 1321503648 /nfs/dbraw/zinc/50/36/48/1321503648.db2.gz BMKGTFGCVUEKDU-UHFFFAOYSA-N 1 0 335.451 3.025 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NC1CCCCCCC1 ZINC000843350518 1321503936 /nfs/dbraw/zinc/50/39/36/1321503936.db2.gz UFGBILXOLJTDLS-UHFFFAOYSA-N 1 0 329.488 3.127 20 10 EGCDRO [NH3+][C@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(Cl)c1 ZINC000843489343 1321522219 /nfs/dbraw/zinc/52/22/19/1321522219.db2.gz CMNIISYWWPDDIL-SFHVURJKSA-N 1 0 344.842 3.241 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000843486620 1321522304 /nfs/dbraw/zinc/52/23/04/1321522304.db2.gz XJVPQXVTIKZJBA-VQTJNVASSA-N 1 0 343.515 3.125 20 10 EGCDRO CN1CCCc2cc(CNC(=O)[C@H]([NH3+])c3cccc(Cl)c3)ccc21 ZINC000844177298 1321575762 /nfs/dbraw/zinc/57/57/62/1321575762.db2.gz HKCGFNJEGPHMDH-GOSISDBHSA-N 1 0 343.858 3.039 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1 ZINC000844427044 1321606274 /nfs/dbraw/zinc/60/62/74/1321606274.db2.gz MHADRCMJYQKTJK-VQTJNVASSA-N 1 0 338.451 3.141 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000844899120 1321656592 /nfs/dbraw/zinc/65/65/92/1321656592.db2.gz SWAKQSJNFVRYTK-UHFFFAOYSA-N 1 0 346.519 3.160 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H]1c1ccccc1 ZINC000846069806 1321766700 /nfs/dbraw/zinc/76/67/00/1321766700.db2.gz NAATVPKZSBNAIF-ZWKOTPCHSA-N 1 0 325.408 3.089 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c1O ZINC000846139634 1321770821 /nfs/dbraw/zinc/77/08/21/1321770821.db2.gz PNYLLPZEANDFHZ-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1O ZINC000846157331 1321772414 /nfs/dbraw/zinc/77/24/14/1321772414.db2.gz KHCZLLVAQOXPED-MXZCIGPVSA-N 1 0 325.499 3.431 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1O ZINC000846156046 1321772456 /nfs/dbraw/zinc/77/24/56/1321772456.db2.gz RTLPBAXXUHGCMS-ZQIUZPCESA-N 1 0 340.423 3.245 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccnc2OCC(F)F)c1O ZINC000846157611 1321772775 /nfs/dbraw/zinc/77/27/75/1321772775.db2.gz MXHYEQQVLLAEGZ-LLVKDONJSA-N 1 0 338.354 3.291 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)c1O ZINC000846165903 1321773388 /nfs/dbraw/zinc/77/33/88/1321773388.db2.gz PGWHVQYHBPVIJF-LBPRGKRZSA-N 1 0 346.393 3.326 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c1O ZINC000846172654 1321773570 /nfs/dbraw/zinc/77/35/70/1321773570.db2.gz ZYRCSDKJDZKFBZ-HNNXBMFYSA-N 1 0 342.439 3.088 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000846169535 1321773833 /nfs/dbraw/zinc/77/38/33/1321773833.db2.gz DYESGONAUOSOAD-OCCSQVGLSA-N 1 0 335.831 3.481 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2cn3c(cccc3C)n2)c1O ZINC000846172347 1321774091 /nfs/dbraw/zinc/77/40/91/1321774091.db2.gz KVADLVVMTXIZCO-AWEZNQCLSA-N 1 0 325.412 3.250 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CC3(Br)CC3)CC2)cc1 ZINC000846777556 1321807692 /nfs/dbraw/zinc/80/76/92/1321807692.db2.gz LNGUYZVMQHAYPI-UHFFFAOYSA-N 1 0 339.277 3.135 20 10 EGCDRO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848527127 1321969262 /nfs/dbraw/zinc/96/92/62/1321969262.db2.gz SLKUBLKEXZCVDE-GDBMZVCRSA-N 1 0 326.444 3.033 20 10 EGCDRO CCc1cccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000848881188 1322026900 /nfs/dbraw/zinc/02/69/00/1322026900.db2.gz LWRLRYMKALNZKA-UHFFFAOYSA-N 1 0 331.847 3.325 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000848881848 1322028566 /nfs/dbraw/zinc/02/85/66/1322028566.db2.gz TYOCQSLOJYJWEF-UHFFFAOYSA-N 1 0 338.451 3.303 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c1O ZINC000848893358 1322032562 /nfs/dbraw/zinc/03/25/62/1322032562.db2.gz VASXVUWMFICXII-GOSISDBHSA-N 1 0 344.455 3.019 20 10 EGCDRO CCc1cccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)c1O ZINC000848899579 1322036973 /nfs/dbraw/zinc/03/69/73/1322036973.db2.gz QAKWYSZLGBECNB-IBGZPJMESA-N 1 0 338.451 3.235 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c1O ZINC000848919531 1322045447 /nfs/dbraw/zinc/04/54/47/1322045447.db2.gz MRHIQTYXZXKFRF-AWEZNQCLSA-N 1 0 339.439 3.335 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccc(OC)nc2)c(O)c(C(C)(C)C)c1 ZINC000850023608 1322183474 /nfs/dbraw/zinc/18/34/74/1322183474.db2.gz VULDSYUCBRYBKZ-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO COc1cc(C[NH2+]C[C@@H](C)Cn2cccn2)c(O)c(C(C)(C)C)c1 ZINC000850042396 1322187780 /nfs/dbraw/zinc/18/77/80/1322187780.db2.gz YAYVYGPBRZSLJS-CQSZACIVSA-N 1 0 331.460 3.321 20 10 EGCDRO CNC(=O)C1CCC([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850093567 1322192385 /nfs/dbraw/zinc/19/23/85/1322192385.db2.gz FFQCOTMXCVNYEC-UHFFFAOYSA-N 1 0 348.487 3.093 20 10 EGCDRO COc1cc(C[NH2+]CC(=O)NC2CCCCC2)c(O)c(C(C)(C)C)c1 ZINC000850132749 1322197046 /nfs/dbraw/zinc/19/70/46/1322197046.db2.gz WVAMEHQAPYUELP-UHFFFAOYSA-N 1 0 348.487 3.237 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850186186 1322204320 /nfs/dbraw/zinc/20/43/20/1322204320.db2.gz OPAIILJQWJLHDN-SCLBCKFNSA-N 1 0 332.488 3.271 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850235083 1322212579 /nfs/dbraw/zinc/21/25/79/1322212579.db2.gz QXFSNRRRGDRMRG-YWZLYKJASA-N 1 0 349.471 3.126 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(OC)c1 ZINC000850362969 1322234365 /nfs/dbraw/zinc/23/43/65/1322234365.db2.gz XFZIIGRJNVEYJF-GOSISDBHSA-N 1 0 332.419 3.378 20 10 EGCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000850380129 1322235523 /nfs/dbraw/zinc/23/55/23/1322235523.db2.gz OCRSVNQCNIXTAY-UHFFFAOYSA-N 1 0 336.233 3.055 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)CC2CC2)c(C(F)(F)F)c1 ZINC000850389265 1322237441 /nfs/dbraw/zinc/23/74/41/1322237441.db2.gz UZVITYWQJCQHCX-CYBMUJFWSA-N 1 0 330.394 3.270 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850494601 1322257427 /nfs/dbraw/zinc/25/74/27/1322257427.db2.gz QVPUQTLRULEKHO-NVXWUHKLSA-N 1 0 349.494 3.186 20 10 EGCDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000850551964 1322264593 /nfs/dbraw/zinc/26/45/93/1322264593.db2.gz ZKSVBEDTZFVAPS-INIZCTEOSA-N 1 0 333.476 3.416 20 10 EGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568376 1322269086 /nfs/dbraw/zinc/26/90/86/1322269086.db2.gz WOEQSXPXIHFUEB-INIZCTEOSA-N 1 0 325.456 3.202 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(O)c1 ZINC000850566401 1322269670 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Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CCCC[NH+](C)C ZINC001184066646 1387386256 /nfs/dbraw/zinc/38/62/56/1387386256.db2.gz TZLZJWAUWMHEDF-IBGZPJMESA-N 1 0 332.488 3.481 20 10 EGCDRO CC(C)[NH2+][C@H]1CCCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001088431985 1359900112 /nfs/dbraw/zinc/90/01/12/1359900112.db2.gz KAONPEZFAPJOOP-INIZCTEOSA-N 1 0 345.447 3.232 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001323832644 1387468555 /nfs/dbraw/zinc/46/85/55/1387468555.db2.gz ZFDIVTGIIHNWQJ-SWLSCSKDSA-N 1 0 329.444 3.343 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)CC(C)C)C2)cc1C ZINC001186660964 1387995434 /nfs/dbraw/zinc/99/54/34/1387995434.db2.gz YGGKTQAKWGKCGF-SJLPKXTDSA-N 1 0 332.488 3.376 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC001201401227 1369536669 /nfs/dbraw/zinc/53/66/69/1369536669.db2.gz CNFQTYMRLSDVJK-UHFFFAOYSA-N 1 0 332.488 3.414 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]2C1 ZINC001203555719 1370168812 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CCN(CC)c1ccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c(OC)c1 ZINC001138390396 1377714234 /nfs/dbraw/zinc/71/42/34/1377714234.db2.gz VLVWNSGBUXSTFP-QFBILLFUSA-N 1 0 331.504 3.067 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(OC)c1 ZINC001138389788 1377714258 /nfs/dbraw/zinc/71/42/58/1377714258.db2.gz LOWSFOGTYSDEDT-SEXKYXSUSA-N 1 0 330.472 3.151 20 10 EGCDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138675942 1377766793 /nfs/dbraw/zinc/76/67/93/1377766793.db2.gz RBGMGHSLPINUFX-CYBMUJFWSA-N 1 0 339.277 3.270 20 10 EGCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139669673 1377930704 /nfs/dbraw/zinc/93/07/04/1377930704.db2.gz GREVXPOVTZOYPZ-GOSISDBHSA-N 1 0 331.504 3.141 20 10 EGCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139670867 1377930947 /nfs/dbraw/zinc/93/09/47/1377930947.db2.gz BQTUILVVSKESGJ-UXHICEINSA-N 1 0 332.488 3.079 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)ccc1N(C)C ZINC001139672042 1377931007 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COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140182015 1378027013 /nfs/dbraw/zinc/02/70/13/1378027013.db2.gz FQOZOIFNOAJUBG-UHFFFAOYSA-N 1 0 325.408 3.354 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c1O ZINC001140184593 1378028108 /nfs/dbraw/zinc/02/81/08/1378028108.db2.gz AWISXZCXQKIQPZ-UHFFFAOYSA-N 1 0 330.472 3.232 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC001140342030 1378050353 /nfs/dbraw/zinc/05/03/53/1378050353.db2.gz PBOOLPXMCOIIPE-RISCZKNCSA-N 1 0 338.835 3.097 20 10 EGCDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464327 1378066954 /nfs/dbraw/zinc/06/69/54/1378066954.db2.gz LMSFLEANLBNZTG-AWEZNQCLSA-N 1 0 334.803 3.103 20 10 EGCDRO Cc1cccc(N2CCC[N@H+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001140465391 1378068254 /nfs/dbraw/zinc/06/82/54/1378068254.db2.gz LKGDSORTZAAKBQ-UHFFFAOYSA-N 1 0 331.847 3.461 20 10 EGCDRO Oc1cc(Cl)ccc1CN1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC001140467498 1378069077 /nfs/dbraw/zinc/06/90/77/1378069077.db2.gz RSEIAYIMGBZGEE-UHFFFAOYSA-N 1 0 343.858 3.149 20 10 EGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1C ZINC001140468496 1378069120 /nfs/dbraw/zinc/06/91/20/1378069120.db2.gz NBDCPIPMEMLXSB-CHWSQXEVSA-N 1 0 325.836 3.457 20 10 EGCDRO [O-]c1cc(F)cc(F)c1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001140585596 1378090473 /nfs/dbraw/zinc/09/04/73/1378090473.db2.gz PCJGOGSCXZAACT-BEFAXECRSA-N 1 0 344.405 3.377 20 10 EGCDRO CC(C)=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2O)C1=O ZINC001273284956 1378094727 /nfs/dbraw/zinc/09/47/27/1378094727.db2.gz LNTGPZMVCDFKBG-LJQANCHMSA-N 1 0 332.419 3.064 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c1 ZINC001140617330 1378098513 /nfs/dbraw/zinc/09/85/13/1378098513.db2.gz NMGVEWUCZAQDLY-MRXNPFEDSA-N 1 0 332.444 3.190 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c1 ZINC001140620990 1378099378 /nfs/dbraw/zinc/09/93/78/1378099378.db2.gz KHCSYVJQFFBDRA-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC001140619758 1378099787 /nfs/dbraw/zinc/09/97/87/1378099787.db2.gz NGZNZIFBQAFPAX-GDBMZVCRSA-N 1 0 332.444 3.142 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001140661809 1378108866 /nfs/dbraw/zinc/10/88/66/1378108866.db2.gz TWPWGPCKXRFTOZ-HXUWFJFHSA-N 1 0 341.430 3.394 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC001140747641 1378129119 /nfs/dbraw/zinc/12/91/19/1378129119.db2.gz HETKUXBJOKSBPM-HNNXBMFYSA-N 1 0 326.440 3.113 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1O ZINC001140749578 1378129242 /nfs/dbraw/zinc/12/92/42/1378129242.db2.gz FNTQCPWQRQLDMR-PKOBYXMFSA-N 1 0 338.451 3.113 20 10 EGCDRO Cc1cccc(C)c1N1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749585 1378129738 /nfs/dbraw/zinc/12/97/38/1378129738.db2.gz FSFAXISFLXXCGA-UHFFFAOYSA-N 1 0 326.440 3.345 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C(=O)OC)CC[C@H]2C)c(O)c1 ZINC001140856023 1378159636 /nfs/dbraw/zinc/15/96/36/1378159636.db2.gz PELWZHPZWDGKEM-ZBFHGGJFSA-N 1 0 334.460 3.012 20 10 EGCDRO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140925019 1378181690 /nfs/dbraw/zinc/18/16/90/1378181690.db2.gz YERZQVNEOUGVAY-LJQANCHMSA-N 1 0 349.906 3.383 20 10 EGCDRO c1c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141074518 1378232482 /nfs/dbraw/zinc/23/24/82/1378232482.db2.gz KQKXXKBGLYAASE-PMACEKPBSA-N 1 0 326.484 3.386 20 10 EGCDRO OCC[C@@H]1CC12CC[NH+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141075292 1378232554 /nfs/dbraw/zinc/23/25/54/1378232554.db2.gz LVQALWKCNBXQLL-HXUWFJFHSA-N 1 0 340.511 3.370 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CCOC[C@H]3C3CCCCC3)ccc21 ZINC001141146095 1378248741 /nfs/dbraw/zinc/24/87/41/1378248741.db2.gz KJMJZDIYHGEDNW-IBGZPJMESA-N 1 0 330.472 3.296 20 10 EGCDRO CN1CCOc2cc(C[NH+]3CCC(Cc4ccncc4)CC3)ccc21 ZINC001141144734 1378248868 /nfs/dbraw/zinc/24/88/68/1378248868.db2.gz JSNJPDZIRUMCCX-UHFFFAOYSA-N 1 0 337.467 3.365 20 10 EGCDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141162074 1378255135 /nfs/dbraw/zinc/25/51/35/1378255135.db2.gz LBECEJZQNVSOLT-AWEZNQCLSA-N 1 0 329.396 3.052 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCN(Cc3ccncc3)CC2)c1O ZINC001143110265 1378542455 /nfs/dbraw/zinc/54/24/55/1378542455.db2.gz APLLCZZRVBLSRW-UHFFFAOYSA-N 1 0 339.483 3.403 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@H](n2cncn2)C1 ZINC001327608978 1388567242 /nfs/dbraw/zinc/56/72/42/1388567242.db2.gz XRLOTRSIZXVNQF-MZMPZRCHSA-N 1 0 331.439 3.003 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@H](n2cncn2)C1 ZINC001327608980 1388567275 /nfs/dbraw/zinc/56/72/75/1388567275.db2.gz XRLOTRSIZXVNQF-RPVQJOFSSA-N 1 0 331.439 3.003 20 10 EGCDRO Cc1cc(NCc2ccc(N3CCN(C)CC3)c(F)c2)nn1C(C)C ZINC001327610111 1388567574 /nfs/dbraw/zinc/56/75/74/1388567574.db2.gz FCMSJZWRKHGBRQ-UHFFFAOYSA-N 1 0 345.466 3.275 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc3ccccc3n2)cc1C ZINC001148764284 1379264063 /nfs/dbraw/zinc/26/40/63/1379264063.db2.gz RONFAPHZXRQCKY-UHFFFAOYSA-N 1 0 349.434 3.071 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001327815852 1388599366 /nfs/dbraw/zinc/59/93/66/1388599366.db2.gz MEMNUIPORNNVRW-DOMZBBRYSA-N 1 0 326.234 3.156 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001157435827 1380891616 /nfs/dbraw/zinc/89/16/16/1380891616.db2.gz WYPXQRQMVCBVKA-MAUKXSAKSA-N 1 0 330.472 3.266 20 10 EGCDRO Nc1ccc(OCCOc2ccc(NC3=CCC[NH2+]CC3)cc2)cc1 ZINC001159783961 1381899183 /nfs/dbraw/zinc/89/91/83/1381899183.db2.gz OVMJQGYRPWMQTH-UHFFFAOYSA-N 1 0 339.439 3.406 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C ZINC001162352042 1382737706 /nfs/dbraw/zinc/73/77/06/1382737706.db2.gz KYCHCMULHNZEKI-IAGOWNOFSA-N 1 0 332.488 3.282 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C4CCC4)nn3)cc2)CC1 ZINC001167426956 1383631017 /nfs/dbraw/zinc/63/10/17/1383631017.db2.gz QCGMZARKOXGZJJ-UHFFFAOYSA-N 1 0 337.471 3.108 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1C(=O)OC(C)(C)C ZINC001168812661 1384015370 /nfs/dbraw/zinc/01/53/70/1384015370.db2.gz RUWDOTOVSFKLLL-XJKSGUPXSA-N 1 0 332.444 3.109 20 10 EGCDRO CCOC(=O)C1(C)CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001171957009 1384695368 /nfs/dbraw/zinc/69/53/68/1384695368.db2.gz XXJQBLRKGZHUEE-UHFFFAOYSA-N 1 0 347.455 3.358 20 10 EGCDRO CCN1CC[C@@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1=O ZINC001172045194 1384713341 /nfs/dbraw/zinc/71/33/41/1384713341.db2.gz ZWGSDSCASSUWFL-AUUYWEPGSA-N 1 0 330.472 3.233 20 10 EGCDRO CC[N@H+](Cc1ccccc1O)C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172897399 1384873615 /nfs/dbraw/zinc/87/36/15/1384873615.db2.gz RREZAJRXFLPDBJ-UHFFFAOYSA-N 1 0 348.487 3.020 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173037228 1384898713 /nfs/dbraw/zinc/89/87/13/1384898713.db2.gz GLOIXYFIQUASFG-UHFFFAOYSA-N 1 0 344.499 3.352 20 10 EGCDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001173624004 1384990655 /nfs/dbraw/zinc/99/06/55/1384990655.db2.gz WVRPTIUNFHMTJI-ROUUACIJSA-N 1 0 330.472 3.498 20 10 EGCDRO COC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001173714948 1385007637 /nfs/dbraw/zinc/00/76/37/1385007637.db2.gz LLWHANQEXYETLC-CQSZACIVSA-N 1 0 325.408 3.129 20 10 EGCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Br)C1CCOCC1 ZINC001329139507 1388987237 /nfs/dbraw/zinc/98/72/37/1388987237.db2.gz GBNNQZLCNOCIMO-CQSZACIVSA-N 1 0 328.250 3.450 20 10 EGCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@@H]2C)cc1C ZINC001177820089 1386056121 /nfs/dbraw/zinc/05/61/21/1386056121.db2.gz SSZUCMNWFFJSQJ-MAUKXSAKSA-N 1 0 332.488 3.426 20 10 EGCDRO C[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001319951111 1386412887 /nfs/dbraw/zinc/41/28/87/1386412887.db2.gz YLTPDTQWRKQVSP-LJQANCHMSA-N 1 0 347.459 3.180 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC001336319328 1389067780 /nfs/dbraw/zinc/06/77/80/1389067780.db2.gz MQUQRTSPXJNVFG-XJKSGUPXSA-N 1 0 342.414 3.408 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CCOCC2)c2c1c(F)ccc2O ZINC001339286142 1389974898 /nfs/dbraw/zinc/97/48/98/1389974898.db2.gz HZPLEBDTPWABRM-XPKDYRNWSA-N 1 0 337.435 3.094 20 10 EGCDRO C[C@@H](NC(=O)[C@H]1CCCCN1Cc1cccnc1)c1ccccc1O ZINC001332486918 1390127623 /nfs/dbraw/zinc/12/76/23/1390127623.db2.gz CWYMTFVGMKKDQR-CRAIPNDOSA-N 1 0 339.439 3.019 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCC3CCC3)C2)cc1C ZINC001752620424 1440196734 /nfs/dbraw/zinc/19/67/34/1440196734.db2.gz NCSYKKDSJYUVIT-IYARVYRRSA-N 1 0 330.472 3.321 20 10 EGCDRO CCCc1occc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001752912621 1440245997 /nfs/dbraw/zinc/24/59/97/1440245997.db2.gz CTTMHKYFNWOOEG-OAHLLOKOSA-N 1 0 344.455 3.457 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)CC2CC2)C2CC2)cc1C ZINC001753512564 1440426388 /nfs/dbraw/zinc/42/63/88/1440426388.db2.gz XEXFPPKOMKLWNU-HXUWFJFHSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC23CC3)cc1C ZINC001754139148 1440544161 /nfs/dbraw/zinc/54/41/61/1440544161.db2.gz WYPGVDUETLQQEU-WHLIDYPQSA-N 1 0 342.483 3.346 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1 ZINC000835074943 1126111444 /nfs/dbraw/zinc/11/14/44/1126111444.db2.gz VMCUDIIJPQHQCQ-GOSISDBHSA-N 1 0 329.440 3.101 20 10 EGCDRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921750219 1126133972 /nfs/dbraw/zinc/13/39/72/1126133972.db2.gz OZQUQDSVXJYHCX-GOSISDBHSA-N 1 0 336.435 3.186 20 10 EGCDRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297546602 202125705 /nfs/dbraw/zinc/12/57/05/202125705.db2.gz FIJADKVLXIRRQK-HKUYNNGSSA-N 1 0 327.424 3.490 20 10 EGCDRO C[NH+](C)Cc1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000071907638 203146201 /nfs/dbraw/zinc/14/62/01/203146201.db2.gz CQWUPKRVWDUVHG-UHFFFAOYSA-N 1 0 335.498 3.117 20 10 EGCDRO Cc1nccn1CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275337287 456272672 /nfs/dbraw/zinc/27/26/72/456272672.db2.gz NZZCVVPJIWWAGC-LLVKDONJSA-N 1 0 338.249 3.319 20 10 EGCDRO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H]1CCOC1 ZINC000183114799 455232397 /nfs/dbraw/zinc/23/23/97/455232397.db2.gz JIVZXRUVDPJMGR-QGZVFWFLSA-N 1 0 327.424 3.440 20 10 EGCDRO Cc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCCC2)cc1 ZINC000237917141 455233838 /nfs/dbraw/zinc/23/38/38/455233838.db2.gz LLZYPSATOVVRLE-FQEVSTJZSA-N 1 0 337.467 3.073 20 10 EGCDRO COc1cccc(CN2CCO[C@H](c3ccc(F)cc3F)C2)c1O ZINC000190131211 455281634 /nfs/dbraw/zinc/28/16/34/455281634.db2.gz LCUAKYKFGZZSOE-KRWDZBQOSA-N 1 0 335.350 3.253 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000015571678 453577436 /nfs/dbraw/zinc/57/74/36/453577436.db2.gz PCQXFZMYVCUNQF-UHFFFAOYSA-N 1 0 341.411 3.063 20 10 EGCDRO CCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077164883 454069090 /nfs/dbraw/zinc/06/90/90/454069090.db2.gz JLBDJFCURLTNRX-VHSSKADRSA-N 1 0 333.428 3.146 20 10 EGCDRO COCc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000160169797 455434452 /nfs/dbraw/zinc/43/44/52/455434452.db2.gz VQEAAINHYHYKKP-INIZCTEOSA-N 1 0 331.412 3.313 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000092056161 454511040 /nfs/dbraw/zinc/51/10/40/454511040.db2.gz ZPUHNTJJNPYKMO-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000134269976 454522047 /nfs/dbraw/zinc/52/20/47/454522047.db2.gz BGRPCMVBQPMBEQ-BLLLJJGKSA-N 1 0 336.863 3.172 20 10 EGCDRO Oc1ccccc1C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122364205 454526094 /nfs/dbraw/zinc/52/60/94/454526094.db2.gz AGFAVOOHIIOMNQ-UHFFFAOYSA-N 1 0 334.213 3.379 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(OC)c(O)c3)CC2)cc1 ZINC000092380710 454559032 /nfs/dbraw/zinc/55/90/32/454559032.db2.gz MNANERGNWQZQPG-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO O=C(/C=C/c1cncc(F)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000105369482 454637315 /nfs/dbraw/zinc/63/73/15/454637315.db2.gz KJAFVITXDUQAGJ-LKGOPFMKSA-N 1 0 337.398 3.245 20 10 EGCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000066145137 454661427 /nfs/dbraw/zinc/66/14/27/454661427.db2.gz ONJLHBBYKKLEAN-UVTDQMKNSA-N 1 0 334.510 3.476 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000093712248 454730477 /nfs/dbraw/zinc/73/04/77/454730477.db2.gz DOPPBWGSWXKKEK-QHCPKHFHSA-N 1 0 333.453 3.160 20 10 EGCDRO COc1cccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000093889629 454744654 /nfs/dbraw/zinc/74/46/54/454744654.db2.gz VHDACGZBHQZVCV-JCQPUDPBSA-N 1 0 333.453 3.331 20 10 EGCDRO C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109769533 454835147 /nfs/dbraw/zinc/83/51/47/454835147.db2.gz QKZYWSIVJULJKG-JKSUJKDBSA-N 1 0 326.440 3.132 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c(O)c1 ZINC000184979829 455480777 /nfs/dbraw/zinc/48/07/77/455480777.db2.gz FFHCRGXNWGLHFT-CQSZACIVSA-N 1 0 328.412 3.249 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000164517356 454884483 /nfs/dbraw/zinc/88/44/83/454884483.db2.gz KAPVPBQICOONPH-ZBFHGGJFSA-N 1 0 333.476 3.413 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000150769047 454889605 /nfs/dbraw/zinc/88/96/05/454889605.db2.gz JGRUQECIGVZMAB-KRWDZBQOSA-N 1 0 347.503 3.292 20 10 EGCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000126413072 454892404 /nfs/dbraw/zinc/89/24/04/454892404.db2.gz BOHXKGKDIXATPS-LJQANCHMSA-N 1 0 332.419 3.066 20 10 EGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000154559959 454907063 /nfs/dbraw/zinc/90/70/63/454907063.db2.gz FGHBWVYMRUHLTR-CQSZACIVSA-N 1 0 327.380 3.119 20 10 EGCDRO CC[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(N(C)C)cc1 ZINC000126632550 454907292 /nfs/dbraw/zinc/90/72/92/454907292.db2.gz UMXZQQJRJWWWJG-GOSISDBHSA-N 1 0 341.503 3.354 20 10 EGCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000179003552 454998405 /nfs/dbraw/zinc/99/84/05/454998405.db2.gz WTAPAAOQWYFSTE-KRWDZBQOSA-N 1 0 325.456 3.084 20 10 EGCDRO C[C@@H]([NH2+]CCc1nccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000127993976 455016344 /nfs/dbraw/zinc/01/63/44/455016344.db2.gz DSMLPAVPSZFZIW-CYBMUJFWSA-N 1 0 335.448 3.012 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000128943174 455092433 /nfs/dbraw/zinc/09/24/33/455092433.db2.gz RIUQICGZTPANSI-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)c2ccccc2)ccc1OC ZINC000172016157 455109095 /nfs/dbraw/zinc/10/90/95/455109095.db2.gz VNARXMNCONAIOZ-HXUWFJFHSA-N 1 0 329.440 3.229 20 10 EGCDRO CC[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1O ZINC000156524873 455128283 /nfs/dbraw/zinc/12/82/83/455128283.db2.gz BGQBLFOYZLDYAU-KRWDZBQOSA-N 1 0 330.403 3.392 20 10 EGCDRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180249728 455151757 /nfs/dbraw/zinc/15/17/57/455151757.db2.gz JHBGMGDREYTUDD-DOTOQJQBSA-N 1 0 336.451 3.272 20 10 EGCDRO COc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1O ZINC000237377718 455179360 /nfs/dbraw/zinc/17/93/60/455179360.db2.gz OSQFAIBWLDSQON-MRXNPFEDSA-N 1 0 330.428 3.311 20 10 EGCDRO CCCOc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c(O)c1 ZINC000190283255 455293162 /nfs/dbraw/zinc/29/31/62/455293162.db2.gz XINXXCJNXWLDQW-WMZOPIPTSA-N 1 0 347.480 3.450 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1=O)c1ccccc1O ZINC000183327629 455277695 /nfs/dbraw/zinc/27/76/95/455277695.db2.gz QFPIBBXLUYXEJB-HZPDHXFCSA-N 1 0 340.423 3.247 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1O ZINC000183386857 455285835 /nfs/dbraw/zinc/28/58/35/455285835.db2.gz ZMLJOFFNHUGVMZ-MRXNPFEDSA-N 1 0 326.440 3.075 20 10 EGCDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccc1O ZINC000183474487 455297650 /nfs/dbraw/zinc/29/76/50/455297650.db2.gz UXZLRWHMTGLYFS-APWZRJJASA-N 1 0 338.451 3.277 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccccc3O)CC2)nc(C)n1 ZINC000183545443 455304310 /nfs/dbraw/zinc/30/43/10/455304310.db2.gz IGSUBRGBRYIOFW-CQSZACIVSA-N 1 0 326.444 3.119 20 10 EGCDRO COCCC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183941390 455341936 /nfs/dbraw/zinc/34/19/36/455341936.db2.gz IVGPTHYLBWTSIG-OAHLLOKOSA-N 1 0 338.467 3.376 20 10 EGCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCCCC3)cc1)CC2 ZINC000160298735 455446531 /nfs/dbraw/zinc/44/65/31/455446531.db2.gz FXCHAZUMYRDHFR-MAUKXSAKSA-N 1 0 339.487 3.242 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000266886870 455468336 /nfs/dbraw/zinc/46/83/36/455468336.db2.gz XRIIGAITMIKDGL-MRXNPFEDSA-N 1 0 346.519 3.155 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c(O)c1 ZINC000184919350 455472300 /nfs/dbraw/zinc/47/23/00/455472300.db2.gz YUQNECJTRZELFE-PXNSSMCTSA-N 1 0 340.467 3.425 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000182323826 455488719 /nfs/dbraw/zinc/48/87/19/455488719.db2.gz AAUWARXJKQWTGW-KSSFIOAISA-N 1 0 340.423 3.165 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079960 455497493 /nfs/dbraw/zinc/49/74/93/455497493.db2.gz UBWTZEUJLGOBQD-FZKQIMNGSA-N 1 0 332.419 3.493 20 10 EGCDRO Cc1cc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000185120839 455505198 /nfs/dbraw/zinc/50/51/98/455505198.db2.gz PGWNVXSYHURZKQ-ZMYBRWDISA-N 1 0 341.430 3.043 20 10 EGCDRO Cc1cnn(-c2cc[nH+]cc2NCc2ccc(N3CCOCC3)cc2)c1 ZINC000182670335 455565056 /nfs/dbraw/zinc/56/50/56/455565056.db2.gz BCXMWEVSAAJYTJ-UHFFFAOYSA-N 1 0 349.438 3.024 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000192709350 455674950 /nfs/dbraw/zinc/67/49/50/455674950.db2.gz BHMDSCRYNRQYDN-AWEZNQCLSA-N 1 0 327.428 3.115 20 10 EGCDRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc2ccccc2c1O ZINC000186027867 455678679 /nfs/dbraw/zinc/67/86/79/455678679.db2.gz BISFYULSJCSZAD-ZDUSSCGKSA-N 1 0 335.469 3.409 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271557275 455683866 /nfs/dbraw/zinc/68/38/66/455683866.db2.gz NRQKNEZCYOOTCI-OAGGEKHMSA-N 1 0 336.451 3.128 20 10 EGCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000271583571 455691569 /nfs/dbraw/zinc/69/15/69/455691569.db2.gz VPWPGLZDQCZNJC-BFUOFWGJSA-N 1 0 331.412 3.275 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268774841 455712944 /nfs/dbraw/zinc/71/29/44/455712944.db2.gz AXIBICDCFZFLJT-QLFBSQMISA-N 1 0 346.450 3.024 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000268768451 455713234 /nfs/dbraw/zinc/71/32/34/455713234.db2.gz RNBAJDXJWFAMOV-QRWLVFNGSA-N 1 0 344.430 3.047 20 10 EGCDRO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(N2CCOCC2)cc1 ZINC000268826008 455715111 /nfs/dbraw/zinc/71/51/11/455715111.db2.gz UEEYMGJZRITZCM-AWEZNQCLSA-N 1 0 342.468 3.083 20 10 EGCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268871118 455717010 /nfs/dbraw/zinc/71/70/10/455717010.db2.gz GDYHBZPAHYFPCM-MRXNPFEDSA-N 1 0 329.488 3.373 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000186372881 455754315 /nfs/dbraw/zinc/75/43/15/455754315.db2.gz WDYWHXKHYMGNCP-ZDUSSCGKSA-N 1 0 349.452 3.045 20 10 EGCDRO CC[N@H+](Cc1cnn(C)c1C)Cc1cc(Br)ccc1O ZINC000269000369 455759190 /nfs/dbraw/zinc/75/91/90/455759190.db2.gz JPGZGXVYULAQRJ-UHFFFAOYSA-N 1 0 338.249 3.219 20 10 EGCDRO C[C@@H](CCO)C1(C[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000271844081 455783443 /nfs/dbraw/zinc/78/34/43/455783443.db2.gz RQVUCHARLOTOMF-LBPRGKRZSA-N 1 0 342.277 3.433 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1O ZINC000271797133 455764603 /nfs/dbraw/zinc/76/46/03/455764603.db2.gz IESXNVMZQRXPGY-HNNXBMFYSA-N 1 0 336.229 3.286 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccnn1C ZINC000278168250 455775441 /nfs/dbraw/zinc/77/54/41/455775441.db2.gz CDRKQGHIGDAOOL-QLFBSQMISA-N 1 0 346.450 3.024 20 10 EGCDRO CCN(C)C(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000272038524 455828745 /nfs/dbraw/zinc/82/87/45/455828745.db2.gz OHLBKZZEBKNXGC-MRXNPFEDSA-N 1 0 326.440 3.434 20 10 EGCDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294877230 455831220 /nfs/dbraw/zinc/83/12/20/455831220.db2.gz FHUWFIRCBIETQY-LEWJYISDSA-N 1 0 346.515 3.427 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000295070053 455837408 /nfs/dbraw/zinc/83/74/08/455837408.db2.gz WGTWQGRNWZNQQJ-LEWJYISDSA-N 1 0 344.499 3.349 20 10 EGCDRO COc1c(O)c(C[NH2+]C2(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000278478675 455837697 /nfs/dbraw/zinc/83/76/97/455837697.db2.gz IWAWDDGYRUYMQC-UHFFFAOYSA-N 1 0 332.331 3.227 20 10 EGCDRO C=Cn1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1 ZINC000278902590 455852870 /nfs/dbraw/zinc/85/28/70/455852870.db2.gz RJOHRVKCPVCQEM-HUUCEWRRSA-N 1 0 344.434 3.026 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1O ZINC000279271940 455861276 /nfs/dbraw/zinc/86/12/76/455861276.db2.gz NLEJLZGMUSKBSG-OLMNPRSZSA-N 1 0 333.403 3.171 20 10 EGCDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000279849212 455875957 /nfs/dbraw/zinc/87/59/57/455875957.db2.gz RQGHWPOIJOZJKR-UHFFFAOYSA-N 1 0 345.464 3.116 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)s1)c1ccccc1O ZINC000279928030 455877747 /nfs/dbraw/zinc/87/77/47/455877747.db2.gz ALYDJTJOTWJXEI-CQSZACIVSA-N 1 0 339.482 3.488 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccc(C)cc1O ZINC000280001557 455880781 /nfs/dbraw/zinc/88/07/81/455880781.db2.gz FYFJKVACDXAKDA-QGZVFWFLSA-N 1 0 328.460 3.442 20 10 EGCDRO COCCCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000285679925 455895509 /nfs/dbraw/zinc/89/55/09/455895509.db2.gz UTMZSFKJLPAZOM-UHFFFAOYSA-N 1 0 331.412 3.106 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000296294528 455902276 /nfs/dbraw/zinc/90/22/76/455902276.db2.gz FSWOVAVZOONPBL-HNNXBMFYSA-N 1 0 344.402 3.397 20 10 EGCDRO Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000286023316 455962392 /nfs/dbraw/zinc/96/23/92/455962392.db2.gz JVFVJYHXTRBYBI-OAHLLOKOSA-N 1 0 343.446 3.341 20 10 EGCDRO Cc1cccc(C[NH2+]CCCCn2cc(Br)cn2)c1O ZINC000280596042 456009296 /nfs/dbraw/zinc/00/92/96/456009296.db2.gz NQKDJESQVKDQGD-UHFFFAOYSA-N 1 0 338.249 3.230 20 10 EGCDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272621799 456017588 /nfs/dbraw/zinc/01/75/88/456017588.db2.gz LYQKTNIFSJZIFQ-QWHCGFSZSA-N 1 0 338.423 3.266 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1F ZINC000272738981 456056415 /nfs/dbraw/zinc/05/64/15/456056415.db2.gz IEDFFOZUHKSRCO-GAJHUEQPSA-N 1 0 334.460 3.101 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1O ZINC000287169109 456062546 /nfs/dbraw/zinc/06/25/46/456062546.db2.gz UNOZUDIKVWPLBG-KGLIPLIRSA-N 1 0 333.453 3.021 20 10 EGCDRO CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287598069 456073375 /nfs/dbraw/zinc/07/33/75/456073375.db2.gz IMOQRPVSJPPABS-QGZVFWFLSA-N 1 0 339.911 3.114 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(Cl)c1 ZINC000288546971 456099200 /nfs/dbraw/zinc/09/92/00/456099200.db2.gz LDXJVBGMAQNMHO-CQSZACIVSA-N 1 0 335.787 3.252 20 10 EGCDRO COc1cccc(C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)c1O ZINC000289466148 456125201 /nfs/dbraw/zinc/12/52/01/456125201.db2.gz OXJGZDBSOFMOPD-UHFFFAOYSA-N 1 0 349.740 3.096 20 10 EGCDRO COC[C@]1(C[NH2+][C@H](C)c2cc(C)ccc2O)OCCc2ccccc21 ZINC000289609898 456132772 /nfs/dbraw/zinc/13/27/72/456132772.db2.gz CZWZYWBUOBFISF-IERDGZPVSA-N 1 0 341.451 3.466 20 10 EGCDRO COc1cccc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c1O ZINC000273002167 456140959 /nfs/dbraw/zinc/14/09/59/456140959.db2.gz ZNAKUCZYAYWDGL-UHFFFAOYSA-N 1 0 328.412 3.148 20 10 EGCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000273018784 456147309 /nfs/dbraw/zinc/14/73/09/456147309.db2.gz DHLUUSCBASOPEH-VXGBXAGGSA-N 1 0 328.250 3.450 20 10 EGCDRO Oc1ccccc1C[N@H+](CC[C@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000289882682 456166615 /nfs/dbraw/zinc/16/66/15/456166615.db2.gz MDQGYJRFQOILHX-FPOVZHCZSA-N 1 0 341.451 3.497 20 10 EGCDRO C[C@]1([NH2+]Cc2cc(Br)ccc2O)CCO[C@@H]1C1CC1 ZINC000273082562 456171233 /nfs/dbraw/zinc/17/12/33/456171233.db2.gz JHBJFBPYMJEDOZ-CABCVRRESA-N 1 0 326.234 3.202 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000271229744 456184025 /nfs/dbraw/zinc/18/40/25/456184025.db2.gz TXYJOCOIEZAOMQ-CQSZACIVSA-N 1 0 329.400 3.041 20 10 EGCDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263688841 456192979 /nfs/dbraw/zinc/19/29/79/456192979.db2.gz OFXJGPIIPXJXJJ-GJZGRUSLSA-N 1 0 326.440 3.452 20 10 EGCDRO COC[C@@]1(C[NH2+][C@@H](C)c2ccccc2O)OCCc2ccccc21 ZINC000289980476 456204232 /nfs/dbraw/zinc/20/42/32/456204232.db2.gz XWFASEVMLPUDCV-MGPUTAFESA-N 1 0 327.424 3.157 20 10 EGCDRO CC[N@H+](Cc1ccc(C(=O)NCCc2ccc(N)cc2)cc1)C(C)C ZINC000236994824 456216195 /nfs/dbraw/zinc/21/61/95/456216195.db2.gz QUYYPZNKMDDEIK-UHFFFAOYSA-N 1 0 339.483 3.472 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273363778 456225011 /nfs/dbraw/zinc/22/50/11/456225011.db2.gz DPLCVRZCPHVLCB-HIFRSBDPSA-N 1 0 333.403 3.042 20 10 EGCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000273393791 456226792 /nfs/dbraw/zinc/22/67/92/456226792.db2.gz LKIBHMBCBZPCEE-HNNXBMFYSA-N 1 0 342.439 3.066 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c(O)c1C ZINC000273461038 456231956 /nfs/dbraw/zinc/23/19/56/456231956.db2.gz CSWDAIYNMQHHJM-QGZVFWFLSA-N 1 0 332.488 3.305 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1 ZINC000273497394 456234422 /nfs/dbraw/zinc/23/44/22/456234422.db2.gz PMADAZOXZGQLOK-NVXWUHKLSA-N 1 0 340.471 3.409 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H](OCC)[C@@]23CCCO3)ccc1OC ZINC000273535545 456237232 /nfs/dbraw/zinc/23/72/32/456237232.db2.gz ALENFDVUMVKLOE-HSALFYBXSA-N 1 0 349.471 3.048 20 10 EGCDRO C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273567943 456239121 /nfs/dbraw/zinc/23/91/21/456239121.db2.gz JZGBOTGOTLZLGV-ZDUSSCGKSA-N 1 0 333.432 3.358 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000290176920 456259842 /nfs/dbraw/zinc/25/98/42/456259842.db2.gz NKNAPHKVPZMAPM-HXUWFJFHSA-N 1 0 329.415 3.267 20 10 EGCDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cc(F)ccc2O)c1 ZINC000290213961 456267819 /nfs/dbraw/zinc/26/78/19/456267819.db2.gz QXEUPURTGOWABT-UHFFFAOYSA-N 1 0 345.418 3.424 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1C ZINC000275058908 456269271 /nfs/dbraw/zinc/26/92/71/456269271.db2.gz HIBLXOYCLMYKEU-UHFFFAOYSA-N 1 0 347.846 3.496 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)c1O ZINC000275372085 456274262 /nfs/dbraw/zinc/27/42/62/456274262.db2.gz VVXWCJYGBWMGSP-FDMGOTLNSA-N 1 0 348.306 3.271 20 10 EGCDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000290274180 456278461 /nfs/dbraw/zinc/27/84/61/456278461.db2.gz LTBYEUJMJVICJY-INIZCTEOSA-N 1 0 338.517 3.151 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297967679 456333973 /nfs/dbraw/zinc/33/39/73/456333973.db2.gz ZPMXKZANSIFOPC-OAHLLOKOSA-N 1 0 332.444 3.369 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000281928058 456365646 /nfs/dbraw/zinc/36/56/46/456365646.db2.gz KDGKFHIOSUSJTB-MRXNPFEDSA-N 1 0 343.446 3.434 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276186851 456407804 /nfs/dbraw/zinc/40/78/04/456407804.db2.gz LCTVIYBFCWLFAB-SFHVURJKSA-N 1 0 346.471 3.204 20 10 EGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CS1 ZINC000276826711 456592950 /nfs/dbraw/zinc/59/29/50/456592950.db2.gz BAXQBEDVZMHTQY-MAUKXSAKSA-N 1 0 338.492 3.282 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000349643976 457003775 /nfs/dbraw/zinc/00/37/75/457003775.db2.gz GXXZYUMSDMTHPA-WMLDXEAASA-N 1 0 342.487 3.015 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CC[C@H](O)c3ccccc3)CC2)cc1 ZINC000367998420 458003872 /nfs/dbraw/zinc/00/38/72/458003872.db2.gz QNMHLDKAXPRZMX-NRFANRHFSA-N 1 0 340.467 3.331 20 10 EGCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375742450 458045453 /nfs/dbraw/zinc/04/54/53/458045453.db2.gz LPGWFUYNOGKJLI-FYSMJZIKSA-N 1 0 342.508 3.106 20 10 EGCDRO COc1cccc(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)c1O ZINC000369037429 458073159 /nfs/dbraw/zinc/07/31/59/458073159.db2.gz XEWKVMGCJNVBBZ-QAPCUYQASA-N 1 0 326.440 3.326 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1nccn1-c1ccccc1 ZINC000377410226 458499201 /nfs/dbraw/zinc/49/92/01/458499201.db2.gz WQJFJCNBEUOEPZ-CYBMUJFWSA-N 1 0 337.379 3.157 20 10 EGCDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c(O)c1 ZINC000373465444 458500325 /nfs/dbraw/zinc/50/03/25/458500325.db2.gz LAKRJDYLBKMMNE-UHFFFAOYSA-N 1 0 327.359 3.220 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000471235256 458686763 /nfs/dbraw/zinc/68/67/63/458686763.db2.gz DQIRAVPAOOZZCL-FQEVSTJZSA-N 1 0 349.478 3.276 20 10 EGCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2c(C)c3ccccc3n2C)C[C@H]1C ZINC000472222351 458775632 /nfs/dbraw/zinc/77/56/32/458775632.db2.gz HWJGDGSIEDFYLG-HUUCEWRRSA-N 1 0 342.487 3.111 20 10 EGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)ccc21 ZINC000653162993 461530797 /nfs/dbraw/zinc/53/07/97/461530797.db2.gz ZUQWOXQOLLBIQH-GOSISDBHSA-N 1 0 345.487 3.008 20 10 EGCDRO c1nc2cc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)ccc2[nH]1 ZINC000727467239 574669209 /nfs/dbraw/zinc/66/92/09/574669209.db2.gz QWXFBUWPHCTDRE-UHFFFAOYSA-N 1 0 338.480 3.406 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(N2CCOCC2)cc1 ZINC000727469311 574670192 /nfs/dbraw/zinc/67/01/92/574670192.db2.gz WEZWKHJGMVZVKR-HNNXBMFYSA-N 1 0 336.439 3.250 20 10 EGCDRO CCC[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1O ZINC000727831219 574692860 /nfs/dbraw/zinc/69/28/60/574692860.db2.gz OTQZHDKUQZYDTE-UHFFFAOYSA-N 1 0 326.440 3.263 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000728981460 574791119 /nfs/dbraw/zinc/79/11/19/574791119.db2.gz ANWDEGTWURLTKW-ZDUSSCGKSA-N 1 0 346.427 3.327 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCC[NH+](C)C ZINC000729282411 574835246 /nfs/dbraw/zinc/83/52/46/574835246.db2.gz WFXFPUMNEZPEFN-UHFFFAOYSA-N 1 0 331.504 3.367 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1F ZINC000731345708 575067145 /nfs/dbraw/zinc/06/71/45/575067145.db2.gz GNKQWFZNBOLKJM-GOSISDBHSA-N 1 0 335.467 3.163 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000731878730 575215786 /nfs/dbraw/zinc/21/57/86/575215786.db2.gz GMPKCEDPDOXFKV-KRWDZBQOSA-N 1 0 325.456 3.084 20 10 EGCDRO Oc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000734843931 575559540 /nfs/dbraw/zinc/55/95/40/575559540.db2.gz SYLBDVIRCHMASA-HOCLYGCPSA-N 1 0 325.330 3.016 20 10 EGCDRO C[C@](CO)([NH2+]Cc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000734845587 575559667 /nfs/dbraw/zinc/55/96/67/575559667.db2.gz VWHAJUAELHHHFP-MRXNPFEDSA-N 1 0 325.330 3.408 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC[S@@](C)=O)cc1 ZINC000735085251 575601643 /nfs/dbraw/zinc/60/16/43/575601643.db2.gz NPVGRXIINGJCAA-HSZRJFAPSA-N 1 0 330.497 3.181 20 10 EGCDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=CC(=O)CS1 ZINC000743806604 576816141 /nfs/dbraw/zinc/81/61/41/576816141.db2.gz LZUSYJAWARSTMM-OAHLLOKOSA-N 1 0 330.453 3.048 20 10 EGCDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000743854181 576817077 /nfs/dbraw/zinc/81/70/77/576817077.db2.gz OEZHQYIJTYICLE-IMFGXOCKSA-N 1 0 343.515 3.364 20 10 EGCDRO CC[NH+](CC)CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745262614 576844587 /nfs/dbraw/zinc/84/45/87/576844587.db2.gz OAPBMNDABMWILF-UHFFFAOYSA-N 1 0 348.535 3.405 20 10 EGCDRO CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708087448 1298234536 /nfs/dbraw/zinc/23/45/36/1298234536.db2.gz BVBXUDKBLISCHT-JTQLQIEISA-N 1 0 347.684 3.240 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1COc2ccccc2C1 ZINC000691412740 1298134172 /nfs/dbraw/zinc/13/41/72/1298134172.db2.gz WQZHZEXASKUWPG-CQSZACIVSA-N 1 0 334.213 3.248 20 10 EGCDRO OCC1(C[NH2+]Cc2ccc(Br)cc2O)CCCCC1 ZINC000691490277 1298134428 /nfs/dbraw/zinc/13/44/28/1298134428.db2.gz VWPACXWMWMWFKY-UHFFFAOYSA-N 1 0 328.250 3.187 20 10 EGCDRO COC1CCN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000751148539 1299516574 /nfs/dbraw/zinc/51/65/74/1299516574.db2.gz WLQRZFHTGJLQSE-UHFFFAOYSA-N 1 0 340.467 3.260 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCC(=O)NC(C)(C)C)c(C(F)(F)F)c1 ZINC000792976057 1309274030 /nfs/dbraw/zinc/27/40/30/1309274030.db2.gz LRIKGVHBFABWGK-UHFFFAOYSA-N 1 0 345.409 3.166 20 10 EGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000006999419 1291055680 /nfs/dbraw/zinc/05/56/80/1291055680.db2.gz YNISMBAWYROXSE-HNNXBMFYSA-N 1 0 343.423 3.329 20 10 EGCDRO CCCC[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014261245 1291139863 /nfs/dbraw/zinc/13/98/63/1291139863.db2.gz ZMXOEGCPKHWMOE-MRXNPFEDSA-N 1 0 347.480 3.335 20 10 EGCDRO CNC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000030671777 1291352580 /nfs/dbraw/zinc/35/25/80/1291352580.db2.gz DQXSGJSIASVZBS-UHFFFAOYSA-N 1 0 337.467 3.326 20 10 EGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)CC1 ZINC000063824455 1292025782 /nfs/dbraw/zinc/02/57/82/1292025782.db2.gz XUCCNFSWWHQTCL-UVTDQMKNSA-N 1 0 336.457 3.121 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1Cl ZINC000827714695 1292359086 /nfs/dbraw/zinc/35/90/86/1292359086.db2.gz DZOHTTFADIHEMS-OAHLLOKOSA-N 1 0 327.758 3.455 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)c2ccc(F)cc2F)c1O ZINC000827714282 1292359383 /nfs/dbraw/zinc/35/93/83/1292359383.db2.gz AZMIAYFGBIOACZ-CQSZACIVSA-N 1 0 343.757 3.156 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000828461019 1292465650 /nfs/dbraw/zinc/46/56/50/1292465650.db2.gz HVZSNECLIZDXLI-RTBURBONSA-N 1 0 344.499 3.160 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@H](C(C)C)C3)cc2)CC1 ZINC000828738522 1292494391 /nfs/dbraw/zinc/49/43/91/1292494391.db2.gz RCDTVAJGBIXDDZ-FQEVSTJZSA-N 1 0 332.488 3.159 20 10 EGCDRO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829979542 1292650033 /nfs/dbraw/zinc/65/00/33/1292650033.db2.gz GPFVGVGEBZKNAO-LJQANCHMSA-N 1 0 332.488 3.223 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1O ZINC000830082625 1292661536 /nfs/dbraw/zinc/66/15/36/1292661536.db2.gz LEVPDDPBHGJKNP-LBPRGKRZSA-N 1 0 336.863 3.164 20 10 EGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(N)cc3)c2)CC1 ZINC000831491163 1292871923 /nfs/dbraw/zinc/87/19/23/1292871923.db2.gz VHNVLXDSTHAFNH-UHFFFAOYSA-N 1 0 338.455 3.052 20 10 EGCDRO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000093529990 1292922910 /nfs/dbraw/zinc/92/29/10/1292922910.db2.gz SFLBHTONDUUUAR-QGZVFWFLSA-N 1 0 343.423 3.140 20 10 EGCDRO COc1cccc(C[N@@H+]2CCCN(Cc3ccccc3)C[C@H]2C)c1O ZINC000093611381 1292926257 /nfs/dbraw/zinc/92/62/57/1292926257.db2.gz OHCBBGDSPDUPMF-QGZVFWFLSA-N 1 0 340.467 3.497 20 10 EGCDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000832272696 1292979534 /nfs/dbraw/zinc/97/95/34/1292979534.db2.gz JFGBGCOINHOZOP-AUUYWEPGSA-N 1 0 343.446 3.202 20 10 EGCDRO Cc1ccc(C[C@@H](C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832267238 1292979622 /nfs/dbraw/zinc/97/96/22/1292979622.db2.gz OPTUWGJRCCINHN-OXQOHEQNSA-N 1 0 339.483 3.056 20 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/nfs/dbraw/zinc/17/22/33/1293172233.db2.gz FOUHVUBFKXISKQ-SWLSCSKDSA-N 1 0 330.350 3.120 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000118945045 1293247802 /nfs/dbraw/zinc/24/78/02/1293247802.db2.gz JRVNIWXRIIZZJT-ZCNNSNEGSA-N 1 0 344.499 3.457 20 10 EGCDRO Cc1ncsc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132482126 1293719826 /nfs/dbraw/zinc/71/98/26/1293719826.db2.gz KYUBLVGRWNMUOE-GFCCVEGCSA-N 1 0 335.448 3.278 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000133895923 1293756522 /nfs/dbraw/zinc/75/65/22/1293756522.db2.gz ZRCVJDCZRMIOFA-HNNXBMFYSA-N 1 0 343.446 3.281 20 10 EGCDRO Fc1cccc(C2([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000152856271 1293987382 /nfs/dbraw/zinc/98/73/82/1293987382.db2.gz FWIFKDUGXDFOJM-UHFFFAOYSA-N 1 0 326.415 3.441 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(O)cc1C ZINC000160190703 1294261950 /nfs/dbraw/zinc/26/19/50/1294261950.db2.gz QWMLCIQZJGFAIB-OAHLLOKOSA-N 1 0 348.487 3.084 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2C)cc1 ZINC000160921255 1294280846 /nfs/dbraw/zinc/28/08/46/1294280846.db2.gz KRAPKGUSUABCIG-HZPDHXFCSA-N 1 0 341.455 3.102 20 10 EGCDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c(C(C)(C)C)c1 ZINC000164434878 1294347475 /nfs/dbraw/zinc/34/74/75/1294347475.db2.gz ZFQOIKHVKQIUSP-CVEARBPZSA-N 1 0 332.488 3.367 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000172139539 1294428699 /nfs/dbraw/zinc/42/86/99/1294428699.db2.gz SGDGDIAAXWWGRJ-GOSISDBHSA-N 1 0 346.519 3.016 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181922343 1295006568 /nfs/dbraw/zinc/00/65/68/1295006568.db2.gz SASDZUSQZWHBJF-LJQANCHMSA-N 1 0 327.424 3.234 20 10 EGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000182358426 1295038931 /nfs/dbraw/zinc/03/89/31/1295038931.db2.gz SKHPRCNYUZWILU-LLVKDONJSA-N 1 0 333.359 3.177 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NCc2nc(Cc3ccccc3)no2)c1 ZINC000182432145 1295047594 /nfs/dbraw/zinc/04/75/94/1295047594.db2.gz BXTACOLPHZIRFK-CYBMUJFWSA-N 1 0 339.395 3.225 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1nccn1C ZINC000182764314 1295072198 /nfs/dbraw/zinc/07/21/98/1295072198.db2.gz OROSUVXOFTZONB-GOSISDBHSA-N 1 0 328.460 3.138 20 10 EGCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(C)c(C)cc2O)cc1 ZINC000184892643 1295226613 /nfs/dbraw/zinc/22/66/13/1295226613.db2.gz REXCRRCOEXYEFQ-UHFFFAOYSA-N 1 0 343.423 3.193 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000185173737 1295247174 /nfs/dbraw/zinc/24/71/74/1295247174.db2.gz GFFOEXNPEBEUTO-CVEARBPZSA-N 1 0 340.467 3.498 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc2ccccc2c1O ZINC000185361396 1295259074 /nfs/dbraw/zinc/25/90/74/1295259074.db2.gz QXRXOBMQKRQEAK-OAHLLOKOSA-N 1 0 328.456 3.307 20 10 EGCDRO C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000185523784 1295269543 /nfs/dbraw/zinc/26/95/43/1295269543.db2.gz XXRJPTJBGQJPOQ-HZPDHXFCSA-N 1 0 333.472 3.365 20 10 EGCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000186720125 1295345205 /nfs/dbraw/zinc/34/52/05/1295345205.db2.gz FHQULEQPMAUDFP-SFHVURJKSA-N 1 0 339.407 3.191 20 10 EGCDRO C[C@H](CN1CCCCC1)[NH2+]Cc1cc(Br)ccc1O ZINC000227437070 1296143808 /nfs/dbraw/zinc/14/38/08/1296143808.db2.gz PYWJEUYOZREYRW-GFCCVEGCSA-N 1 0 327.266 3.119 20 10 EGCDRO CC[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000227721223 1296148032 /nfs/dbraw/zinc/14/80/32/1296148032.db2.gz AYIAQUAHELMFRB-YPMHNXCESA-N 1 0 326.412 3.485 20 10 EGCDRO CCN(CC)C(=O)C1([NH2+]Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000237000292 1296216017 /nfs/dbraw/zinc/21/60/17/1296216017.db2.gz MQLFZZUFVBTBDU-UHFFFAOYSA-N 1 0 331.504 3.414 20 10 EGCDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000237251307 1296230806 /nfs/dbraw/zinc/23/08/06/1296230806.db2.gz HCIAZLJMJIPBMT-SFHVURJKSA-N 1 0 339.483 3.474 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)c2C)cc1 ZINC000237505942 1296247085 /nfs/dbraw/zinc/24/70/85/1296247085.db2.gz GUFUICZSXJDQBL-CJNGLKHVSA-N 1 0 341.455 3.055 20 10 EGCDRO CC(C)C[NH+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)C ZINC000248067625 1296405198 /nfs/dbraw/zinc/40/51/98/1296405198.db2.gz AACJMKJNEHZHKP-UHFFFAOYSA-N 1 0 333.520 3.325 20 10 EGCDRO O=C(C[NH2+][C@@H](CO)C1CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254387618 1296470538 /nfs/dbraw/zinc/47/05/38/1296470538.db2.gz XNUWWYNMUVWLLR-SFHVURJKSA-N 1 0 338.411 3.401 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000261380044 1296589480 /nfs/dbraw/zinc/58/94/80/1296589480.db2.gz DFJJUCWIASPXFN-HNNXBMFYSA-N 1 0 327.472 3.473 20 10 EGCDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000261876835 1296607009 /nfs/dbraw/zinc/60/70/09/1296607009.db2.gz TTXHSUFKZRFYAE-PBHICJAKSA-N 1 0 325.456 3.212 20 10 EGCDRO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000262055813 1296617204 /nfs/dbraw/zinc/61/72/04/1296617204.db2.gz XHYSFMTWVWIJDC-UHFFFAOYSA-N 1 0 325.456 3.167 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000275302789 1296713523 /nfs/dbraw/zinc/71/35/23/1296713523.db2.gz IHZYFIPPYDKMPX-IMJCEVDSSA-N 1 0 326.234 3.434 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000872137158 1296762378 /nfs/dbraw/zinc/76/23/78/1296762378.db2.gz OFFKLDYMMRNHCT-ARGWCVDVSA-N 1 0 345.439 3.491 20 10 EGCDRO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000303656691 1296842863 /nfs/dbraw/zinc/84/28/63/1296842863.db2.gz GIIPPVHLZPROIQ-IBGZPJMESA-N 1 0 331.504 3.222 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CC(C)(C)OC)cc1Cn1cccn1 ZINC000873062416 1297255270 /nfs/dbraw/zinc/25/52/70/1297255270.db2.gz QKNDVYGXMOEMEG-OAHLLOKOSA-N 1 0 331.460 3.233 20 10 EGCDRO COc1ccc(C[NH2+]CCCOC(C)(C)C)cc1Cn1cccn1 ZINC000873136647 1297292178 /nfs/dbraw/zinc/29/21/78/1297292178.db2.gz GDPUAEDBLDYZGJ-UHFFFAOYSA-N 1 0 331.460 3.235 20 10 EGCDRO Nc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000385717436 1297585851 /nfs/dbraw/zinc/58/58/51/1297585851.db2.gz IMKWDXVSWFUDJB-QGZVFWFLSA-N 1 0 338.455 3.303 20 10 EGCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000387594474 1297598208 /nfs/dbraw/zinc/59/82/08/1297598208.db2.gz UJMKOZQSMRILHY-CQSZACIVSA-N 1 0 334.460 3.357 20 10 EGCDRO CC[C@@H]([NH2+]CCN1CC=CCC1)c1cc(Br)ccc1O ZINC000392322244 1297655787 /nfs/dbraw/zinc/65/57/87/1297655787.db2.gz VVLJYGSXNMDKFY-OAHLLOKOSA-N 1 0 339.277 3.457 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000697870378 1298165594 /nfs/dbraw/zinc/16/55/94/1298165594.db2.gz FXTVOKASHCEVCZ-STQMWFEESA-N 1 0 338.448 3.212 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000715089429 1298276579 /nfs/dbraw/zinc/27/65/79/1298276579.db2.gz FXEYYJPDTHPBBQ-QEJZJMRPSA-N 1 0 332.444 3.272 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000725850322 1298376158 /nfs/dbraw/zinc/37/61/58/1298376158.db2.gz YZNMBZRFRGIVJA-HNNXBMFYSA-N 1 0 327.302 3.114 20 10 EGCDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876797079 1298991491 /nfs/dbraw/zinc/99/14/91/1298991491.db2.gz MFQATSHAWMRJMI-CTNGQTDRSA-N 1 0 346.515 3.283 20 10 EGCDRO CS[C@H]1CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876811810 1299004235 /nfs/dbraw/zinc/00/42/35/1299004235.db2.gz NLTMFJFKCRXVHV-IBGZPJMESA-N 1 0 334.529 3.365 20 10 EGCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000876965999 1299092145 /nfs/dbraw/zinc/09/21/45/1299092145.db2.gz OKZGKBHYNFOPCS-HNNXBMFYSA-N 1 0 343.298 3.179 20 10 EGCDRO COC1CCN(C2(C[NH2+]Cc3ccc(C)cc3O)CCCC2)CC1 ZINC000877046220 1299131241 /nfs/dbraw/zinc/13/12/41/1299131241.db2.gz JHXYLORURWETFM-UHFFFAOYSA-N 1 0 332.488 3.214 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2c(C)cccc2O)c(O[C@@H]2CCOC2)c1 ZINC000877087878 1299152199 /nfs/dbraw/zinc/15/21/99/1299152199.db2.gz VNMYCOOPDIGLOH-QGZVFWFLSA-N 1 0 327.424 3.467 20 10 EGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(C)cc1O ZINC000877114116 1299162964 /nfs/dbraw/zinc/16/29/64/1299162964.db2.gz KZHKJYTWVDOBAF-MRXNPFEDSA-N 1 0 333.453 3.043 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000877143150 1299180641 /nfs/dbraw/zinc/18/06/41/1299180641.db2.gz FYGVBBAKXLKLDX-UHFFFAOYSA-N 1 0 336.317 3.052 20 10 EGCDRO COCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000877183720 1299197647 /nfs/dbraw/zinc/19/76/47/1299197647.db2.gz HLIKNTAOVCGLKM-LJQANCHMSA-N 1 0 344.455 3.108 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000749556063 1299236114 /nfs/dbraw/zinc/23/61/14/1299236114.db2.gz VLVWWMPJIAOYBD-HKUYNNGSSA-N 1 0 346.519 3.205 20 10 EGCDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877468814 1299320890 /nfs/dbraw/zinc/32/08/90/1299320890.db2.gz NLKXBSCWNXTDPT-OAQYLSRUSA-N 1 0 346.515 3.021 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000877540083 1299382133 /nfs/dbraw/zinc/38/21/33/1299382133.db2.gz ROITUWQRUVHQCH-WOJBJXKFSA-N 1 0 344.499 3.037 20 10 EGCDRO CCOC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877553076 1299394052 /nfs/dbraw/zinc/39/40/52/1299394052.db2.gz ZEBBUHLNNGUNBU-UHFFFAOYSA-N 1 0 332.488 3.087 20 10 EGCDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877566811 1299403785 /nfs/dbraw/zinc/40/37/85/1299403785.db2.gz PWDTYJBMHHFBCY-SFTDATJTSA-N 1 0 348.531 3.026 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCCO1 ZINC000753619377 1299993045 /nfs/dbraw/zinc/99/30/45/1299993045.db2.gz MGAJWRGQRYFPPP-DEXNDLTESA-N 1 0 336.451 3.096 20 10 EGCDRO C[C@@H]1C[C@@H](CCNC(=O)C2=CC(=O)CS2)C[N@@H+]1Cc1ccccc1 ZINC000753831632 1300028063 /nfs/dbraw/zinc/02/80/63/1300028063.db2.gz VWYFKCSTXZKROY-GDBMZVCRSA-N 1 0 344.480 3.484 20 10 EGCDRO Cc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000754890340 1300240084 /nfs/dbraw/zinc/24/00/84/1300240084.db2.gz RDIDXWHNPPJGJC-SFHVURJKSA-N 1 0 346.496 3.069 20 10 EGCDRO COCC(C)(C)C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000755196740 1300297133 /nfs/dbraw/zinc/29/71/33/1300297133.db2.gz YBSQMYWPDFYQEU-INIZCTEOSA-N 1 0 340.895 3.272 20 10 EGCDRO COCC(C)(C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000755194985 1300297198 /nfs/dbraw/zinc/29/71/98/1300297198.db2.gz MTEDXEOWCYWAJA-GASCZTMLSA-N 1 0 338.467 3.202 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000756047239 1300432207 /nfs/dbraw/zinc/43/22/07/1300432207.db2.gz QQTHNZNIKLQUFG-AZUAARDMSA-N 1 0 336.439 3.450 20 10 EGCDRO C[C@H]([NH2+]CCc1nnc2ccccn21)c1cc2c(cc1O)CCCC2 ZINC000756360819 1300475857 /nfs/dbraw/zinc/47/58/57/1300475857.db2.gz GUSPTOOGBLOCMD-AWEZNQCLSA-N 1 0 336.439 3.207 20 10 EGCDRO COc1ccc([C@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756381507 1300480807 /nfs/dbraw/zinc/48/08/07/1300480807.db2.gz MCLROTZAQHGGKR-XNJJOIOASA-N 1 0 331.387 3.411 20 10 EGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1C[C@H](C)c3c1c(O)ccc3F)C2 ZINC000756396986 1300482832 /nfs/dbraw/zinc/48/28/32/1300482832.db2.gz RDCYUGXDPFFIKQ-NKFCBESUSA-N 1 0 327.403 3.325 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756453656 1300495193 /nfs/dbraw/zinc/49/51/93/1300495193.db2.gz HQMOPNWVLHBDCA-CKEIUWERSA-N 1 0 345.414 3.418 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c(O)c1C ZINC000756455142 1300496222 /nfs/dbraw/zinc/49/62/22/1300496222.db2.gz PMNGKWVDAXAMLG-AWEZNQCLSA-N 1 0 330.403 3.229 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c(O)c1 ZINC000756457076 1300496511 /nfs/dbraw/zinc/49/65/11/1300496511.db2.gz GCSOWLMHRXGSEF-IAGOWNOFSA-N 1 0 329.440 3.408 20 10 EGCDRO C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756482874 1300503096 /nfs/dbraw/zinc/50/30/96/1300503096.db2.gz JQEKBSHVIDJVAQ-MGPQQGTHSA-N 1 0 342.430 3.210 20 10 EGCDRO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2)c1 ZINC000756538700 1300516939 /nfs/dbraw/zinc/51/69/39/1300516939.db2.gz FABPPKXGVZXCCI-ZFWWWQNUSA-N 1 0 330.403 3.469 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000756587769 1300527114 /nfs/dbraw/zinc/52/71/14/1300527114.db2.gz CJNNCVKMAQFMHO-SUMWQHHRSA-N 1 0 336.476 3.196 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(Br)ccc1O ZINC000756648795 1300539669 /nfs/dbraw/zinc/53/96/69/1300539669.db2.gz YTZBPUSPIMMFJI-ZIBATOQPSA-N 1 0 339.277 3.288 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)ccc1O ZINC000756656102 1300542126 /nfs/dbraw/zinc/54/21/26/1300542126.db2.gz UHYHHCIWKYVKFQ-DOMZBBRYSA-N 1 0 336.863 3.487 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1C ZINC000756658495 1300542673 /nfs/dbraw/zinc/54/26/73/1300542673.db2.gz KBTVNPOELWVOPW-RDJZCZTQSA-N 1 0 330.472 3.451 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)c2c1c(F)ccc2O ZINC000756682475 1300547761 /nfs/dbraw/zinc/54/77/61/1300547761.db2.gz DMTNKCOMGHVEPL-IAQYHMDHSA-N 1 0 328.387 3.011 20 10 EGCDRO CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)N1CCCC1 ZINC000756707272 1300549596 /nfs/dbraw/zinc/54/95/96/1300549596.db2.gz XPMZTRGCWKYQHW-DFHBCGBQSA-N 1 0 334.435 3.316 20 10 EGCDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1O ZINC000879648376 1300647491 /nfs/dbraw/zinc/64/74/91/1300647491.db2.gz LXNQXEDOMRXUIE-CYBMUJFWSA-N 1 0 337.416 3.046 20 10 EGCDRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649176 1300649275 /nfs/dbraw/zinc/64/92/75/1300649275.db2.gz KVZZSKWQHDYFQR-KGLIPLIRSA-N 1 0 335.831 3.445 20 10 EGCDRO C[N@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@H]1CCNC1=O ZINC000758409007 1300875268 /nfs/dbraw/zinc/87/52/68/1300875268.db2.gz PXURRCQNBDALRS-INIZCTEOSA-N 1 0 332.488 3.308 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000758521321 1300901426 /nfs/dbraw/zinc/90/14/26/1300901426.db2.gz CMVQNKMKUYFCOQ-ICSRJNTNSA-N 1 0 345.414 3.186 20 10 EGCDRO Cc1cc(C(=O)CN2CC[C@@H](CF)C2)c(C)n1-c1ccc(F)cn1 ZINC000880299527 1301037693 /nfs/dbraw/zinc/03/76/93/1301037693.db2.gz IDKIKMFIWACDSN-AWEZNQCLSA-N 1 0 333.382 3.102 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000880598629 1301177212 /nfs/dbraw/zinc/17/72/12/1301177212.db2.gz UXCGOGZOKNREMO-UHFFFAOYSA-N 1 0 342.443 3.293 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3cccnn3)CC2)c2c1c(F)ccc2O ZINC000760048217 1301214137 /nfs/dbraw/zinc/21/41/37/1301214137.db2.gz RRTQIRYFJUTOTG-DOMZBBRYSA-N 1 0 342.418 3.128 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000760700378 1301323320 /nfs/dbraw/zinc/32/33/20/1301323320.db2.gz HPLRYYGEJILZOX-UHFFFAOYSA-N 1 0 339.361 3.335 20 10 EGCDRO CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)CC1CC1 ZINC000761195223 1301418571 /nfs/dbraw/zinc/41/85/71/1301418571.db2.gz KGBIZWHFBLADIO-UHFFFAOYSA-N 1 0 341.835 3.219 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC000762964940 1301796055 /nfs/dbraw/zinc/79/60/55/1301796055.db2.gz UAWCZHURACGQON-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)c1 ZINC000763881371 1301974290 /nfs/dbraw/zinc/97/42/90/1301974290.db2.gz CVLZHOHFRJHDBM-BBRMVZONSA-N 1 0 334.460 3.089 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000764839672 1302147240 /nfs/dbraw/zinc/14/72/40/1302147240.db2.gz LNIXXOQLZVRQCP-LJQANCHMSA-N 1 0 329.488 3.194 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000765254413 1302229588 /nfs/dbraw/zinc/22/95/88/1302229588.db2.gz JGXFMGZUBSCYOK-MRXNPFEDSA-N 1 0 325.456 3.142 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000765253693 1302229920 /nfs/dbraw/zinc/22/99/20/1302229920.db2.gz LCEBOLVJYQJTIY-MAUKXSAKSA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)COC2 ZINC000765280808 1302236388 /nfs/dbraw/zinc/23/63/88/1302236388.db2.gz BTBUKAGPCMGLEZ-INIZCTEOSA-N 1 0 338.451 3.404 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765381000 1302258627 /nfs/dbraw/zinc/25/86/27/1302258627.db2.gz IVOGOXJBVZKRDI-IBGZPJMESA-N 1 0 325.456 3.110 20 10 EGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000765708013 1302311922 /nfs/dbraw/zinc/31/19/22/1302311922.db2.gz SKPQCOKTXSIODA-YOEHRIQHSA-N 1 0 326.440 3.416 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765781740 1302325820 /nfs/dbraw/zinc/32/58/20/1302325820.db2.gz PTUJXAJUGCYPIH-LSDHHAIUSA-N 1 0 349.906 3.064 20 10 EGCDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765788038 1302326817 /nfs/dbraw/zinc/32/68/17/1302326817.db2.gz IBPMYFBMSMACHY-OALUTQOASA-N 1 0 345.531 3.438 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765803293 1302332865 /nfs/dbraw/zinc/33/28/65/1302332865.db2.gz YLYYFKCMVSMKOL-OAHLLOKOSA-N 1 0 344.430 3.005 20 10 EGCDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766489277 1302461527 /nfs/dbraw/zinc/46/15/27/1302461527.db2.gz NYSHNHZNZYVISU-CVEARBPZSA-N 1 0 343.446 3.339 20 10 EGCDRO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000766609390 1302486209 /nfs/dbraw/zinc/48/62/09/1302486209.db2.gz YXGLAEJDXUTFDA-GFCCVEGCSA-N 1 0 326.366 3.362 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000768184416 1302847586 /nfs/dbraw/zinc/84/75/86/1302847586.db2.gz HESJJFWNXSOWJN-UHFFFAOYSA-N 1 0 346.858 3.372 20 10 EGCDRO CCOc1ccc(O)c(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000768215353 1302856836 /nfs/dbraw/zinc/85/68/36/1302856836.db2.gz DOSSGEUCMAZYAC-UHFFFAOYSA-N 1 0 340.467 3.151 20 10 EGCDRO c1ccc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000768236634 1302864001 /nfs/dbraw/zinc/86/40/01/1302864001.db2.gz IACVZJAVEPVGRD-OAQYLSRUSA-N 1 0 338.451 3.097 20 10 EGCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000768248966 1302866390 /nfs/dbraw/zinc/86/63/90/1302866390.db2.gz MQFDFKMRUGKBMJ-GFCCVEGCSA-N 1 0 340.851 3.487 20 10 EGCDRO CCCCCNC(=O)C1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000768311945 1302879623 /nfs/dbraw/zinc/87/96/23/1302879623.db2.gz LLNLNUIPOKPGOC-UHFFFAOYSA-N 1 0 348.487 3.309 20 10 EGCDRO COc1ccc(OC2CC[NH+](Cc3c(O)cccc3OC)CC2)cc1 ZINC000768367549 1302888172 /nfs/dbraw/zinc/88/81/72/1302888172.db2.gz RVLAEYFQPCQGKP-UHFFFAOYSA-N 1 0 343.423 3.453 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](Cc1cccc(F)c1)C1CC1)[C@@H](O)CO2 ZINC000768439291 1302901404 /nfs/dbraw/zinc/90/14/04/1302901404.db2.gz FIXPXRUELBUWIY-SFHVURJKSA-N 1 0 329.371 3.122 20 10 EGCDRO CC(C)[N@H+](Cc1ccccc1F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441159 1302903194 /nfs/dbraw/zinc/90/31/94/1302903194.db2.gz WKITXDACAJLSOW-GOSISDBHSA-N 1 0 331.387 3.368 20 10 EGCDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1O)OC[C@@H]3O)CCC2 ZINC000768449595 1302909712 /nfs/dbraw/zinc/90/97/12/1302909712.db2.gz WQCFROFOUFEJCE-ZBFHGGJFSA-N 1 0 346.452 3.092 20 10 EGCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000769216260 1303075124 /nfs/dbraw/zinc/07/51/24/1303075124.db2.gz GUSFGXHDXTVDEL-KRWDZBQOSA-N 1 0 349.494 3.410 20 10 EGCDRO CN1CCCc2cc(CNC(=O)CC[N@H+](C)C3CCCCC3)ccc21 ZINC000769692465 1303160156 /nfs/dbraw/zinc/16/01/56/1303160156.db2.gz JSMYIQCOZLNNQY-UHFFFAOYSA-N 1 0 343.515 3.340 20 10 EGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000769914153 1303191800 /nfs/dbraw/zinc/19/18/00/1303191800.db2.gz VGMFRARFCKJSTJ-KRWDZBQOSA-N 1 0 325.836 3.375 20 10 EGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770385266 1303259540 /nfs/dbraw/zinc/25/95/40/1303259540.db2.gz VUAAUOFDHSMUIF-HNNXBMFYSA-N 1 0 336.451 3.447 20 10 EGCDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324823 1303434398 /nfs/dbraw/zinc/43/43/98/1303434398.db2.gz ILMWYUULJYNMPO-DNVCBOLYSA-N 1 0 343.515 3.303 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccc(N2CCCCC2)cc1 ZINC000886666624 1303546042 /nfs/dbraw/zinc/54/60/42/1303546042.db2.gz WRQDLOIQYGJJPT-ILZDJORESA-N 1 0 332.488 3.258 20 10 EGCDRO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747058 1303582029 /nfs/dbraw/zinc/58/20/29/1303582029.db2.gz JWEMYPDDCWONGD-WOJBJXKFSA-N 1 0 343.515 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EGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858176703 1328704638 /nfs/dbraw/zinc/70/46/38/1328704638.db2.gz FPTOZPNLFSDWEL-BMIGLBTASA-N 1 0 328.250 3.448 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C)c(C)o3)C2)cc1C ZINC001020074048 1317535390 /nfs/dbraw/zinc/53/53/90/1317535390.db2.gz VSRFLXPQNSTWOU-QAQDUYKDSA-N 1 0 342.439 3.264 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000858186074 1328706967 /nfs/dbraw/zinc/70/69/67/1328706967.db2.gz PUOCTPWVXRBBOI-HUUCEWRRSA-N 1 0 339.277 3.261 20 10 EGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(O)c1 ZINC000903447821 1317701205 /nfs/dbraw/zinc/70/12/05/1317701205.db2.gz CVUPLXUMOKEPID-MGPUTAFESA-N 1 0 327.472 3.412 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2CCCO)N(C)C)cc1 ZINC000903448740 1317702291 /nfs/dbraw/zinc/70/22/91/1317702291.db2.gz RRMNYMKCWQTNPG-WMQCIHAUSA-N 1 0 347.547 3.276 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1O ZINC000808690685 1317716713 /nfs/dbraw/zinc/71/67/13/1317716713.db2.gz BMWPOSRCIPBYFF-MELADBBJSA-N 1 0 326.868 3.114 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c1O ZINC000858251053 1328722743 /nfs/dbraw/zinc/72/27/43/1328722743.db2.gz SVWZABOLYHHRFH-UHFFFAOYSA-N 1 0 328.412 3.063 20 10 EGCDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809637469 1317853092 /nfs/dbraw/zinc/85/30/92/1317853092.db2.gz VEHWCAAEDWEFII-UTKZUKDTSA-N 1 0 336.479 3.452 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+](CCc2ccccc2)CCN(C)C)c1 ZINC000809731360 1317881494 /nfs/dbraw/zinc/88/14/94/1317881494.db2.gz UXQMXBHFLGVFCP-UHFFFAOYSA-N 1 0 342.483 3.397 20 10 EGCDRO COc1cccc(O)c1CN(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000809737598 1317884886 /nfs/dbraw/zinc/88/48/86/1317884886.db2.gz JEGHQAHVTIYEIL-UHFFFAOYSA-N 1 0 332.419 3.104 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000809740338 1317885634 /nfs/dbraw/zinc/88/56/34/1317885634.db2.gz UPIMNTQLJTVIGG-QWHCGFSZSA-N 1 0 338.448 3.182 20 10 EGCDRO COc1cccc(O)c1CN(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000809741663 1317885675 /nfs/dbraw/zinc/88/56/75/1317885675.db2.gz RPLLREIIWZESFJ-UHFFFAOYSA-N 1 0 328.456 3.273 20 10 EGCDRO COCCN(CC[NH+](C)C)Cc1cc(-c2ccccc2)ccc1O ZINC000809741235 1317886180 /nfs/dbraw/zinc/88/61/80/1317886180.db2.gz QLYNRGZRQCCFGG-UHFFFAOYSA-N 1 0 328.456 3.069 20 10 EGCDRO COc1cccc(O)c1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000809740502 1317886196 /nfs/dbraw/zinc/88/61/96/1317886196.db2.gz BCWNJSKIGSOVFZ-GFCCVEGCSA-N 1 0 326.396 3.136 20 10 EGCDRO CN(C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000809986059 1317930579 /nfs/dbraw/zinc/93/05/79/1317930579.db2.gz XLFWLUDOYMOXFM-FQEVSTJZSA-N 1 0 340.467 3.157 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3cccc(C)c3)C2)cc1 ZINC000905291052 1317944873 /nfs/dbraw/zinc/94/48/73/1317944873.db2.gz OEMBZMKZFDSNLA-UTKZUKDTSA-N 1 0 340.467 3.153 20 10 EGCDRO CC[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)OCCc2ccccc21 ZINC000810160248 1317965572 /nfs/dbraw/zinc/96/55/72/1317965572.db2.gz ZONJHLHLAVWUBA-HXUWFJFHSA-N 1 0 341.407 3.089 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810213287 1317977283 /nfs/dbraw/zinc/97/72/83/1317977283.db2.gz QMAMXADZQCIMLQ-DZGCQCFKSA-N 1 0 349.393 3.485 20 10 EGCDRO COC(=O)CC1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000858352030 1328743471 /nfs/dbraw/zinc/74/34/71/1328743471.db2.gz RQCWOAMUBQJAHS-UHFFFAOYSA-N 1 0 330.472 3.498 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)C2CCCC2)c1O ZINC000811518697 1318194031 /nfs/dbraw/zinc/19/40/31/1318194031.db2.gz OVYQHNDRMUICHK-CQSZACIVSA-N 1 0 328.250 3.104 20 10 EGCDRO CON(C)C(=O)C1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000812291935 1318360844 /nfs/dbraw/zinc/36/08/44/1318360844.db2.gz DBQZPCXYFMRILY-UHFFFAOYSA-N 1 0 348.487 3.230 20 10 EGCDRO Oc1cccc(Cl)c1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000812778683 1318452095 /nfs/dbraw/zinc/45/20/95/1318452095.db2.gz MZXLXOUQYHNOEJ-OAHLLOKOSA-N 1 0 332.831 3.224 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccncc2)c1 ZINC000813330623 1318535162 /nfs/dbraw/zinc/53/51/62/1318535162.db2.gz BEZXBVJNZLQXED-ZDUSSCGKSA-N 1 0 338.411 3.047 20 10 EGCDRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000813883071 1318649902 /nfs/dbraw/zinc/64/99/02/1318649902.db2.gz QDEMQBFYLLGTKR-AWEZNQCLSA-N 1 0 340.895 3.500 20 10 EGCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000814170892 1318687579 /nfs/dbraw/zinc/68/75/79/1318687579.db2.gz DFJSNHITWYMIIJ-FQEVSTJZSA-N 1 0 325.408 3.017 20 10 EGCDRO CSC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000814178962 1318690837 /nfs/dbraw/zinc/69/08/37/1318690837.db2.gz KXRUJDDLTHQENM-INIZCTEOSA-N 1 0 338.492 3.237 20 10 EGCDRO CCc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)cc1 ZINC000814224662 1318703156 /nfs/dbraw/zinc/70/31/56/1318703156.db2.gz LGEQPEXGVGRRFN-OXJNMPFZSA-N 1 0 339.435 3.370 20 10 EGCDRO CCc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)cc1 ZINC000814224663 1318704502 /nfs/dbraw/zinc/70/45/02/1318704502.db2.gz LGEQPEXGVGRRFN-OXQOHEQNSA-N 1 0 339.435 3.370 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccoc3Cl)C2)cc1C ZINC001022020137 1318771242 /nfs/dbraw/zinc/77/12/42/1318771242.db2.gz VVQPSWWDDJEKQS-OKILXGFUSA-N 1 0 348.830 3.301 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@@H](F)C3)C2)cc1C ZINC001022067472 1318787122 /nfs/dbraw/zinc/78/71/22/1318787122.db2.gz GAOMMVSTQTXJSO-XWTMOSNGSA-N 1 0 348.462 3.269 20 10 EGCDRO Cc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)ccc1N(C)C ZINC000815019582 1318868201 /nfs/dbraw/zinc/86/82/01/1318868201.db2.gz JIPSUOOEAXGOGV-UHFFFAOYSA-N 1 0 331.504 3.140 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)ccc1N(C)C ZINC000815047539 1318873648 /nfs/dbraw/zinc/87/36/48/1318873648.db2.gz JSKOTJVDPQPRFX-GOSISDBHSA-N 1 0 345.531 3.435 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)(C)O ZINC000815651788 1319037077 /nfs/dbraw/zinc/03/70/77/1319037077.db2.gz DKAPXQCAECYVDP-CXAGYDPISA-N 1 0 340.895 3.377 20 10 EGCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc3ccccc3c1O)CC2 ZINC000816514602 1319170845 /nfs/dbraw/zinc/17/08/45/1319170845.db2.gz BZZGNRAWXGWYTM-OALUTQOASA-N 1 0 341.451 3.297 20 10 EGCDRO COc1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1O ZINC000816631224 1319197039 /nfs/dbraw/zinc/19/70/39/1319197039.db2.gz KFOKCJSEQUVEIS-LJQANCHMSA-N 1 0 327.424 3.394 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(N2CCOC2=O)cc1 ZINC000816625553 1319197058 /nfs/dbraw/zinc/19/70/58/1319197058.db2.gz HNLKNTWRSABMIL-GFCCVEGCSA-N 1 0 330.359 3.339 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1O ZINC000816661344 1319203220 /nfs/dbraw/zinc/20/32/20/1319203220.db2.gz KQLHDJOGWPFDCW-IAQYHMDHSA-N 1 0 328.250 3.104 20 10 EGCDRO CN(C)c1ccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000914689059 1319363266 /nfs/dbraw/zinc/36/32/66/1319363266.db2.gz HIUKLFHLOJZLRA-UHFFFAOYSA-N 1 0 346.519 3.206 20 10 EGCDRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)CCC2 ZINC000817938506 1319467433 /nfs/dbraw/zinc/46/74/33/1319467433.db2.gz LTUUGVUOVJDPOW-NHCUHLMSSA-N 1 0 339.483 3.428 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000817942602 1319470099 /nfs/dbraw/zinc/47/00/99/1319470099.db2.gz PUZBYLFZUKRYMZ-RTBURBONSA-N 1 0 331.410 3.308 20 10 EGCDRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000817981260 1319485875 /nfs/dbraw/zinc/48/58/75/1319485875.db2.gz QSFCFKPJCZWBHP-PXNSSMCTSA-N 1 0 331.504 3.096 20 10 EGCDRO C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000817984643 1319486999 /nfs/dbraw/zinc/48/69/99/1319486999.db2.gz WOCGMYVLQRWYRJ-VIFPVBQESA-N 1 0 331.229 3.087 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C3(OC)CCCC3)C2)cc1 ZINC000818341995 1319530621 /nfs/dbraw/zinc/53/06/21/1319530621.db2.gz JXZBSPHOHRMJMD-SJORKVTESA-N 1 0 332.488 3.459 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)C1(C)C ZINC000818341778 1319530634 /nfs/dbraw/zinc/53/06/34/1319530634.db2.gz GFNQVTVPAVQCMI-KFKAGJAMSA-N 1 0 332.488 3.315 20 10 EGCDRO C[C@@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1cc(F)ccc1O ZINC000818352709 1319533099 /nfs/dbraw/zinc/53/30/99/1319533099.db2.gz OKKMVPKOWWIMEM-OAHLLOKOSA-N 1 0 344.430 3.321 20 10 EGCDRO Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000818633293 1319573046 /nfs/dbraw/zinc/57/30/46/1319573046.db2.gz FBLDIYMEXWLEOR-CQSZACIVSA-N 1 0 326.444 3.402 20 10 EGCDRO O=C(CC[NH2+]CCCSc1nccs1)Nc1ccccc1F ZINC000819063692 1319624616 /nfs/dbraw/zinc/62/46/16/1319624616.db2.gz PRVBYAHNOXNTHQ-UHFFFAOYSA-N 1 0 339.461 3.383 20 10 EGCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819291454 1319691420 /nfs/dbraw/zinc/69/14/20/1319691420.db2.gz VIPYQZSBAYETLH-UKRRQHHQSA-N 1 0 342.936 3.390 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3ccc(C)cc3)C2)cc1 ZINC000819379150 1319714231 /nfs/dbraw/zinc/71/42/31/1319714231.db2.gz CUILCVJQVMULNY-DYESRHJHSA-N 1 0 340.467 3.153 20 10 EGCDRO CC(C)[N@H+](CC(=O)NCc1cccs1)Cc1ccc(N(C)C)cc1 ZINC000917075246 1319751080 /nfs/dbraw/zinc/75/10/80/1319751080.db2.gz SOHIDIYDRKYYEH-UHFFFAOYSA-N 1 0 345.512 3.341 20 10 EGCDRO Cc1cc(C(=O)NCC[NH+]2CCCCCC2)c(C)n1-c1ccccn1 ZINC000917099831 1319757882 /nfs/dbraw/zinc/75/78/82/1319757882.db2.gz IKIMTPYZCKVSNT-UHFFFAOYSA-N 1 0 340.471 3.095 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000820504477 1319900401 /nfs/dbraw/zinc/90/04/01/1319900401.db2.gz XFZULVKGBVJFNW-HNAYVOBHSA-N 1 0 343.446 3.398 20 10 EGCDRO CCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770195 1319921009 /nfs/dbraw/zinc/92/10/09/1319921009.db2.gz SRVBXXYTBHLJRH-CQSZACIVSA-N 1 0 345.447 3.091 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C3CCC3)C2)cc1C ZINC001023794762 1319939624 /nfs/dbraw/zinc/93/96/24/1319939624.db2.gz NJFDSCQESODCDW-KRWDZBQOSA-N 1 0 330.472 3.132 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC000962411443 1319952955 /nfs/dbraw/zinc/95/29/55/1319952955.db2.gz CFJOULDFSOUVMF-SOTJZCEJSA-N 1 0 342.483 3.034 20 10 EGCDRO Cc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000918700646 1319991516 /nfs/dbraw/zinc/99/15/16/1319991516.db2.gz GQHNFJXRIZALLN-LJQANCHMSA-N 1 0 343.446 3.303 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)ncc1F)c1ccc(N2CCOCC2)cc1 ZINC000823729876 1320201653 /nfs/dbraw/zinc/20/16/53/1320201653.db2.gz LOEJIEIMVCBCNY-CYBMUJFWSA-N 1 0 333.382 3.047 20 10 EGCDRO C[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[N@@H+](C2CC2)C1 ZINC000824445892 1320259079 /nfs/dbraw/zinc/25/90/79/1320259079.db2.gz OCHVMZNFNOWXKC-GFCCVEGCSA-N 1 0 339.277 3.071 20 10 EGCDRO Oc1cc(Br)ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000824556077 1320264458 /nfs/dbraw/zinc/26/44/58/1320264458.db2.gz LWXMMACLZDROOC-LLVKDONJSA-N 1 0 326.234 3.156 20 10 EGCDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000824576362 1320266738 /nfs/dbraw/zinc/26/67/38/1320266738.db2.gz KPZDFIULZCMDTO-GOSISDBHSA-N 1 0 340.423 3.332 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@H](CC)NC(=O)OC(C)(C)C)c(O)c1 ZINC000824660571 1320274828 /nfs/dbraw/zinc/27/48/28/1320274828.db2.gz GOHJLMTUSYCVED-CQSZACIVSA-N 1 0 338.448 3.184 20 10 EGCDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824696227 1320277851 /nfs/dbraw/zinc/27/78/51/1320277851.db2.gz IQFGIHGKYOIGEK-AWEZNQCLSA-N 1 0 335.448 3.224 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1C ZINC000825110029 1320311597 /nfs/dbraw/zinc/31/15/97/1320311597.db2.gz BXCLIWRYRLRRQD-HOTGVXAUSA-N 1 0 338.451 3.465 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c1 ZINC000825117313 1320312386 /nfs/dbraw/zinc/31/23/86/1320312386.db2.gz ACVCERJEKSLHAT-BPQIPLTHSA-N 1 0 329.444 3.184 20 10 EGCDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825138634 1320314709 /nfs/dbraw/zinc/31/47/09/1320314709.db2.gz RLHSXILXQFIFRQ-HNNXBMFYSA-N 1 0 335.831 3.192 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@H]2CCO[C@H]21 ZINC000825303839 1320326269 /nfs/dbraw/zinc/32/62/69/1320326269.db2.gz MVMUBAJDRPRCIA-MRVWCRGKSA-N 1 0 326.234 3.058 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1Cl ZINC000825366315 1320332065 /nfs/dbraw/zinc/33/20/65/1320332065.db2.gz VOUDHZODRFGBIU-INIZCTEOSA-N 1 0 336.863 3.377 20 10 EGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825944135 1320373514 /nfs/dbraw/zinc/37/35/14/1320373514.db2.gz QZRNNWNSCGOZDU-OAHLLOKOSA-N 1 0 328.250 3.139 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c1O ZINC000827261151 1320438708 /nfs/dbraw/zinc/43/87/08/1320438708.db2.gz VWJOMQXVGASCHK-AWEZNQCLSA-N 1 0 337.778 3.287 20 10 EGCDRO CCCC[C@H](COC)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145946 1320880778 /nfs/dbraw/zinc/88/07/78/1320880778.db2.gz VMDHHGWQSUVXOM-OAHLLOKOSA-N 1 0 342.430 3.096 20 10 EGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839170813 1320884052 /nfs/dbraw/zinc/88/40/52/1320884052.db2.gz TXKDLFCPTNMJTJ-QGZVFWFLSA-N 1 0 336.451 3.053 20 10 EGCDRO CCN(Cc1cc(Br)ccc1O)[C@H](C)c1nnc(C)[nH]1 ZINC000839497218 1320928875 /nfs/dbraw/zinc/92/88/75/1320928875.db2.gz BAKBWZQXGWMHRT-SECBINFHSA-N 1 0 339.237 3.164 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c1 ZINC000839538359 1320934510 /nfs/dbraw/zinc/93/45/10/1320934510.db2.gz BCNDUDIKYOPDFL-SJKOYZFVSA-N 1 0 326.396 3.005 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1O ZINC000840760077 1321142915 /nfs/dbraw/zinc/14/29/15/1321142915.db2.gz QZQRSIOXRQBOQA-CYBMUJFWSA-N 1 0 348.393 3.358 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c(O)c1C ZINC000840797147 1321150762 /nfs/dbraw/zinc/15/07/62/1321150762.db2.gz IOYHCARAKKZALE-RDJZCZTQSA-N 1 0 349.471 3.075 20 10 EGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840818634 1321155789 /nfs/dbraw/zinc/15/57/89/1321155789.db2.gz SLOLFWAWDCJYHM-VHSSKADRSA-N 1 0 338.879 3.395 20 10 EGCDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840837977 1321160043 /nfs/dbraw/zinc/16/00/43/1321160043.db2.gz XZASWTBUCQCNTK-CABCVRRESA-N 1 0 340.895 3.500 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)OCC3CC3)CC2)cc1 ZINC000840873789 1321166641 /nfs/dbraw/zinc/16/66/41/1321166641.db2.gz UBCZGQOZBLKMIP-UHFFFAOYSA-N 1 0 332.488 3.459 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)c1O ZINC000840875059 1321167400 /nfs/dbraw/zinc/16/74/00/1321167400.db2.gz CDCPQXCNKXBGHZ-LLVKDONJSA-N 1 0 333.881 3.218 20 10 EGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000840882813 1321169796 /nfs/dbraw/zinc/16/97/96/1321169796.db2.gz CCQNEECYPFDIRQ-GJZGRUSLSA-N 1 0 336.451 3.271 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000840936854 1321180741 /nfs/dbraw/zinc/18/07/41/1321180741.db2.gz NEPSQAMGMQABDU-WMZHIEFXSA-N 1 0 330.497 3.270 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1O ZINC000840961813 1321188296 /nfs/dbraw/zinc/18/82/96/1321188296.db2.gz ZJVPTABFTGVZDP-INIZCTEOSA-N 1 0 344.411 3.001 20 10 EGCDRO CC[C@](C[NH2+]Cc1cccc(OC)c1O)(C(=O)OC)c1ccccc1 ZINC000840976681 1321192362 /nfs/dbraw/zinc/19/23/62/1321192362.db2.gz DLHGRXZVKYDENZ-HXUWFJFHSA-N 1 0 343.423 3.011 20 10 EGCDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840976566 1321192542 /nfs/dbraw/zinc/19/25/42/1321192542.db2.gz DKPMSUSOYKZHHA-WBVHZDCISA-N 1 0 347.459 3.178 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000840975816 1321192554 /nfs/dbraw/zinc/19/25/54/1321192554.db2.gz LWKJOTAGEGIGSJ-KGLIPLIRSA-N 1 0 333.501 3.292 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000840975898 1321192736 /nfs/dbraw/zinc/19/27/36/1321192736.db2.gz MCTIVDHSKNQNAS-OAHLLOKOSA-N 1 0 346.544 3.300 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(F)c3cccnc23)cc1 ZINC000841044208 1321208349 /nfs/dbraw/zinc/20/83/49/1321208349.db2.gz ULDINCXEQNPJPG-IBGZPJMESA-N 1 0 338.430 3.230 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089409 1321216671 /nfs/dbraw/zinc/21/66/71/1321216671.db2.gz MSZDZGHPQDSKJN-CYBMUJFWSA-N 1 0 339.277 3.227 20 10 EGCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)c2ccccc2C[NH2+]1 ZINC000841089618 1321216951 /nfs/dbraw/zinc/21/69/51/1321216951.db2.gz OZSMCSXWFQIXEU-QGZVFWFLSA-N 1 0 337.467 3.022 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(N)cc1 ZINC000841297267 1321248440 /nfs/dbraw/zinc/24/84/40/1321248440.db2.gz DGXSRLRYQOGZRT-HOTGVXAUSA-N 1 0 338.455 3.396 20 10 EGCDRO C[NH2+]Cc1ccccc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841308690 1321252322 /nfs/dbraw/zinc/25/23/22/1321252322.db2.gz SOECVIRHTBIZBO-UHFFFAOYSA-N 1 0 338.455 3.110 20 10 EGCDRO CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000841309917 1321252420 /nfs/dbraw/zinc/25/24/20/1321252420.db2.gz BICIQADFPCEQMS-CYBMUJFWSA-N 1 0 343.427 3.393 20 10 EGCDRO C[NH2+]Cc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000841313800 1321253602 /nfs/dbraw/zinc/25/36/02/1321253602.db2.gz SSRZOROOCYNNKI-UHFFFAOYSA-N 1 0 339.439 3.312 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)[C@]12CCCO2 ZINC000841751530 1321306093 /nfs/dbraw/zinc/30/60/93/1321306093.db2.gz HRSFRTRXVKVYNR-GLZXHMCRSA-N 1 0 325.836 3.423 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)[C@]12CCCO2 ZINC000841751532 1321306183 /nfs/dbraw/zinc/30/61/83/1321306183.db2.gz HRSFRTRXVKVYNR-IAOMBJDPSA-N 1 0 325.836 3.423 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)cc1 ZINC000841762827 1321308164 /nfs/dbraw/zinc/30/81/64/1321308164.db2.gz RGVIUCKDIRLPCI-INIZCTEOSA-N 1 0 334.504 3.361 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(N(C)C)CC2)c1O ZINC000841762737 1321308457 /nfs/dbraw/zinc/30/84/57/1321308457.db2.gz KOHRFAQCMNCTJD-NSHDSACASA-N 1 0 327.266 3.208 20 10 EGCDRO CC(C)[NH2+]CCCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841934460 1321331036 /nfs/dbraw/zinc/33/10/36/1321331036.db2.gz WLMXWLITWWTWAY-UHFFFAOYSA-N 1 0 346.519 3.110 20 10 EGCDRO CC(C)[NH2+]CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000841934421 1321331098 /nfs/dbraw/zinc/33/10/98/1321331098.db2.gz UYJMGDHTJAPHPV-UHFFFAOYSA-N 1 0 334.508 3.061 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000841958889 1321332398 /nfs/dbraw/zinc/33/23/98/1321332398.db2.gz MCSIHRWIONELFV-UHFFFAOYSA-N 1 0 346.519 3.206 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000841969499 1321332914 /nfs/dbraw/zinc/33/29/14/1321332914.db2.gz DBOGKVAPXXLEBO-FQEVSTJZSA-N 1 0 346.519 3.064 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000842643122 1321412667 /nfs/dbraw/zinc/41/26/67/1321412667.db2.gz LGSWRENAEQWRAA-PBHICJAKSA-N 1 0 346.471 3.182 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCS[C@@H]2C)c1O ZINC000842778038 1321431242 /nfs/dbraw/zinc/43/12/42/1321431242.db2.gz DJZATBKUICSGHQ-KCJUWKMLSA-N 1 0 332.263 3.147 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(N2CCNC2=O)cc1 ZINC000842900533 1321447872 /nfs/dbraw/zinc/44/78/72/1321447872.db2.gz IBXZAODRKVXCOW-SUMWQHHRSA-N 1 0 337.423 3.260 20 10 EGCDRO Cc1cc(Br)cc(CN2CCCC[C@H]2[C@H](C)[NH3+])c1O ZINC000843044645 1321460614 /nfs/dbraw/zinc/46/06/14/1321460614.db2.gz DLGQGIAQDYZDMF-FZMZJTMJSA-N 1 0 327.266 3.165 20 10 EGCDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843045904 1321460949 /nfs/dbraw/zinc/46/09/49/1321460949.db2.gz LSGRQRFJMJHFCU-NVXWUHKLSA-N 1 0 346.475 3.287 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000843051277 1321461791 /nfs/dbraw/zinc/46/17/91/1321461791.db2.gz GTJBZFUTAPTQJA-FZMZJTMJSA-N 1 0 327.266 3.022 20 10 EGCDRO Cn1c2ccc(CN3CCCc4cc(C[NH3+])ccc43)cc2sc1=O ZINC000843057952 1321463822 /nfs/dbraw/zinc/46/38/22/1321463822.db2.gz IITBWSQEQXYFHQ-UHFFFAOYSA-N 1 0 339.464 3.012 20 10 EGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125919 1321474477 /nfs/dbraw/zinc/47/44/77/1321474477.db2.gz CLNAMJLPXAQSEC-OLZOCXBDSA-N 1 0 326.843 3.396 20 10 EGCDRO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349466 1321503262 /nfs/dbraw/zinc/50/32/62/1321503262.db2.gz ATXJJKQMJPJACY-GFCCVEGCSA-N 1 0 345.393 3.203 20 10 EGCDRO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350788 1321504145 /nfs/dbraw/zinc/50/41/45/1321504145.db2.gz YQFMPJPSAHWLFU-YJBOKZPZSA-N 1 0 329.488 3.078 20 10 EGCDRO COc1cccc(O)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000843416692 1321514147 /nfs/dbraw/zinc/51/41/47/1321514147.db2.gz KNYGJCZJDCWVJP-STQMWFEESA-N 1 0 338.448 3.182 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000843488217 1321522430 /nfs/dbraw/zinc/52/24/30/1321522430.db2.gz UKWPMFDCNXDPBW-GOSISDBHSA-N 1 0 345.874 3.455 20 10 EGCDRO Fc1cc(C[NH2+]Cc2cc3cnccc3o2)ccc1N1CCOCC1 ZINC000845924481 1321754204 /nfs/dbraw/zinc/75/42/04/1321754204.db2.gz LBVDQNWKGHWMGY-UHFFFAOYSA-N 1 0 341.386 3.093 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c1O ZINC000846136034 1321770291 /nfs/dbraw/zinc/77/02/91/1321770291.db2.gz GENFEHOJQAEFSU-GOEBONIOSA-N 1 0 330.428 3.482 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846141427 1321770768 /nfs/dbraw/zinc/77/07/68/1321770768.db2.gz INKROXOMFXNMKV-OAHLLOKOSA-N 1 0 342.439 3.100 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c1O ZINC000846144454 1321771228 /nfs/dbraw/zinc/77/12/28/1321771228.db2.gz DPOGIBMBZDCOCY-JTQLQIEISA-N 1 0 329.322 3.010 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCc3sccc3C2)c1O ZINC000846145265 1321771248 /nfs/dbraw/zinc/77/12/48/1321771248.db2.gz PESCFPYCKOWNML-CYBMUJFWSA-N 1 0 332.469 3.171 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000846146891 1321771620 /nfs/dbraw/zinc/77/16/20/1321771620.db2.gz SMZPMNOPLNWXJO-CHWSQXEVSA-N 1 0 336.432 3.061 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1O ZINC000846150987 1321772313 /nfs/dbraw/zinc/77/23/13/1321772313.db2.gz RBVKFPLQRIKILM-CQSZACIVSA-N 1 0 346.471 3.233 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000846158278 1321772688 /nfs/dbraw/zinc/77/26/88/1321772688.db2.gz WGEJDMQKDCBMLX-QWHCGFSZSA-N 1 0 338.448 3.212 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000846166371 1321774114 /nfs/dbraw/zinc/77/41/14/1321774114.db2.gz XQRYPZWIKKUPLZ-WMLDXEAASA-N 1 0 346.471 3.375 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC/C=C/c2ccccc2)cc1 ZINC000846662957 1321799167 /nfs/dbraw/zinc/79/91/67/1321799167.db2.gz CIQOFPKDGVLFQP-CLOLKSBNSA-N 1 0 337.467 3.362 20 10 EGCDRO CC[N@H+](C)C[C@@H](O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846838855 1321815052 /nfs/dbraw/zinc/81/50/52/1321815052.db2.gz AZINVKVYIZVVKP-FXAWDEMLSA-N 1 0 342.483 3.268 20 10 EGCDRO Cc1cc(C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)ccc1N(C)C ZINC000846932012 1321824946 /nfs/dbraw/zinc/82/49/46/1321824946.db2.gz PUCUYOHPVJYIAP-GOSISDBHSA-N 1 0 326.488 3.420 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000848881817 1322026861 /nfs/dbraw/zinc/02/68/61/1322026861.db2.gz SNHUBVQELQQAPQ-UHFFFAOYSA-N 1 0 334.460 3.444 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c1O ZINC000848915559 1322044752 /nfs/dbraw/zinc/04/47/52/1322044752.db2.gz XLYQQTFTNFEHBR-KZNAEPCWSA-N 1 0 343.471 3.438 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000848924967 1322045718 /nfs/dbraw/zinc/04/57/18/1322045718.db2.gz IYXZXZRKHUDXBA-FQEVSTJZSA-N 1 0 330.472 3.057 20 10 EGCDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000848927204 1322047011 /nfs/dbraw/zinc/04/70/11/1322047011.db2.gz BUKSIWJZOPQOEQ-CQSZACIVSA-N 1 0 345.395 3.031 20 10 EGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849349510 1322116030 /nfs/dbraw/zinc/11/60/30/1322116030.db2.gz BUENSHMYBGZOPD-CYBMUJFWSA-N 1 0 326.843 3.396 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000920445092 1322178458 /nfs/dbraw/zinc/17/84/58/1322178458.db2.gz SAKIOUZDHMMCMC-OAHLLOKOSA-N 1 0 331.485 3.370 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccnc(OC)c2)c(O)c(C(C)(C)C)c1 ZINC000850025261 1322183737 /nfs/dbraw/zinc/18/37/37/1322183737.db2.gz YIKQYMIEBJURKU-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO CCCn1nccc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000850114180 1322193496 /nfs/dbraw/zinc/19/34/96/1322193496.db2.gz BEBGVGHWPYRJIN-UHFFFAOYSA-N 1 0 328.460 3.060 20 10 EGCDRO COc1cc(C[NH2+]CCOc2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000850137348 1322197492 /nfs/dbraw/zinc/19/74/92/1322197492.db2.gz NLZFNCDFKZDZOR-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)c1O ZINC000850355084 1322232483 /nfs/dbraw/zinc/23/24/83/1322232483.db2.gz DDYOCOLMKWLJJJ-CQSZACIVSA-N 1 0 333.350 3.381 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)CCOC4)cc2)CC1 ZINC000850381383 1322235594 /nfs/dbraw/zinc/23/55/94/1322235594.db2.gz DASYRFRBLYWEKM-UHFFFAOYSA-N 1 0 337.467 3.123 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccnc2N2CCCC2)c1O ZINC000850500106 1322257889 /nfs/dbraw/zinc/25/78/89/1322257889.db2.gz CYNDDFSVGGXSBH-AWEZNQCLSA-N 1 0 327.428 3.247 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC000850531057 1322262371 /nfs/dbraw/zinc/26/23/71/1322262371.db2.gz GUUXWGPEVZJWEO-AWEZNQCLSA-N 1 0 325.474 3.099 20 10 EGCDRO CC[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(Cl)ccc1O ZINC000850558432 1322266938 /nfs/dbraw/zinc/26/69/38/1322266938.db2.gz WSTGTZHDWLVWOJ-WBVHZDCISA-N 1 0 338.879 3.340 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1O ZINC000850558089 1322267579 /nfs/dbraw/zinc/26/75/79/1322267579.db2.gz PUBYWGSVDQGONZ-CZUORRHYSA-N 1 0 338.879 3.258 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)c1O ZINC000850558085 1322267637 /nfs/dbraw/zinc/26/76/37/1322267637.db2.gz PUBYWGSVDQGONZ-CJNGLKHVSA-N 1 0 338.879 3.258 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@]2(O)CCCOC2)c2c1c(F)ccc2O ZINC000850563173 1322268677 /nfs/dbraw/zinc/26/86/77/1322268677.db2.gz TZLMMHUPQCJNQP-UHYGZKCKSA-N 1 0 337.435 3.237 20 10 EGCDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565182 1322269992 /nfs/dbraw/zinc/26/99/92/1322269992.db2.gz BYDVLBPBBOYRTG-MRXNPFEDSA-N 1 0 328.456 3.352 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c1 ZINC000850574828 1322270294 /nfs/dbraw/zinc/27/02/94/1322270294.db2.gz KVGORILSJGELIL-HNNXBMFYSA-N 1 0 339.439 3.471 20 10 EGCDRO CN(C)C(=O)c1cccc(C[NH2+]CCCSc2nccs2)c1 ZINC000921754192 1322393013 /nfs/dbraw/zinc/39/30/13/1322393013.db2.gz KMNURJAZOYCZEW-UHFFFAOYSA-N 1 0 335.498 3.117 20 10 EGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759462 1323148193 /nfs/dbraw/zinc/14/81/93/1323148193.db2.gz JRWUXQVOFMPXTF-GFCCVEGCSA-N 1 0 347.434 3.242 20 10 EGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924761355 1323149468 /nfs/dbraw/zinc/14/94/68/1323149468.db2.gz UKBRRBDFGUBKJW-CQSZACIVSA-N 1 0 343.471 3.351 20 10 EGCDRO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924900816 1323205165 /nfs/dbraw/zinc/20/51/65/1323205165.db2.gz PJHACYIMMUKPIA-ZUOKHONESA-N 1 0 342.414 3.116 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1 ZINC000852791993 1323243581 /nfs/dbraw/zinc/24/35/81/1323243581.db2.gz ONTXDCMVLSISTC-ZSYWTGECSA-N 1 0 329.488 3.085 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccc[nH]2)cc1C ZINC001024869592 1323758283 /nfs/dbraw/zinc/75/82/83/1323758283.db2.gz PDEGKUZKFKRXHL-QGZVFWFLSA-N 1 0 341.455 3.116 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1C ZINC001026651452 1324951257 /nfs/dbraw/zinc/95/12/57/1324951257.db2.gz BUWUQQBMOVQBAS-SFHVURJKSA-N 1 0 338.451 3.256 20 10 EGCDRO COc1cc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c(O)cc1C ZINC000853520907 1325113076 /nfs/dbraw/zinc/11/30/76/1325113076.db2.gz OYJHZQQQWQHJMT-UHFFFAOYSA-N 1 0 338.448 3.056 20 10 EGCDRO CC(C)c1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC000853533595 1325117524 /nfs/dbraw/zinc/11/75/24/1325117524.db2.gz JVPIKILORSEHDY-FQEVSTJZSA-N 1 0 339.435 3.500 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)CC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000857003067 1325553264 /nfs/dbraw/zinc/55/32/64/1325553264.db2.gz QAYJZCFTFQEHGA-GOSISDBHSA-N 1 0 343.515 3.319 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000857062313 1325565690 /nfs/dbraw/zinc/56/56/90/1325565690.db2.gz ZYUMTBGGUBNBKS-DOTOQJQBSA-N 1 0 347.459 3.035 20 10 EGCDRO [O-]c1c(Br)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442188 1329487576 /nfs/dbraw/zinc/48/75/76/1329487576.db2.gz BDZISIKEBBNNTR-OCAPTIKFSA-N 1 0 347.050 3.369 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)c1 ZINC000862478641 1329489657 /nfs/dbraw/zinc/48/96/57/1329489657.db2.gz KROMBVGAOPKEER-OAHLLOKOSA-N 1 0 342.439 3.137 20 10 EGCDRO C[C@H]([NH3+])CN(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000863568323 1329563732 /nfs/dbraw/zinc/56/37/32/1329563732.db2.gz JXROZSYLNGINMX-AWEZNQCLSA-N 1 0 325.416 3.320 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](O)C(F)(F)F ZINC000865712279 1329731588 /nfs/dbraw/zinc/73/15/88/1329731588.db2.gz YUJMVSWEGSCADJ-BZNIZROVSA-N 1 0 325.330 3.461 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000865790998 1329738928 /nfs/dbraw/zinc/73/89/28/1329738928.db2.gz FCMKFAICIFSOIG-FZNQNYSPSA-N 1 0 334.460 3.402 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1O ZINC000866435679 1330111980 /nfs/dbraw/zinc/11/19/80/1330111980.db2.gz CTURSHOYAGCMIT-SKDRFNHKSA-N 1 0 348.756 3.400 20 10 EGCDRO C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1O ZINC000868033325 1330242519 /nfs/dbraw/zinc/24/25/19/1330242519.db2.gz YPZHGMOKORENRN-DOMZBBRYSA-N 1 0 333.457 3.117 20 10 EGCDRO CCCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684750 1336010457 /nfs/dbraw/zinc/01/04/57/1336010457.db2.gz IFIXUNOFOSSNDW-CZUORRHYSA-N 1 0 345.447 3.089 20 10 EGCDRO CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674337 1337058726 /nfs/dbraw/zinc/05/87/26/1337058726.db2.gz QRBSJBIQKWRLDH-CZUORRHYSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(C)C)C[C@H]2C)cc1C ZINC001035888347 1343250553 /nfs/dbraw/zinc/25/05/53/1343250553.db2.gz RAEJABOXTMHRQL-AEFFLSMTSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C2CCC2)cc1C ZINC001036920305 1343864324 /nfs/dbraw/zinc/86/43/24/1343864324.db2.gz MWTZFXNWVVNBCU-ROUUACIJSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc[nH]3)[C@H](C)C2)cc1C ZINC001044459241 1346338671 /nfs/dbraw/zinc/33/86/71/1346338671.db2.gz ZOUJQKQFBLGLJO-NVXWUHKLSA-N 1 0 341.455 3.115 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)/C=C(\C)C2CC2)cc1C ZINC001044944544 1346467635 /nfs/dbraw/zinc/46/76/35/1346467635.db2.gz ANNJWOTYNLMKQV-QZEGLACASA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2CC(C)C2)cc1C ZINC001044988598 1346476029 /nfs/dbraw/zinc/47/60/29/1346476029.db2.gz DXPTVRKIFPNFQF-UYJHFMRCSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3=CCCC3)C[C@H]2C)cc1C ZINC001054564571 1349400516 /nfs/dbraw/zinc/40/05/16/1349400516.db2.gz JRFZBXHIIGUVHQ-CRAIPNDOSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3(C4CC4)CC3)C[C@H]2C)cc1C ZINC001054778899 1349459027 /nfs/dbraw/zinc/45/90/27/1349459027.db2.gz UFWOSOZLCFMAIH-QAPCUYQASA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3(F)CCCC3)C[C@H]2C)cc1C ZINC001054823553 1349479379 /nfs/dbraw/zinc/47/93/79/1349479379.db2.gz NRTKGHQEXAMUPB-WBVHZDCISA-N 1 0 348.462 3.222 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1Br ZINC001237676223 1376982392 /nfs/dbraw/zinc/98/23/92/1376982392.db2.gz HHIIGGQZMJDWHD-BLLLJJGKSA-N 1 0 340.261 3.464 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C3CC3)C[C@H]2C)cc1C ZINC001093696628 1361678470 /nfs/dbraw/zinc/67/84/70/1361678470.db2.gz GWBFYAYWAMEFKM-GPMSIDNRSA-N 1 0 344.499 3.234 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C(C)C)C3)cc1C ZINC001099378561 1363780169 /nfs/dbraw/zinc/78/01/69/1363780169.db2.gz QQIBXJBQXGDQPT-RXVVDRJESA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]CC(C)(C)C2CCN(C(C)=O)CC2)cc1C ZINC001101497852 1364582444 /nfs/dbraw/zinc/58/24/44/1364582444.db2.gz ACTIKEJWQQTNRG-UHFFFAOYSA-N 1 0 332.488 3.378 20 10 EGCDRO COCn1ncc(C)c1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC001324704688 1387743606 /nfs/dbraw/zinc/74/36/06/1387743606.db2.gz QUSGGXNCLMWZLT-UHFFFAOYSA-N 1 0 342.487 3.322 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC001324993548 1387873168 /nfs/dbraw/zinc/87/31/68/1387873168.db2.gz RYGXJPHWVZLRJY-FQEVSTJZSA-N 1 0 330.472 3.057 20 10 EGCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)NC1CCCCCC1 ZINC001191284802 1367467275 /nfs/dbraw/zinc/46/72/75/1367467275.db2.gz FDOLHROEDSTDJJ-UHFFFAOYSA-N 1 0 345.487 3.379 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@H](n2cncn2)C1 ZINC001325629939 1388015697 /nfs/dbraw/zinc/01/56/97/1388015697.db2.gz SVMQIFPKTPDTFI-XFQXTVEOSA-N 1 0 339.487 3.180 20 10 EGCDRO CN1C(=O)C2(CC[NH+](Cc3ccccc3O)CC2)[C@@H]1c1ccccc1 ZINC001203552185 1370167104 /nfs/dbraw/zinc/16/71/04/1370167104.db2.gz DHVHRSXWSZTGNK-IBGZPJMESA-N 1 0 336.435 3.188 20 10 EGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001203551299 1370167125 /nfs/dbraw/zinc/16/71/25/1370167125.db2.gz BBFVZXDLXAWSJP-FPOVZHCZSA-N 1 0 338.451 3.399 20 10 EGCDRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1ccccc1O)C2 ZINC001203552961 1370167572 /nfs/dbraw/zinc/16/75/72/1370167572.db2.gz WZZOKDAMDDPHCU-LJQANCHMSA-N 1 0 342.464 3.473 20 10 EGCDRO Oc1ccccc1C[N@@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001203552754 1370167872 /nfs/dbraw/zinc/16/78/72/1370167872.db2.gz SCQLCGHEJSROAU-UHFFFAOYSA-N 1 0 331.419 3.450 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c1O ZINC001203601657 1370183899 /nfs/dbraw/zinc/18/38/99/1370183899.db2.gz FMTSCGGGUGEDNV-MRXNPFEDSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1cccc(C[NH+]2CCC(Oc3ncccc3C)CC2)c1O ZINC001203602042 1370184029 /nfs/dbraw/zinc/18/40/29/1370184029.db2.gz YFOCIOVCSCOPBD-UHFFFAOYSA-N 1 0 328.412 3.148 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(Oc3cccnc3)CC2)c1O ZINC001203608919 1370186965 /nfs/dbraw/zinc/18/69/65/1370186965.db2.gz AUSKYJVJJFBRQH-UHFFFAOYSA-N 1 0 328.412 3.229 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c1O ZINC001203615078 1370188578 /nfs/dbraw/zinc/18/85/78/1370188578.db2.gz LHTMNBXXTUTIAT-OAHLLOKOSA-N 1 0 335.444 3.487 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3ccc(C)c(C)c3)CC2)c(O)c1 ZINC001203617115 1370189300 /nfs/dbraw/zinc/18/93/00/1370189300.db2.gz HRXREXFTADZTTA-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c(O)c1 ZINC001203620355 1370190376 /nfs/dbraw/zinc/19/03/76/1370190376.db2.gz ARYLAIVUQRILOY-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3nccc4ccccc43)CC2)c(O)c1 ZINC001203627808 1370192392 /nfs/dbraw/zinc/19/23/92/1370192392.db2.gz QALKNCJKNIOQJJ-UHFFFAOYSA-N 1 0 349.434 3.271 20 10 EGCDRO CC(C)(C)OC(=O)NCC1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001203651492 1370201278 /nfs/dbraw/zinc/20/12/78/1370201278.db2.gz QAZXZYGVPFLUSY-UHFFFAOYSA-N 1 0 326.824 3.002 20 10 EGCDRO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658785 1370204947 /nfs/dbraw/zinc/20/49/47/1370204947.db2.gz OSXOKUSMCBACLW-IBGZPJMESA-N 1 0 348.874 3.270 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC3(CC[C@H](COC(C)=O)C3)CC2)c1 ZINC001203680811 1370216133 /nfs/dbraw/zinc/21/61/33/1370216133.db2.gz FLZSGMWHIVQZSM-INIZCTEOSA-N 1 0 347.455 3.346 20 10 EGCDRO Oc1ccc(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1O ZINC001203877759 1370296960 /nfs/dbraw/zinc/29/69/60/1370296960.db2.gz IYPCQRYHLPMZLE-MOPGFXCFSA-N 1 0 338.451 3.194 20 10 EGCDRO COc1ccccc1OC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878574 1370297408 /nfs/dbraw/zinc/29/74/08/1370297408.db2.gz CWQAIIMTTLQQLT-UHFFFAOYSA-N 1 0 329.396 3.150 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)cc1 ZINC001203938552 1370322065 /nfs/dbraw/zinc/32/20/65/1370322065.db2.gz FDFVMDMLGJSYEG-IBGZPJMESA-N 1 0 343.515 3.223 20 10 EGCDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N(C)C)c2ccccc12 ZINC001204237099 1370418238 /nfs/dbraw/zinc/41/82/38/1370418238.db2.gz FZRZFDUHDALHHR-JWTNVVGKSA-N 1 0 340.467 3.284 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c2ccccc21 ZINC001204240996 1370418940 /nfs/dbraw/zinc/41/89/40/1370418940.db2.gz QBAHXQFEUMIPKO-KRWDZBQOSA-N 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Cc1ccc(C)n1-c1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001209519431 1372127207 /nfs/dbraw/zinc/12/72/07/1372127207.db2.gz UCQUIEFPUVFOEU-UHFFFAOYSA-N 1 0 347.466 3.206 20 10 EGCDRO C[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC[NH2+]1 ZINC001210498779 1372367181 /nfs/dbraw/zinc/36/71/81/1372367181.db2.gz RSBCHKXCWDUTLP-INIZCTEOSA-N 1 0 326.440 3.155 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC=CCCC2)cc1C ZINC001130159798 1373465138 /nfs/dbraw/zinc/46/51/38/1373465138.db2.gz IHMAMGJVFXLDLO-GOSISDBHSA-N 1 0 330.472 3.346 20 10 EGCDRO COc1ccc([C@@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)cc1OC ZINC001218341605 1373600567 /nfs/dbraw/zinc/60/05/67/1373600567.db2.gz NXFPILHMCDQPQX-OAHLLOKOSA-N 1 0 342.439 3.253 20 10 EGCDRO Cc1ccc(OC[C@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001218357191 1373602793 /nfs/dbraw/zinc/60/27/93/1373602793.db2.gz FZSQIFDSLLXBHP-KRWDZBQOSA-N 1 0 326.440 3.251 20 10 EGCDRO O=C1Nc2ccccc2CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326846417 1388329054 /nfs/dbraw/zinc/32/90/54/1388329054.db2.gz 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COc1ccc(C2=CC[N@H+](Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233487059 1376652518 /nfs/dbraw/zinc/65/25/18/1376652518.db2.gz NTWNDDVNEDFZJQ-UHFFFAOYSA-N 1 0 327.380 3.101 20 10 EGCDRO C[C@]1(CO)CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237053721 1376971438 /nfs/dbraw/zinc/97/14/38/1376971438.db2.gz OTAMAGKKPDJCFK-INIZCTEOSA-N 1 0 347.377 3.318 20 10 EGCDRO Oc1cc(OCC(F)(F)F)ccc1CN1CCc2ncsc2C1 ZINC001237059363 1376974344 /nfs/dbraw/zinc/97/43/44/1376974344.db2.gz MFBKQSHYLASDGL-UHFFFAOYSA-N 1 0 344.358 3.348 20 10 EGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141399 1376976015 /nfs/dbraw/zinc/97/60/15/1376976015.db2.gz WMPHQPDOPNKLTE-MNOVXSKESA-N 1 0 331.334 3.185 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2nccs2)cc1C ZINC001135754759 1377203211 /nfs/dbraw/zinc/20/32/11/1377203211.db2.gz MBGGFZRHGGWRRA-ZIAGYGMSSA-N 1 0 347.484 3.147 20 10 EGCDRO CC[N@H+](CCN1CCCC1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336489 1377704707 /nfs/dbraw/zinc/70/47/07/1377704707.db2.gz BDSAVJZMFMYCBX-UHFFFAOYSA-N 1 0 343.515 3.009 20 10 EGCDRO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138357224 1377708523 /nfs/dbraw/zinc/70/85/23/1377708523.db2.gz OGDSFVWPHUNRQG-UHFFFAOYSA-N 1 0 336.483 3.224 20 10 EGCDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)n1 ZINC001138356444 1377708627 /nfs/dbraw/zinc/70/86/27/1377708627.db2.gz OKDVMJYENDEWIX-KRWDZBQOSA-N 1 0 340.471 3.394 20 10 EGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc2c(c1)CCCN2C ZINC001138358833 1377709403 /nfs/dbraw/zinc/70/94/03/1377709403.db2.gz CPMQOOYKDMAPJK-UHFFFAOYSA-N 1 0 347.503 3.416 20 10 EGCDRO CCN(CC)c1ccc(CN2CCC[C@]2(C)C(=O)OC)c(OC)c1 ZINC001138386146 1377714198 /nfs/dbraw/zinc/71/41/98/1377714198.db2.gz HNHWOXCHWOKJQG-LJQANCHMSA-N 1 0 334.460 3.069 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(OC)c1 ZINC001138391927 1377714657 /nfs/dbraw/zinc/71/46/57/1377714657.db2.gz JOOPBGQXXCPYLU-CRAIPNDOSA-N 1 0 330.472 3.342 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)cc1 ZINC001138711469 1377771484 /nfs/dbraw/zinc/77/14/84/1377771484.db2.gz FSMBTTFLKUANLO-UHFFFAOYSA-N 1 0 338.451 3.342 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cnc4[nH]ccc4c3)CC2)c(C)c1 ZINC001138740390 1377778099 /nfs/dbraw/zinc/77/80/99/1377778099.db2.gz UXAOUTFGQNBUJR-UHFFFAOYSA-N 1 0 336.439 3.202 20 10 EGCDRO COc1ccccc1CN(C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139256757 1377858690 /nfs/dbraw/zinc/85/86/90/1377858690.db2.gz JOBJTOSYTMBKRK-UHFFFAOYSA-N 1 0 344.455 3.103 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(N)c(OC)ccc1OC ZINC001139279784 1377861460 /nfs/dbraw/zinc/86/14/60/1377861460.db2.gz WONNIPLYGNGYCI-UHFFFAOYSA-N 1 0 343.471 3.374 20 10 EGCDRO CCN1C(=O)CCC12CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139671433 1377930927 /nfs/dbraw/zinc/93/09/27/1377930927.db2.gz UVODIGIMXHKHSF-UHFFFAOYSA-N 1 0 329.488 3.038 20 10 EGCDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140056175 1377996968 /nfs/dbraw/zinc/99/69/68/1377996968.db2.gz KQCNJHOBCDBLSW-IUODEOHRSA-N 1 0 338.423 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Cc1ccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(O)c1 ZINC001140948179 1378188765 /nfs/dbraw/zinc/18/87/65/1378188765.db2.gz WWNHIMIKANMGDA-UHFFFAOYSA-N 1 0 332.444 3.190 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@H]1c1ccccc1 ZINC001140954489 1378191771 /nfs/dbraw/zinc/19/17/71/1378191771.db2.gz UIEYJVHZLYVMFA-ZWKOTPCHSA-N 1 0 325.408 3.089 20 10 EGCDRO c1c(CN2CC[N@@H+]3CCCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141076397 1378232815 /nfs/dbraw/zinc/23/28/15/1378232815.db2.gz QOOHQGAIQSCWAV-FQEVSTJZSA-N 1 0 325.500 3.056 20 10 EGCDRO c1c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141074520 1378233051 /nfs/dbraw/zinc/23/30/51/1378233051.db2.gz KQKXXKBGLYAASE-VQTJNVASSA-N 1 0 326.484 3.386 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H]3COCc3ccccc3)ccc21 ZINC001141143003 1378249058 /nfs/dbraw/zinc/24/90/58/1378249058.db2.gz JMLMRSILDOZTNJ-LJQANCHMSA-N 1 0 338.451 3.306 20 10 EGCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141159050 1378253295 /nfs/dbraw/zinc/25/32/95/1378253295.db2.gz XFJPMCSUWIJCRD-GOSISDBHSA-N 1 0 329.396 3.150 20 10 EGCDRO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160176 1378254231 /nfs/dbraw/zinc/25/42/31/1378254231.db2.gz SEVZZEAUHPKLQX-UHFFFAOYSA-N 1 0 325.408 3.221 20 10 EGCDRO O=C(c1ccc(F)cc1F)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159257 1378254883 /nfs/dbraw/zinc/25/48/83/1378254883.db2.gz DSUARLPVQRRDQL-UHFFFAOYSA-N 1 0 347.361 3.471 20 10 EGCDRO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001141160440 1378254925 /nfs/dbraw/zinc/25/49/25/1378254925.db2.gz YNBLFCMYIMSMLY-GOOCMWNKSA-N 1 0 348.443 3.118 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001142524996 1378453618 /nfs/dbraw/zinc/45/36/18/1378453618.db2.gz SJJSFYREOMUXHY-KXBFYZLASA-N 1 0 344.405 3.377 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1O ZINC001143112601 1378542011 /nfs/dbraw/zinc/54/20/11/1378542011.db2.gz WWYOHLBMWZGPJD-OKILXGFUSA-N 1 0 325.399 3.403 20 10 EGCDRO CCOC(=O)c1[nH]ccc1C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001144337587 1378717462 /nfs/dbraw/zinc/71/74/62/1378717462.db2.gz IJGKJOZXYNJKST-UHFFFAOYSA-N 1 0 329.444 3.280 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(COc3ccccc3)CC2)c(O)c1 ZINC001144509261 1378738677 /nfs/dbraw/zinc/73/86/77/1378738677.db2.gz RAPXMSXCDCFFQJ-UHFFFAOYSA-N 1 0 329.396 3.094 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(O)c1 ZINC001144508921 1378738794 /nfs/dbraw/zinc/73/87/94/1378738794.db2.gz DLGWRVRTHSGATQ-UHFFFAOYSA-N 1 0 347.386 3.124 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(Cc3ccccc3F)CC2)c(O)c1 ZINC001144514944 1378739698 /nfs/dbraw/zinc/73/96/98/1378739698.db2.gz YLIFHKROMDAEHV-UHFFFAOYSA-N 1 0 331.387 3.397 20 10 EGCDRO C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146661898 1378892484 /nfs/dbraw/zinc/89/24/84/1378892484.db2.gz DGKDNVRECXMEPU-QWHCGFSZSA-N 1 0 345.447 3.136 20 10 EGCDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)oc1CC ZINC001147986369 1379103309 /nfs/dbraw/zinc/10/33/09/1379103309.db2.gz HYNWQFPMSRFVHV-UHFFFAOYSA-N 1 0 344.455 3.241 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)c2cccc(F)c2)cc1C ZINC001151660534 1379759787 /nfs/dbraw/zinc/75/97/87/1379759787.db2.gz QSEWYAZDNDQYEI-OAHLLOKOSA-N 1 0 344.430 3.152 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C23CCC(CC2)CC3)cc1C ZINC001151858212 1379801528 /nfs/dbraw/zinc/80/15/28/1379801528.db2.gz SHCNFVUSRFVSRF-UHFFFAOYSA-N 1 0 330.472 3.180 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC(C)(C)C2)cc1C ZINC001152837212 1379985519 /nfs/dbraw/zinc/98/55/19/1379985519.db2.gz IRGDUAFQLJXFDV-KRWDZBQOSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C2(C)C(C)(C)C2(C)C)cc1C ZINC001153804967 1380132974 /nfs/dbraw/zinc/13/29/74/1380132974.db2.gz YLFOSUOAIFTPSE-UHFFFAOYSA-N 1 0 332.488 3.282 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN[C@H](F)c3ccnc(Cl)c3)cc2)CC1 ZINC001156655811 1380605202 /nfs/dbraw/zinc/60/52/02/1380605202.db2.gz LLBXGDIVMGIWQO-SFHVURJKSA-N 1 0 348.853 3.245 20 10 EGCDRO COc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(Cl)c1 ZINC001156657630 1380605944 /nfs/dbraw/zinc/60/59/44/1380605944.db2.gz OLGHFFNTEZFKMN-UHFFFAOYSA-N 1 0 346.862 3.108 20 10 EGCDRO Nc1ccc(OCCOc2ccc(NC3=C[NH2+]CCC3)cc2)cc1 ZINC001159782795 1381899126 /nfs/dbraw/zinc/89/91/26/1381899126.db2.gz BKTXGZPLCNAXAR-UHFFFAOYSA-N 1 0 325.412 3.363 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)CC3CC3)CC2)cc1C ZINC001163143304 1382976753 /nfs/dbraw/zinc/97/67/53/1382976753.db2.gz RDZWPZGAZKVFCX-UHFFFAOYSA-N 1 0 330.472 3.180 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@@H]3C)CC2)cc1C ZINC001163265295 1383007997 /nfs/dbraw/zinc/00/79/97/1383007997.db2.gz SMIYUNBNWQVFQS-WMLDXEAASA-N 1 0 330.472 3.036 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001163321633 1383022004 /nfs/dbraw/zinc/02/20/04/1383022004.db2.gz DGDGCDHAQLDVNB-ICSRJNTNSA-N 1 0 325.456 3.417 20 10 EGCDRO CCc1nc2c(nc(C)cc2C)n1Cc1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC001164286400 1383174639 /nfs/dbraw/zinc/17/46/39/1383174639.db2.gz NLRFVILFTBAFCP-KRWDZBQOSA-N 1 0 349.482 3.196 20 10 EGCDRO c1cncc(-c2cccc3c2C2(CN3c3cccnn3)CC[NH2+]CC2)c1 ZINC001166127969 1383393279 /nfs/dbraw/zinc/39/32/79/1383393279.db2.gz QLJZFOHKUHBVNZ-UHFFFAOYSA-N 1 0 343.434 3.312 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(F)F)cn3)cc2)CC1 ZINC001167434672 1383632521 /nfs/dbraw/zinc/63/25/21/1383632521.db2.gz RGSJZFNSUBSNIU-UHFFFAOYSA-N 1 0 332.398 3.383 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cccc(C4COC4)c3)cc2)CC1 ZINC001167434734 1383632872 /nfs/dbraw/zinc/63/28/72/1383632872.db2.gz UWFHTQXVKIUENL-UHFFFAOYSA-N 1 0 337.467 3.164 20 10 EGCDRO CCN(CC)C(=O)C[C@@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001169478148 1384151861 /nfs/dbraw/zinc/15/18/61/1384151861.db2.gz NXUJDEJQNXXOOO-QGZVFWFLSA-N 1 0 331.504 3.366 20 10 EGCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1ccc(C[NH3+])c1)N=[N+]=[N-] ZINC001169716277 1384177339 /nfs/dbraw/zinc/17/73/39/1384177339.db2.gz GPFPURIVESDTBL-NVNXTCNLSA-N 1 0 340.387 3.162 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cnoc2C(C)C)cc1C ZINC001170008909 1384216667 /nfs/dbraw/zinc/21/66/67/1384216667.db2.gz SKQBVFDFSRITFP-UHFFFAOYSA-N 1 0 345.443 3.025 20 10 EGCDRO COCCCN1CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001172247075 1384755543 /nfs/dbraw/zinc/75/55/43/1384755543.db2.gz CIESMHHKLKJMQV-UHFFFAOYSA-N 1 0 328.456 3.136 20 10 EGCDRO CCOCC[C@H](C)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001172421457 1384788138 /nfs/dbraw/zinc/78/81/38/1384788138.db2.gz XOWLHRQVVKRMLJ-VHKYSDTDSA-N 1 0 344.455 3.244 20 10 EGCDRO CC[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001319971346 1386427893 /nfs/dbraw/zinc/42/78/93/1386427893.db2.gz UUPCUSRDGVQXCP-LPHOPBHVSA-N 1 0 331.504 3.442 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC001320086887 1386502789 /nfs/dbraw/zinc/50/27/89/1386502789.db2.gz REZFOFIBJOSNRC-LJQANCHMSA-N 1 0 344.499 3.304 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1 ZINC001320119302 1386524700 /nfs/dbraw/zinc/52/47/00/1386524700.db2.gz ZVBISRXWYUHFDI-INMHGKMJSA-N 1 0 327.424 3.278 20 10 EGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320493584 1386626030 /nfs/dbraw/zinc/62/60/30/1386626030.db2.gz AYQLDOVEJWLGSD-IBGZPJMESA-N 1 0 343.515 3.415 20 10 EGCDRO COc1c(O)c(CN(C)Cc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC001321296065 1386869265 /nfs/dbraw/zinc/86/92/65/1386869265.db2.gz HNNZDAQUKVIGKC-UHFFFAOYSA-N 1 0 338.310 3.219 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C1(C)CC[NH+](C)CC1 ZINC001181994231 1387089018 /nfs/dbraw/zinc/08/90/18/1387089018.db2.gz MTSCXUHZBPIJRU-GOSISDBHSA-N 1 0 344.499 3.481 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC001322869978 1387249902 /nfs/dbraw/zinc/24/99/02/1387249902.db2.gz SOZXWJFCYOAYNG-GOSISDBHSA-N 1 0 345.531 3.032 20 10 EGCDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ccc(N)cc1 ZINC001336284507 1389059262 /nfs/dbraw/zinc/05/92/62/1389059262.db2.gz AFQLJKUJULKWNZ-AWEZNQCLSA-N 1 0 325.412 3.418 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1O ZINC001329511445 1389136529 /nfs/dbraw/zinc/13/65/29/1389136529.db2.gz FSYFIMVZAJCQCB-JSGCOSHPSA-N 1 0 334.851 3.017 20 10 EGCDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(N)cc1)[NH+](C)C ZINC001336890379 1389197624 /nfs/dbraw/zinc/19/76/24/1389197624.db2.gz DTUOPDCTHXNCJV-HNAYVOBHSA-N 1 0 340.471 3.068 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CC[NH3+])cc1 ZINC001341703758 1390519336 /nfs/dbraw/zinc/51/93/36/1390519336.db2.gz OMOHYQGOASIFJE-UHFFFAOYSA-N 1 0 339.483 3.305 20 10 EGCDRO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc(N)cc1 ZINC001335284559 1390666118 /nfs/dbraw/zinc/66/61/18/1390666118.db2.gz DBQWCUJENILLCX-SFHVURJKSA-N 1 0 339.439 3.189 20 10 EGCDRO Fc1cccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001344074755 1390753949 /nfs/dbraw/zinc/75/39/49/1390753949.db2.gz JLMRKMROYIHDIH-UHFFFAOYSA-N 1 0 340.446 3.143 20 10 EGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Br)cc1O ZINC001347392519 1391067369 /nfs/dbraw/zinc/06/73/69/1391067369.db2.gz SYDXUCAIWZTDTG-JTQLQIEISA-N 1 0 344.249 3.365 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)cc2)CC1 ZINC001347825585 1391130965 /nfs/dbraw/zinc/13/09/65/1391130965.db2.gz BVYWVCLYSJTIJN-RXVVDRJESA-N 1 0 344.499 3.303 20 10 EGCDRO COc1ccc(C[NH+]2CCC(Nc3ccccc3)CC2)c(O)c1OC ZINC001351950008 1391723033 /nfs/dbraw/zinc/72/30/33/1391723033.db2.gz WZPMCKBKXWTDDJ-UHFFFAOYSA-N 1 0 342.439 3.486 20 10 EGCDRO COc1cccc(C[N@@H+](Cc2ccc(N)cc2)C[C@@H]2CCCO2)c1 ZINC001352787107 1391848993 /nfs/dbraw/zinc/84/89/93/1391848993.db2.gz CQEHJNLBQQFZHZ-FQEVSTJZSA-N 1 0 326.440 3.459 20 10 EGCDRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c(O)cccc1Cl ZINC000116350467 1126076383 /nfs/dbraw/zinc/07/63/83/1126076383.db2.gz WZXBFAMBNHTVSY-CYBMUJFWSA-N 1 0 330.815 3.220 20 10 EGCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000873191930 1126119932 /nfs/dbraw/zinc/11/99/32/1126119932.db2.gz UVLOWARDSJUBCW-GOSISDBHSA-N 1 0 335.831 3.138 20 10 EGCDRO NC(=O)[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000071792507 203112727 /nfs/dbraw/zinc/11/27/27/203112727.db2.gz PPHHKRWBTWXSGY-FQEVSTJZSA-N 1 0 332.403 3.375 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cccc(Br)c1 ZINC000264595466 455244364 /nfs/dbraw/zinc/24/43/64/455244364.db2.gz HYBXFGGMTQAQOH-MRXNPFEDSA-N 1 0 336.229 3.320 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000184259812 455366852 /nfs/dbraw/zinc/36/68/52/455366852.db2.gz FVIDRPILEODLII-UHFFFAOYSA-N 1 0 339.439 3.089 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000066703852 453864248 /nfs/dbraw/zinc/86/42/48/453864248.db2.gz OBSZIFHSVJVRKS-QGZVFWFLSA-N 1 0 347.503 3.434 20 10 EGCDRO CCOc1cccc(C[NH2+]CCc2ccc(OC)c(OC)c2)c1O ZINC000058679964 454225384 /nfs/dbraw/zinc/22/53/84/454225384.db2.gz IAHOOLGGPNLQHY-UHFFFAOYSA-N 1 0 331.412 3.140 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2cccs2)c1O ZINC000184708886 455433637 /nfs/dbraw/zinc/43/36/37/455433637.db2.gz KVOLEWNGSCPIMH-HNNXBMFYSA-N 1 0 327.833 3.113 20 10 EGCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000132238972 454323244 /nfs/dbraw/zinc/32/32/44/454323244.db2.gz FJBXEYKLVTVYSN-KRWDZBQOSA-N 1 0 340.467 3.425 20 10 EGCDRO COc1ccc(OC)c2c1CN(Cc1c(O)cccc1Cl)C[C@H]2O ZINC000121106868 454391449 /nfs/dbraw/zinc/39/14/49/454391449.db2.gz LAKXBRWQUVAXIH-OAHLLOKOSA-N 1 0 349.814 3.112 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121165407 454401656 /nfs/dbraw/zinc/40/16/56/454401656.db2.gz BMYUXOVVZUWXCM-NSHDSACASA-N 1 0 336.233 3.257 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000184835033 455456637 /nfs/dbraw/zinc/45/66/37/455456637.db2.gz OSDZXUGVILEPCU-FZKQIMNGSA-N 1 0 332.419 3.493 20 10 EGCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1C ZINC000092472248 454571301 /nfs/dbraw/zinc/57/13/01/454571301.db2.gz QFQZKPJCCOTPQT-LJQANCHMSA-N 1 0 329.440 3.019 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1O ZINC000093684162 454729257 /nfs/dbraw/zinc/72/92/57/454729257.db2.gz KZUQXKGUARYQSA-KRWDZBQOSA-N 1 0 327.424 3.440 20 10 EGCDRO COc1cccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1O ZINC000124608758 454752746 /nfs/dbraw/zinc/75/27/46/454752746.db2.gz JGERFFYRQNXDGJ-IBGZPJMESA-N 1 0 327.424 3.346 20 10 EGCDRO CC(C)NC(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176676593 454770745 /nfs/dbraw/zinc/77/07/45/454770745.db2.gz QCOIWGLHPHEMEX-INIZCTEOSA-N 1 0 326.440 3.480 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141394232 454828920 /nfs/dbraw/zinc/82/89/20/454828920.db2.gz DQTXAYHTJAILQI-MRXNPFEDSA-N 1 0 343.496 3.466 20 10 EGCDRO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1O ZINC000109771709 454835250 /nfs/dbraw/zinc/83/52/50/454835250.db2.gz CJEYZPUUJZYHCZ-UHFFFAOYSA-N 1 0 339.439 3.063 20 10 EGCDRO Oc1ccccc1C[N@H+](CCCCCn1cccn1)C[C@@H]1CCCO1 ZINC000109761977 454835643 /nfs/dbraw/zinc/83/56/43/454835643.db2.gz MWYPPJUAGXWRCH-IBGZPJMESA-N 1 0 343.471 3.440 20 10 EGCDRO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1O ZINC000109772125 454835926 /nfs/dbraw/zinc/83/59/26/454835926.db2.gz UEZAYZBAKJSCCL-CYBMUJFWSA-N 1 0 332.831 3.182 20 10 EGCDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163413676 454845730 /nfs/dbraw/zinc/84/57/30/454845730.db2.gz JAGMTDFPRHGPFF-AWEZNQCLSA-N 1 0 346.393 3.057 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc1C ZINC000184899488 455469001 /nfs/dbraw/zinc/46/90/01/455469001.db2.gz PLOBAOJPMYIEGV-HNNXBMFYSA-N 1 0 331.485 3.344 20 10 EGCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000184978908 455480755 /nfs/dbraw/zinc/48/07/55/455480755.db2.gz AGTLAZJRIXJZNC-LLVKDONJSA-N 1 0 338.249 3.470 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c(O)c1 ZINC000154716491 454922761 /nfs/dbraw/zinc/92/27/61/454922761.db2.gz QFMLLRFAIKNOSB-KOSHJBKYSA-N 1 0 347.480 3.390 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000178817608 454981033 /nfs/dbraw/zinc/98/10/33/454981033.db2.gz JUEDQLBAVUHPGD-LJQANCHMSA-N 1 0 325.456 3.239 20 10 EGCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC000179017405 455000166 /nfs/dbraw/zinc/00/01/66/455000166.db2.gz IWYLCJNABRNMSV-GOSISDBHSA-N 1 0 339.483 3.392 20 10 EGCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCC1 ZINC000151671014 455015379 /nfs/dbraw/zinc/01/53/79/455015379.db2.gz FXNDVTXWJJXLBU-AEFFLSMTSA-N 1 0 349.494 3.187 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000171742221 455090939 /nfs/dbraw/zinc/09/09/39/455090939.db2.gz BZQYMRXETADQIY-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1O ZINC000156235744 455096254 /nfs/dbraw/zinc/09/62/54/455096254.db2.gz LIQLMZFCNPPAEO-QGZVFWFLSA-N 1 0 333.453 3.178 20 10 EGCDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152528322 455132220 /nfs/dbraw/zinc/13/22/20/455132220.db2.gz YUZWHMVWZNUZCE-JKSUJKDBSA-N 1 0 338.467 3.112 20 10 EGCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1)CC(F)(F)F ZINC000180225599 455149833 /nfs/dbraw/zinc/14/98/33/455149833.db2.gz DOQQUBQKCIRMHT-LBPRGKRZSA-N 1 0 334.357 3.237 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000189468241 455201462 /nfs/dbraw/zinc/20/14/62/455201462.db2.gz LPFOQUFRQLQLDV-UHFFFAOYSA-N 1 0 346.393 3.155 20 10 EGCDRO Cc1cc(C(=O)N(C)CC2([NH+](C)C)CCC2)c(C)n1-c1ccccn1 ZINC000189527485 455214408 /nfs/dbraw/zinc/21/44/08/455214408.db2.gz USZJEAHOLLTCMF-UHFFFAOYSA-N 1 0 340.471 3.045 20 10 EGCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000184286581 455369049 /nfs/dbraw/zinc/36/90/49/455369049.db2.gz OELNHYPVCOUAKK-HNNXBMFYSA-N 1 0 329.419 3.217 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1C ZINC000174392156 455386224 /nfs/dbraw/zinc/38/62/24/455386224.db2.gz RJYWXHUEPAQQSN-UHFFFAOYSA-N 1 0 327.403 3.367 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000266809961 455455952 /nfs/dbraw/zinc/45/59/52/455455952.db2.gz WEXFKJSIWMVGTC-MRXNPFEDSA-N 1 0 334.508 3.013 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000182207270 455460563 /nfs/dbraw/zinc/46/05/63/455460563.db2.gz SACQKDLRODXTGQ-UHFFFAOYSA-N 1 0 331.387 3.335 20 10 EGCDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185027500 455487517 /nfs/dbraw/zinc/48/75/17/455487517.db2.gz OPVCHDGLPONSJI-ZDUSSCGKSA-N 1 0 328.412 3.001 20 10 EGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185155324 455512257 /nfs/dbraw/zinc/51/22/57/455512257.db2.gz QLMVSMXEAVVKKP-MNOVXSKESA-N 1 0 343.265 3.110 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1O ZINC000185206378 455521870 /nfs/dbraw/zinc/52/18/70/455521870.db2.gz QULXLQUKXKDCKK-FQEVSTJZSA-N 1 0 340.467 3.465 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000185342143 455543994 /nfs/dbraw/zinc/54/39/94/455543994.db2.gz HKYKEKQYEWOSMG-CYBMUJFWSA-N 1 0 338.448 3.308 20 10 EGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185486848 455565241 /nfs/dbraw/zinc/56/52/41/455565241.db2.gz PBOVOMAYSGGVQH-BFUOFWGJSA-N 1 0 331.412 3.102 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c(O)c1 ZINC000185547463 455576416 /nfs/dbraw/zinc/57/64/16/455576416.db2.gz JYXJYUYPWBQKSK-HNNXBMFYSA-N 1 0 326.440 3.296 20 10 EGCDRO C[NH+](C)[C@H]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000277593718 455609670 /nfs/dbraw/zinc/60/96/70/455609670.db2.gz VDWBKTHQESJISM-AWEZNQCLSA-N 1 0 327.266 3.071 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292422802 455659688 /nfs/dbraw/zinc/65/96/88/455659688.db2.gz CCEJUZOTRSJCHQ-LJQANCHMSA-N 1 0 343.496 3.323 20 10 EGCDRO C[C@@H](CC[NH2+][C@@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000185980144 455667710 /nfs/dbraw/zinc/66/77/10/455667710.db2.gz TVMSHKJVCVKWLR-RYUDHWBXSA-N 1 0 326.412 3.485 20 10 EGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000271517923 455668569 /nfs/dbraw/zinc/66/85/69/455668569.db2.gz MRSLNKKZEFOFNW-HIFRSBDPSA-N 1 0 328.250 3.448 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(N2CCOCC2)c(F)c1 ZINC000271534003 455674844 /nfs/dbraw/zinc/67/48/44/455674844.db2.gz RRZWXBGPGFKJHE-DYVFJYSZSA-N 1 0 344.434 3.114 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(N2CCOCC2)c(F)c1 ZINC000271534005 455674937 /nfs/dbraw/zinc/67/49/37/455674937.db2.gz RRZWXBGPGFKJHE-GUYCJALGSA-N 1 0 344.434 3.114 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000271571817 455688147 /nfs/dbraw/zinc/68/81/47/455688147.db2.gz YUKNXYGSGXEQJK-FUHWJXTLSA-N 1 0 330.472 3.276 20 10 EGCDRO Cc1noc(CCC[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000268672749 455711662 /nfs/dbraw/zinc/71/16/62/455711662.db2.gz MDPOBMKMYJHVOM-UHFFFAOYSA-N 1 0 328.460 3.433 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1cc(F)ccc1O ZINC000186195731 455713871 /nfs/dbraw/zinc/71/38/71/455713871.db2.gz BCUHCCKBCSYHBX-KSSFIOAISA-N 1 0 342.414 3.373 20 10 EGCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000268847739 455715275 /nfs/dbraw/zinc/71/52/75/455715275.db2.gz BRILQHUQGXIFNO-HKUYNNGSSA-N 1 0 331.504 3.048 20 10 EGCDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc(O)c1O ZINC000193133500 455744069 /nfs/dbraw/zinc/74/40/69/455744069.db2.gz QWISBCQCNCJLIF-UHFFFAOYSA-N 1 0 348.468 3.144 20 10 EGCDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000271775314 455754518 /nfs/dbraw/zinc/75/45/18/455754518.db2.gz CMFKAJPLJFZYJI-DJJJIMSYSA-N 1 0 331.412 3.275 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)CCCO)c1O ZINC000271807337 455767982 /nfs/dbraw/zinc/76/79/82/455767982.db2.gz KDLVOMIDFDUUFY-UHFFFAOYSA-N 1 0 330.266 3.351 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1O ZINC000271834225 455780898 /nfs/dbraw/zinc/78/08/98/455780898.db2.gz PERYGBXMRHRZCZ-RBUKOAKNSA-N 1 0 327.424 3.025 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(C)nc(N2CCCC2)n1)c1ccccc1O ZINC000293351986 455782875 /nfs/dbraw/zinc/78/28/75/455782875.db2.gz HAIHWDLFQFZXMV-KRWDZBQOSA-N 1 0 326.444 3.332 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000271841929 455784185 /nfs/dbraw/zinc/78/41/85/455784185.db2.gz QKZJUVZRFGPSED-ZBFHGGJFSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186593749 455800928 /nfs/dbraw/zinc/80/09/28/455800928.db2.gz WXKLXFMZVIAEHL-UHFFFAOYSA-N 1 0 329.415 3.409 20 10 EGCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294669661 455824089 /nfs/dbraw/zinc/82/40/89/455824089.db2.gz ALRIYKSXQDNYQC-PEBXRYMYSA-N 1 0 336.526 3.241 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc2)CC1 ZINC000294971479 455834367 /nfs/dbraw/zinc/83/43/67/455834367.db2.gz OCPSFOWJFWLUGX-IBGZPJMESA-N 1 0 334.504 3.141 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cc(C)c(C)cc3O)n2)c1 ZINC000278874059 455851266 /nfs/dbraw/zinc/85/12/66/455851266.db2.gz YVTRKPFFSCADJD-CQSZACIVSA-N 1 0 337.427 3.348 20 10 EGCDRO CCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1ccccc1 ZINC000279661896 455870682 /nfs/dbraw/zinc/87/06/82/455870682.db2.gz MAAQWJDTUINIAQ-KXBFYZLASA-N 1 0 329.396 3.113 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(C)cc1O ZINC000279945324 455878110 /nfs/dbraw/zinc/87/81/10/455878110.db2.gz BLEFWRJFNBRNNN-QGZVFWFLSA-N 1 0 348.468 3.313 20 10 EGCDRO COc1ncccc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279983956 455879594 /nfs/dbraw/zinc/87/95/94/455879594.db2.gz QQAKCOXPQADPSU-UHFFFAOYSA-N 1 0 339.361 3.465 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(C)cc1O ZINC000279954624 455879651 /nfs/dbraw/zinc/87/96/51/455879651.db2.gz BYXSBSKUGRLGBS-GOSISDBHSA-N 1 0 341.455 3.173 20 10 EGCDRO CC[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(C)cc1O ZINC000280097666 455891218 /nfs/dbraw/zinc/89/12/18/455891218.db2.gz MWUGHQDAHYCORA-GOSISDBHSA-N 1 0 332.488 3.386 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)c1c(F)cccc1F ZINC000272251342 455892367 /nfs/dbraw/zinc/89/23/67/455892367.db2.gz CBKZQWLQXWICKH-WMLDXEAASA-N 1 0 325.330 3.411 20 10 EGCDRO CC(C)CO[C@H](C)c1noc(CN(C)Cc2cc(F)ccc2O)n1 ZINC000272252998 455892374 /nfs/dbraw/zinc/89/23/74/455892374.db2.gz CIURNRUEJMRZQF-GFCCVEGCSA-N 1 0 337.395 3.280 20 10 EGCDRO CCCN(Cc1cc(OC)c(OC)cc1O)c1ccc(C[NH3+])cc1 ZINC000194977428 455908515 /nfs/dbraw/zinc/90/85/15/455908515.db2.gz LGPVQHZJCGZSEL-UHFFFAOYSA-N 1 0 330.428 3.285 20 10 EGCDRO C[N@H+](Cc1cc(F)ccc1O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000272324543 455913579 /nfs/dbraw/zinc/91/35/79/455913579.db2.gz UZZHZDYVSQWRLN-UHFFFAOYSA-N 1 0 342.414 3.268 20 10 EGCDRO Cn1cc([C@H]([NH2+]Cc2cc(F)ccc2O)c2ccc(F)cc2)cn1 ZINC000187527185 455920536 /nfs/dbraw/zinc/92/05/36/455920536.db2.gz ZSHLYSHNBJUHLK-GOSISDBHSA-N 1 0 329.350 3.283 20 10 EGCDRO Cc1cccc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000280276116 455934395 /nfs/dbraw/zinc/93/43/95/455934395.db2.gz YECQMCKCAXWZFR-KRWDZBQOSA-N 1 0 325.456 3.120 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000286191316 455997562 /nfs/dbraw/zinc/99/75/62/455997562.db2.gz QVZVKGUHBCXRQL-KRWDZBQOSA-N 1 0 347.434 3.108 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000188109917 455998954 /nfs/dbraw/zinc/99/89/54/455998954.db2.gz QUFVJTWCZZMSOM-LPHOPBHVSA-N 1 0 330.472 3.308 20 10 EGCDRO OC1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000286224682 456003806 /nfs/dbraw/zinc/00/38/06/456003806.db2.gz SNIVCEOTLAJNJU-BBBYJDLNSA-N 1 0 340.414 3.150 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCOCC(F)F)c(C(F)(F)F)c1 ZINC000280705757 456035050 /nfs/dbraw/zinc/03/50/50/456035050.db2.gz WPZJMLDMCGKSTG-UHFFFAOYSA-N 1 0 326.309 3.143 20 10 EGCDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272672311 456035117 /nfs/dbraw/zinc/03/51/17/456035117.db2.gz UBMBDSKOSLKTES-NVXWUHKLSA-N 1 0 347.503 3.488 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000287264925 456065873 /nfs/dbraw/zinc/06/58/73/456065873.db2.gz IQZUJKXAKYIHIX-JKSUJKDBSA-N 1 0 342.439 3.362 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(C)n1-c1ccccc1 ZINC000272796872 456072096 /nfs/dbraw/zinc/07/20/96/456072096.db2.gz ULMGMLWNVSNBGH-INIZCTEOSA-N 1 0 337.467 3.474 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000262984483 456075063 /nfs/dbraw/zinc/07/50/63/456075063.db2.gz ZCBFHFUBMQYRLC-LRDDRELGSA-N 1 0 329.419 3.104 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287770028 456078396 /nfs/dbraw/zinc/07/83/96/456078396.db2.gz RLIQJGLEZDWWNM-IUODEOHRSA-N 1 0 347.286 3.196 20 10 EGCDRO Oc1cc2c(cc1C[N@H+]1CC=C(c3c[nH]c4ncccc34)CC1)OCO2 ZINC000271021492 456100983 /nfs/dbraw/zinc/10/09/83/456100983.db2.gz BDBYLNQPVJVIGJ-UHFFFAOYSA-N 1 0 349.390 3.287 20 10 EGCDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000289541856 456130156 /nfs/dbraw/zinc/13/01/56/456130156.db2.gz WWKYDOAWHBPFBB-CQSZACIVSA-N 1 0 342.439 3.470 20 10 EGCDRO COC[C@@]1(C[NH2+][C@@H](C)c2cc(C)ccc2O)OCCc2ccccc21 ZINC000289609893 456132951 /nfs/dbraw/zinc/13/29/51/456132951.db2.gz CZWZYWBUOBFISF-HRAATJIYSA-N 1 0 341.451 3.466 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000271277141 456202899 /nfs/dbraw/zinc/20/28/99/456202899.db2.gz LDCBFUHEWZKLFU-AWEZNQCLSA-N 1 0 342.443 3.166 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000297421271 456216348 /nfs/dbraw/zinc/21/63/48/456216348.db2.gz USBFWBZPQNMLMJ-UTXMOHQDSA-N 1 0 332.444 3.217 20 10 EGCDRO CCn1cc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)cn1 ZINC000273214872 456217917 /nfs/dbraw/zinc/21/79/17/456217917.db2.gz UKVDKYAMFHIEMG-UHFFFAOYSA-N 1 0 337.423 3.477 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c(O)c1C ZINC000273430406 456230601 /nfs/dbraw/zinc/23/06/01/456230601.db2.gz VLPCJLKSNXBRTB-CVEARBPZSA-N 1 0 326.440 3.365 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1O ZINC000273489436 456235365 /nfs/dbraw/zinc/23/53/65/456235365.db2.gz OAUOLOSIMRZBPI-CXAGYDPISA-N 1 0 344.842 3.497 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc2c(c1)CC(=O)N2C ZINC000273574608 456239276 /nfs/dbraw/zinc/23/92/76/456239276.db2.gz LKFMQNMKOWRAQG-NEPJUHHUSA-N 1 0 328.387 3.462 20 10 EGCDRO C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000290161773 456256480 /nfs/dbraw/zinc/25/64/80/456256480.db2.gz DGGQFWSJCZWOQG-AWEZNQCLSA-N 1 0 347.434 3.108 20 10 EGCDRO CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccccc1O ZINC000274761751 456264489 /nfs/dbraw/zinc/26/44/89/456264489.db2.gz KGTCINNRLYSAQM-WMZOPIPTSA-N 1 0 340.471 3.491 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000291490844 456658806 /nfs/dbraw/zinc/65/88/06/456658806.db2.gz GNKHABRCHWYHEH-BBRMVZONSA-N 1 0 325.836 3.444 20 10 EGCDRO COc1cc(O)c(C[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1OC ZINC000292160542 456872556 /nfs/dbraw/zinc/87/25/56/456872556.db2.gz WDKKBVUKEDKCOO-CYBMUJFWSA-N 1 0 329.396 3.193 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000349353232 456950543 /nfs/dbraw/zinc/95/05/43/456950543.db2.gz INRKGTYCTINVFY-UHFFFAOYSA-N 1 0 342.487 3.018 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000349381717 456958797 /nfs/dbraw/zinc/95/87/97/456958797.db2.gz QRZTWHYJXPCKAN-OAHLLOKOSA-N 1 0 342.487 3.160 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC3([C@@H](O)C(C)C)CC3)CC2)cc1 ZINC000360791306 457354186 /nfs/dbraw/zinc/35/41/86/457354186.db2.gz FHYOIAZJADSSAM-IBGZPJMESA-N 1 0 332.488 3.051 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000378338238 457392084 /nfs/dbraw/zinc/39/20/84/457392084.db2.gz WQCJOFCTVNMQFD-UHFFFAOYSA-N 1 0 330.472 3.315 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)cc1F ZINC000366084066 457791371 /nfs/dbraw/zinc/79/13/71/457791371.db2.gz DYMFDHHKAQSLIJ-HOTGVXAUSA-N 1 0 330.451 3.441 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000371422667 457923802 /nfs/dbraw/zinc/92/38/02/457923802.db2.gz GVGLCYZCOACLPZ-DZGCQCFKSA-N 1 0 340.414 3.414 20 10 EGCDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000368786647 458057359 /nfs/dbraw/zinc/05/73/59/458057359.db2.gz XYFYJCQPLNJZHS-SFHVURJKSA-N 1 0 328.799 3.141 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372129356 458201961 /nfs/dbraw/zinc/20/19/61/458201961.db2.gz WJRVPBUQRSEUSD-UHFFFAOYSA-N 1 0 344.499 3.448 20 10 EGCDRO c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC000376478661 458312873 /nfs/dbraw/zinc/31/28/73/458312873.db2.gz PKOSLBIFOOIZNZ-LJQANCHMSA-N 1 0 338.451 3.007 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1 ZINC000369692562 458318790 /nfs/dbraw/zinc/31/87/90/458318790.db2.gz JQACYPHRJANXDS-UHFFFAOYSA-N 1 0 345.414 3.110 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3NC2=O)c2c1c(F)ccc2O ZINC000528002982 459793254 /nfs/dbraw/zinc/79/32/54/459793254.db2.gz UIIPBHWWCOGJOU-VCTAVGKDSA-N 1 0 326.371 3.233 20 10 EGCDRO COCCC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000529639225 459831555 /nfs/dbraw/zinc/83/15/55/459831555.db2.gz ZFUTUQPPLBIESI-UHFFFAOYSA-N 1 0 328.250 3.403 20 10 EGCDRO CC[NH+](CC)C[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000729681817 574878210 /nfs/dbraw/zinc/87/82/10/574878210.db2.gz KCCRWANAFHKIKE-MRXNPFEDSA-N 1 0 348.491 3.405 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731677918 575199150 /nfs/dbraw/zinc/19/91/50/575199150.db2.gz BWNQCAJGVHWCBJ-LJQANCHMSA-N 1 0 343.427 3.264 20 10 EGCDRO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccccc1O ZINC000731843492 575211801 /nfs/dbraw/zinc/21/18/01/575211801.db2.gz KMABIPBJNSQESX-HNNXBMFYSA-N 1 0 331.416 3.318 20 10 EGCDRO CCCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)Nc1cc(C)on1 ZINC000732919545 575296191 /nfs/dbraw/zinc/29/61/91/575296191.db2.gz KZBRQHPMBWLPDF-INIZCTEOSA-N 1 0 343.427 3.205 20 10 EGCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3c(O)cccc3OC)c2c1 ZINC000733326682 575327974 /nfs/dbraw/zinc/32/79/74/575327974.db2.gz UADCEMPAJZHDRR-UHFFFAOYSA-N 1 0 326.396 3.223 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)cc1F ZINC000733327993 575328139 /nfs/dbraw/zinc/32/81/39/575328139.db2.gz HZOYUBQMHOHWSS-UHFFFAOYSA-N 1 0 347.478 3.163 20 10 EGCDRO O=C(NCc1ccccc1O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000734863481 575565031 /nfs/dbraw/zinc/56/50/31/575565031.db2.gz UWWVFBRLSFQWFP-KRWDZBQOSA-N 1 0 342.414 3.060 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2CCC(C)CC2)cc1 ZINC000741676267 576710392 /nfs/dbraw/zinc/71/03/92/576710392.db2.gz JRMULHUWWYEZCB-UHFFFAOYSA-N 1 0 331.504 3.223 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741718783 576712978 /nfs/dbraw/zinc/71/29/78/576712978.db2.gz CSUNBHSHNNHLBX-GOSISDBHSA-N 1 0 343.446 3.399 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000742371923 576774897 /nfs/dbraw/zinc/77/48/97/576774897.db2.gz CEHAFGDWUVCIMM-CQSZACIVSA-N 1 0 343.431 3.169 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000744800376 576834791 /nfs/dbraw/zinc/83/47/91/576834791.db2.gz VTLFYAGTGLIMIK-ZDUSSCGKSA-N 1 0 331.485 3.227 20 10 EGCDRO C[C@@](CO)([NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000691430870 1298134445 /nfs/dbraw/zinc/13/44/45/1298134445.db2.gz UGCGHVAFVATFKZ-INIZCTEOSA-N 1 0 336.229 3.152 20 10 EGCDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000701175427 1298183962 /nfs/dbraw/zinc/18/39/62/1298183962.db2.gz QJBAPTIPRIILQU-AWEZNQCLSA-N 1 0 327.266 3.071 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CCO)C2CC2)c1O ZINC000779031510 1304520262 /nfs/dbraw/zinc/52/02/62/1304520262.db2.gz IOEWHGJXURVGGX-IINYFYTJSA-N 1 0 328.250 3.275 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(CC3CC3)C2)c(C(F)(F)F)c1 ZINC000792973768 1309273544 /nfs/dbraw/zinc/27/35/44/1309273544.db2.gz HSGSXSWEUYYMSX-OAHLLOKOSA-N 1 0 341.421 3.345 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068478582 1292203639 /nfs/dbraw/zinc/20/36/39/1292203639.db2.gz SPBNTHQBRLXYLS-KRWDZBQOSA-N 1 0 339.483 3.440 20 10 EGCDRO CC[N@H+](CCOc1ccccc1OC)Cc1c(O)cccc1OC ZINC000827762562 1292367973 /nfs/dbraw/zinc/36/79/73/1292367973.db2.gz NPOXWZLZWOSHQO-UHFFFAOYSA-N 1 0 331.412 3.310 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(C3CCCCC3)C(=O)O2)c1 ZINC000828155491 1292437242 /nfs/dbraw/zinc/43/72/42/1292437242.db2.gz OCPZRIPLURSDFH-CJNGLKHVSA-N 1 0 348.443 3.205 20 10 EGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000828569361 1292476032 /nfs/dbraw/zinc/47/60/32/1292476032.db2.gz NREJGTBUHXGSFT-QZTJIDSGSA-N 1 0 345.531 3.216 20 10 EGCDRO Cc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1N1CCCCC1 ZINC000829376913 1292567945 /nfs/dbraw/zinc/56/79/45/1292567945.db2.gz PCUFVJGGGIUPSN-WIYYLYMNSA-N 1 0 344.499 3.365 20 10 EGCDRO CCC(CC)(CCO)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000829510346 1292580602 /nfs/dbraw/zinc/58/06/02/1292580602.db2.gz DRUYALXZLLIHEM-UHFFFAOYSA-N 1 0 334.504 3.333 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000829973317 1292649442 /nfs/dbraw/zinc/64/94/42/1292649442.db2.gz CHZHAQHTVVAPHT-QGZVFWFLSA-N 1 0 338.442 3.435 20 10 EGCDRO [NH3+]CCCCCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000831257167 1292834600 /nfs/dbraw/zinc/83/46/00/1292834600.db2.gz QWXUOMOUVJHLCT-UHFFFAOYSA-N 1 0 345.443 3.216 20 10 EGCDRO COc1cccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c1O ZINC000093529952 1292923573 /nfs/dbraw/zinc/92/35/73/1292923573.db2.gz RQMBUEZCXCRNJN-SFHVURJKSA-N 1 0 329.440 3.420 20 10 EGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000093605244 1292926152 /nfs/dbraw/zinc/92/61/52/1292926152.db2.gz QCQYPAWGPYOPNJ-OALUTQOASA-N 1 0 332.488 3.159 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2CSC)c1O ZINC000093760761 1292930625 /nfs/dbraw/zinc/93/06/25/1292930625.db2.gz ROASZIZWUCFPKW-LBPRGKRZSA-N 1 0 346.290 3.491 20 10 EGCDRO CC(C)[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832266652 1292978350 /nfs/dbraw/zinc/97/83/50/1292978350.db2.gz HRMXXYCYGVPLQZ-WOJBJXKFSA-N 1 0 339.483 3.308 20 10 EGCDRO Cc1cccc2c(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)coc21 ZINC000832266000 1292978656 /nfs/dbraw/zinc/97/86/56/1292978656.db2.gz CINHUYJUKMZLIM-GOSISDBHSA-N 1 0 337.423 3.237 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](c2ccccc2)C2CC2)cc1 ZINC000832267474 1292979649 /nfs/dbraw/zinc/97/96/49/1292979649.db2.gz SWORDCJHLAFIKH-UXHICEINSA-N 1 0 337.467 3.062 20 10 EGCDRO Cc1cc(Cl)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000832284018 1292982323 /nfs/dbraw/zinc/98/23/23/1292982323.db2.gz GDMAMJGDMCNZNY-SFHVURJKSA-N 1 0 345.874 3.453 20 10 EGCDRO CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832293288 1292983396 /nfs/dbraw/zinc/98/33/96/1292983396.db2.gz UCIHGLSOYDFJDV-RBUKOAKNSA-N 1 0 325.456 3.062 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2ccccc2Cl)cc1 ZINC000832292175 1292983636 /nfs/dbraw/zinc/98/36/36/1292983636.db2.gz BZVLSJHUCBZHCW-SFHVURJKSA-N 1 0 345.874 3.155 20 10 EGCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[NH+](C)C ZINC000108453913 1293081148 /nfs/dbraw/zinc/08/11/48/1293081148.db2.gz BUUJYWAGOMRRHB-IBGZPJMESA-N 1 0 331.504 3.125 20 10 EGCDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1c1ccccc1Cl ZINC000834645879 1293126978 /nfs/dbraw/zinc/12/69/78/1293126978.db2.gz PLYXCVHECZCSLG-CABCVRRESA-N 1 0 342.826 3.428 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)CC2 ZINC000834692477 1293132552 /nfs/dbraw/zinc/13/25/52/1293132552.db2.gz CDJUZDMKPSWJMQ-GFCCVEGCSA-N 1 0 338.329 3.462 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)CC2 ZINC000834681044 1293132887 /nfs/dbraw/zinc/13/28/87/1293132887.db2.gz UQWVJWSXKBBBIW-ZDUSSCGKSA-N 1 0 338.329 3.462 20 10 EGCDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000113316781 1293146251 /nfs/dbraw/zinc/14/62/51/1293146251.db2.gz OZWMWBZRXQUASU-CHWSQXEVSA-N 1 0 326.868 3.023 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1F ZINC000113312438 1293146365 /nfs/dbraw/zinc/14/63/65/1293146365.db2.gz XVHBXKFAJXHBAR-SFHVURJKSA-N 1 0 331.435 3.411 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC000834883968 1293163895 /nfs/dbraw/zinc/16/38/95/1293163895.db2.gz SWDPZRNOJPSHDI-CQSZACIVSA-N 1 0 333.453 3.263 20 10 EGCDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000834891913 1293165343 /nfs/dbraw/zinc/16/53/43/1293165343.db2.gz TUCSTMQDIJRMES-HOCLYGCPSA-N 1 0 333.451 3.087 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c2c1c(F)ccc2O ZINC000834900513 1293170253 /nfs/dbraw/zinc/17/02/53/1293170253.db2.gz UEVBKPMFXAYBJL-WOKLECCJSA-N 1 0 345.418 3.323 20 10 EGCDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834903565 1293171265 /nfs/dbraw/zinc/17/12/65/1293171265.db2.gz KTTBYRDWCBIGJU-HZPDHXFCSA-N 1 0 336.451 3.130 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(N(C)C)cc1 ZINC000834911777 1293173995 /nfs/dbraw/zinc/17/39/95/1293173995.db2.gz KCSGNHIMIOIFOY-QILLFSRXSA-N 1 0 328.460 3.057 20 10 EGCDRO CC[C@H]1CC(=O)N(CN(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000119159920 1293257696 /nfs/dbraw/zinc/25/76/96/1293257696.db2.gz PKLHGWQGMRTXEM-KRWDZBQOSA-N 1 0 329.488 3.325 20 10 EGCDRO COc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCOC2)c1O ZINC000119718204 1293285667 /nfs/dbraw/zinc/28/56/67/1293285667.db2.gz KDJTWDUXZWEIBZ-LLVKDONJSA-N 1 0 344.249 3.022 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1O ZINC000121103137 1293355771 /nfs/dbraw/zinc/35/57/71/1293355771.db2.gz BNUVGTZLHYRCEN-LBPRGKRZSA-N 1 0 338.329 3.489 20 10 EGCDRO CC(C)(C)C(=O)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000128287212 1293588589 /nfs/dbraw/zinc/58/85/89/1293588589.db2.gz YCUKYGWDFZUUJH-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO CC[C@@H](COC)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130098774 1293644694 /nfs/dbraw/zinc/64/46/94/1293644694.db2.gz LHBXOPNZFAINDK-UONOGXRCSA-N 1 0 328.403 3.271 20 10 EGCDRO C[C@H]([NH2+]CCc1cccnc1)c1ccc(N2CCOCC2)cc1Cl ZINC000133473975 1293745161 /nfs/dbraw/zinc/74/51/61/1293745161.db2.gz POTZEKVDCHTTQY-HNNXBMFYSA-N 1 0 345.874 3.465 20 10 EGCDRO COc1ccc2ccc(O)c(CN(C)CC(=O)OC(C)(C)C)c2c1 ZINC000152133953 1293955141 /nfs/dbraw/zinc/95/51/41/1293955141.db2.gz KEFZBVOGQXNBFJ-UHFFFAOYSA-N 1 0 331.412 3.328 20 10 EGCDRO CCOc1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000160187899 1294262069 /nfs/dbraw/zinc/26/20/69/1294262069.db2.gz OTTPYOUVPXVNPT-SFHVURJKSA-N 1 0 342.439 3.367 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000161403427 1294291364 /nfs/dbraw/zinc/29/13/64/1294291364.db2.gz OSUSQKHKLMETIM-JKSUJKDBSA-N 1 0 329.419 3.233 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000161540430 1294295026 /nfs/dbraw/zinc/29/50/26/1294295026.db2.gz NBIXPGHJMGSUEM-CQSZACIVSA-N 1 0 348.487 3.336 20 10 EGCDRO COC1CCN(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000163620168 1294336948 /nfs/dbraw/zinc/33/69/48/1294336948.db2.gz BMPZYAHAHGMUBK-SFHVURJKSA-N 1 0 345.531 3.438 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000164022058 1294342435 /nfs/dbraw/zinc/34/24/35/1294342435.db2.gz MQTSTDSAYJETRX-OAHLLOKOSA-N 1 0 344.499 3.480 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164407248 1294348221 /nfs/dbraw/zinc/34/82/21/1294348221.db2.gz IFWXIXDOPXJQCK-MRXNPFEDSA-N 1 0 330.472 3.144 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000170728643 1294379855 /nfs/dbraw/zinc/37/98/55/1294379855.db2.gz ZHSYLOSZJKWJSC-OAHLLOKOSA-N 1 0 332.488 3.476 20 10 EGCDRO Cc1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1O ZINC000179762352 1294822362 /nfs/dbraw/zinc/82/23/62/1294822362.db2.gz BBMIYLLEXNILKG-UHFFFAOYSA-N 1 0 325.387 3.034 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C)c1 ZINC000182334643 1295037297 /nfs/dbraw/zinc/03/72/97/1295037297.db2.gz HSDLLPGYODLUCO-AWEZNQCLSA-N 1 0 328.412 3.389 20 10 EGCDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182413842 1295045799 /nfs/dbraw/zinc/04/57/99/1295045799.db2.gz FFQHHPLFFUOMFB-CYBMUJFWSA-N 1 0 344.411 3.089 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c(O)c1 ZINC000184858545 1295224399 /nfs/dbraw/zinc/22/43/99/1295224399.db2.gz SXDNPIUDPCXQSZ-QGZVFWFLSA-N 1 0 332.488 3.386 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000184858393 1295224431 /nfs/dbraw/zinc/22/44/31/1295224431.db2.gz RPLVDSODNVRNGA-KRWDZBQOSA-N 1 0 332.488 3.386 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)c1 ZINC000184974243 1295232782 /nfs/dbraw/zinc/23/27/82/1295232782.db2.gz QQLPNSXNXXMWCU-AWEZNQCLSA-N 1 0 332.469 3.341 20 10 EGCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000185191713 1295246569 /nfs/dbraw/zinc/24/65/69/1295246569.db2.gz RWYGYMXEMWSYLE-VQTJNVASSA-N 1 0 332.488 3.207 20 10 EGCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OC)c1O)CCO2 ZINC000187545690 1295399526 /nfs/dbraw/zinc/39/95/26/1295399526.db2.gz SQRFCBYZMMFZTP-MRXNPFEDSA-N 1 0 329.396 3.413 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1Oc1ccccc1 ZINC000187636036 1295405120 /nfs/dbraw/zinc/40/51/20/1295405120.db2.gz RDKQORNINOJWMK-UHOSZYNNSA-N 1 0 331.387 3.246 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189622414 1295533874 /nfs/dbraw/zinc/53/38/74/1295533874.db2.gz XMUWBLORIFMAQC-CZUORRHYSA-N 1 0 347.377 3.364 20 10 EGCDRO O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC[C@@H](C(F)(F)F)C1 ZINC000189626399 1295535546 /nfs/dbraw/zinc/53/55/46/1295535546.db2.gz WORQFYGHHDKWRA-ZBFHGGJFSA-N 1 0 329.362 3.195 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@](C)(C(=O)OC)c2ccccc2)c1O ZINC000191581190 1295694858 /nfs/dbraw/zinc/69/48/58/1295694858.db2.gz GICLJDXLPZTDBS-HXUWFJFHSA-N 1 0 343.423 3.011 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)cc1F ZINC000192529342 1295774193 /nfs/dbraw/zinc/77/41/93/1295774193.db2.gz CNXIGMOXSYRSBC-FQEVSTJZSA-N 1 0 343.446 3.162 20 10 EGCDRO COCCO[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000193418261 1295864911 /nfs/dbraw/zinc/86/49/11/1295864911.db2.gz NUQNQCLKTIOVKU-QGZVFWFLSA-N 1 0 345.439 3.181 20 10 EGCDRO CCOC(=O)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000194841672 1296015279 /nfs/dbraw/zinc/01/52/79/1296015279.db2.gz OPIQCJWREFOUMV-UHFFFAOYSA-N 1 0 328.412 3.210 20 10 EGCDRO CC(C)N(CC[NH2+]Cc1cc(Br)ccc1O)C(C)C ZINC000227434679 1296143853 /nfs/dbraw/zinc/14/38/53/1296143853.db2.gz GRKPLIHXUASDEG-UHFFFAOYSA-N 1 0 329.282 3.363 20 10 EGCDRO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3[O-])CC[C@H]21 ZINC000228183409 1296150555 /nfs/dbraw/zinc/15/05/55/1296150555.db2.gz MLYBDRGLZBETHT-IUODEOHRSA-N 1 0 339.277 3.071 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)N(CC)CC)c1cc(Br)ccc1O ZINC000228792896 1296154981 /nfs/dbraw/zinc/15/49/81/1296154981.db2.gz GNKGDYVGCNOVPK-ZDUSSCGKSA-N 1 0 343.265 3.064 20 10 EGCDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000237685793 1296258910 /nfs/dbraw/zinc/25/89/10/1296258910.db2.gz XLTRHGFLKCHOOS-UHFFFAOYSA-N 1 0 331.847 3.183 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246838498 1296373015 /nfs/dbraw/zinc/37/30/15/1296373015.db2.gz KJAOYSNDUKCBRU-GDBMZVCRSA-N 1 0 337.485 3.102 20 10 EGCDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000261876841 1296607583 /nfs/dbraw/zinc/60/75/83/1296607583.db2.gz TTXHSUFKZRFYAE-WMLDXEAASA-N 1 0 325.456 3.212 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(O)c1F ZINC000872088202 1296727181 /nfs/dbraw/zinc/72/71/81/1296727181.db2.gz LSVFUTIJBNBGKH-CQSZACIVSA-N 1 0 344.430 3.343 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1O ZINC000872128975 1296752619 /nfs/dbraw/zinc/75/26/19/1296752619.db2.gz PMMHFZDIXSAHGA-WFASDCNBSA-N 1 0 335.831 3.308 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000305771717 1297048302 /nfs/dbraw/zinc/04/83/02/1297048302.db2.gz RQCXBKPAQIFTDZ-IIAWOOMASA-N 1 0 338.879 3.131 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)NC)cc2)cc1C ZINC000873010378 1297221696 /nfs/dbraw/zinc/22/16/96/1297221696.db2.gz KHBGJTRAFOXPLX-UHFFFAOYSA-N 1 0 326.440 3.433 20 10 EGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)OC ZINC000873129764 1297287223 /nfs/dbraw/zinc/28/72/23/1297287223.db2.gz STKICELWTRFXRE-DNVCBOLYSA-N 1 0 331.460 3.091 20 10 EGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)OC ZINC000873129766 1297287377 /nfs/dbraw/zinc/28/73/77/1297287377.db2.gz STKICELWTRFXRE-KXBFYZLASA-N 1 0 331.460 3.091 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000378909721 1297526949 /nfs/dbraw/zinc/52/69/49/1297526949.db2.gz HSXJLBMQGQSBTM-QGZVFWFLSA-N 1 0 345.487 3.386 20 10 EGCDRO Nc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397593307 1297701268 /nfs/dbraw/zinc/70/12/68/1297701268.db2.gz NVJOZEMYNZKZAM-UHFFFAOYSA-N 1 0 338.455 3.303 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000398144243 1297715367 /nfs/dbraw/zinc/71/53/67/1297715367.db2.gz NJHLYWUHULYRPF-HNAYVOBHSA-N 1 0 338.455 3.301 20 10 EGCDRO COc1ccc(O)c(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000405925469 1297765746 /nfs/dbraw/zinc/76/57/46/1297765746.db2.gz ARCNXHBPXMVZGE-UHFFFAOYSA-N 1 0 338.448 3.184 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(Oc3cccc(F)c3)CC1)OCO2 ZINC000529638137 1297991977 /nfs/dbraw/zinc/99/19/77/1297991977.db2.gz ZYRAZPXUBRLPHG-UHFFFAOYSA-N 1 0 345.370 3.303 20 10 EGCDRO CO[C@](C)(C[NH2+]Cc1cccc(C)c1O)COCc1ccccc1 ZINC000702844398 1298197569 /nfs/dbraw/zinc/19/75/69/1298197569.db2.gz IPJUUMYQBILQKM-HXUWFJFHSA-N 1 0 329.440 3.412 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000706847053 1298224018 /nfs/dbraw/zinc/22/40/18/1298224018.db2.gz VAVKGSCWZFOWSI-LBPRGKRZSA-N 1 0 334.213 3.248 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000715089425 1298276917 /nfs/dbraw/zinc/27/69/17/1298276917.db2.gz FXEYYJPDTHPBBQ-BPLDGKMQSA-N 1 0 332.444 3.272 20 10 EGCDRO C[NH+](C)[C@H]1CCC[C@H](NCc2c(O)cccc2Br)C1 ZINC000715542429 1298280211 /nfs/dbraw/zinc/28/02/11/1298280211.db2.gz LDHHIRBEGPOSCH-RYUDHWBXSA-N 1 0 327.266 3.117 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000724951457 1298350812 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C[C@@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000875573263 1298393607 /nfs/dbraw/zinc/39/36/07/1298393607.db2.gz JNRVZBJWXMJKKW-ZRGWGRIASA-N 1 0 341.455 3.444 20 10 EGCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000746238078 1298555948 /nfs/dbraw/zinc/55/59/48/1298555948.db2.gz SPHZEVVILAAGOH-ROUUACIJSA-N 1 0 343.515 3.412 20 10 EGCDRO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C)cc1O ZINC000876536483 1298811819 /nfs/dbraw/zinc/81/18/19/1298811819.db2.gz PZHBLDUUFVTVMY-UHFFFAOYSA-N 1 0 328.412 3.170 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(O)c1 ZINC000876569864 1298834976 /nfs/dbraw/zinc/83/49/76/1298834976.db2.gz YHKJJYHSSOCZID-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000876585132 1298849454 /nfs/dbraw/zinc/84/94/54/1298849454.db2.gz ZMDJXAQEPGDZFJ-UHFFFAOYSA-N 1 0 334.460 3.437 20 10 EGCDRO CC[NH+]1CCN(c2ccc(NCc3ccc(C)cc3O)cc2)CC1 ZINC000876820570 1299012504 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C[C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)c2c1c(F)ccc2O ZINC000768284191 1302872788 /nfs/dbraw/zinc/87/27/88/1302872788.db2.gz BDRMKJHIXUYOJC-MFKMUULPSA-N 1 0 333.432 3.214 20 10 EGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1C2CC3CC(C2)CC1C3 ZINC000768439415 1302901202 /nfs/dbraw/zinc/90/12/02/1302901202.db2.gz LNAAGIGNPLEXRC-VOXQOMFCSA-N 1 0 329.440 3.075 20 10 EGCDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440801 1302902738 /nfs/dbraw/zinc/90/27/38/1302902738.db2.gz DZISTFYZRODGCH-INIZCTEOSA-N 1 0 349.814 3.112 20 10 EGCDRO Cc1ccccc1OCCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768443194 1302903574 /nfs/dbraw/zinc/90/35/74/1302903574.db2.gz RGJKIBCFSGDRTI-GOSISDBHSA-N 1 0 343.423 3.027 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](C1CC1)[C@H]1CCc3ccccc31)[C@@H](O)CO2 ZINC000768444980 1302907561 /nfs/dbraw/zinc/90/75/61/1302907561.db2.gz ZVXPNTPMUDXGIP-ICSRJNTNSA-N 1 0 337.419 3.470 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(O)c1 ZINC000768529394 1302925543 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CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000788604526 1305980212 /nfs/dbraw/zinc/98/02/12/1305980212.db2.gz CERGMGYCFWGTNI-HZMBPMFUSA-N 1 0 329.375 3.223 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCN(c3ccccc3F)C[C@@H]2C)c1 ZINC000789590099 1306188377 /nfs/dbraw/zinc/18/83/77/1306188377.db2.gz QQAPDRRQZKTICP-AWEZNQCLSA-N 1 0 330.403 3.251 20 10 EGCDRO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(F)cc(F)c1[O-] ZINC000894061792 1306197317 /nfs/dbraw/zinc/19/73/17/1306197317.db2.gz LJZSPNFHVFYRBG-JOCHJYFZSA-N 1 0 325.380 3.040 20 10 EGCDRO C[N@H+](CCCCCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000789764545 1306212062 /nfs/dbraw/zinc/21/20/62/1306212062.db2.gz YWMXDBINUYDQST-UHFFFAOYSA-N 1 0 335.448 3.180 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)c(O)c1OC ZINC000894119484 1306229711 /nfs/dbraw/zinc/22/97/11/1306229711.db2.gz GRIIYGOAFDRHGR-ZWKOTPCHSA-N 1 0 345.439 3.257 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c1O ZINC000894221875 1306286528 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EGCDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793042043 1309286294 /nfs/dbraw/zinc/28/62/94/1309286294.db2.gz FGNFSOOTCLYGSM-RYUDHWBXSA-N 1 0 345.409 3.164 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000793610762 1309416913 /nfs/dbraw/zinc/41/69/13/1309416913.db2.gz OXIDJYLWGKGGBE-MAUKXSAKSA-N 1 0 327.424 3.211 20 10 EGCDRO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000795913265 1309860245 /nfs/dbraw/zinc/86/02/45/1309860245.db2.gz SHKGLDJQPXJWJF-UHFFFAOYSA-N 1 0 331.799 3.351 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000796771658 1310083587 /nfs/dbraw/zinc/08/35/87/1310083587.db2.gz LYIGCMJWEJYFOB-CQSZACIVSA-N 1 0 339.439 3.243 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1C ZINC000797420538 1310186992 /nfs/dbraw/zinc/18/69/92/1310186992.db2.gz SATZJBHRMSSKSO-KRWDZBQOSA-N 1 0 338.451 3.494 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1C ZINC000797420539 1310187254 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CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C[C@@H]1C ZINC000824815680 1320287787 /nfs/dbraw/zinc/28/77/87/1320287787.db2.gz WREBUQHJYKGIIP-SMDDNHRTSA-N 1 0 328.250 3.320 20 10 EGCDRO COCC1(CC[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000826011194 1320378286 /nfs/dbraw/zinc/37/82/86/1320378286.db2.gz AKBMPVAKGKMACV-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000826019663 1320378814 /nfs/dbraw/zinc/37/88/14/1320378814.db2.gz IRJCQXURGSKVJD-HXUWFJFHSA-N 1 0 339.483 3.061 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000839182943 1320887698 /nfs/dbraw/zinc/88/76/98/1320887698.db2.gz SBTJVNPGZXULEH-CYBMUJFWSA-N 1 0 341.293 3.285 20 10 EGCDRO CCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000857758572 1328594449 /nfs/dbraw/zinc/59/44/49/1328594449.db2.gz KZYUQJYQVHWUEE-QGZVFWFLSA-N 1 0 331.504 3.414 20 10 EGCDRO c1[nH]nc2cccc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)c12 ZINC000858100708 1328681874 /nfs/dbraw/zinc/68/18/74/1328681874.db2.gz WZUPOWOEGZIJAW-UHFFFAOYSA-N 1 0 338.480 3.406 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000858118666 1328687551 /nfs/dbraw/zinc/68/75/51/1328687551.db2.gz FLVYFNSRTJCBMR-UHFFFAOYSA-N 1 0 341.455 3.022 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000858137492 1328692758 /nfs/dbraw/zinc/69/27/58/1328692758.db2.gz RWLJNKYPAFUAIC-INIZCTEOSA-N 1 0 336.229 3.152 20 10 EGCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000805776584 1317424496 /nfs/dbraw/zinc/42/44/96/1317424496.db2.gz RNGYEVWGNTXBPI-GOSISDBHSA-N 1 0 333.476 3.243 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000806132467 1317462904 /nfs/dbraw/zinc/46/29/04/1317462904.db2.gz WQSYGYQQWRQVHV-PBHICJAKSA-N 1 0 339.911 3.112 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806179116 1317469729 /nfs/dbraw/zinc/46/97/29/1317469729.db2.gz PFZCZJJPOGNRFM-CABCVRRESA-N 1 0 338.492 3.456 20 10 EGCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000806615605 1317513445 /nfs/dbraw/zinc/51/34/45/1317513445.db2.gz QXIOHICGGLPDAC-INIZCTEOSA-N 1 0 346.519 3.205 20 10 EGCDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807141752 1317553119 /nfs/dbraw/zinc/55/31/19/1317553119.db2.gz VIUYVVLKLPGNNK-FRQCXROJSA-N 1 0 344.503 3.082 20 10 EGCDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000903056943 1317643640 /nfs/dbraw/zinc/64/36/40/1317643640.db2.gz VOYSYZZTRZNRBE-XLIONFOSSA-N 1 0 332.488 3.085 20 10 EGCDRO Cc1cncc([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903447818 1317701374 /nfs/dbraw/zinc/70/13/74/1317701374.db2.gz CVOSCMKPFDVVPL-OXQOHEQNSA-N 1 0 326.488 3.410 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H](O)c3ccccc3)CC2)cc1 ZINC000808719086 1317721861 /nfs/dbraw/zinc/72/18/61/1317721861.db2.gz CQUUMCHDRQARHS-KKSFZXQISA-N 1 0 340.467 3.376 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)c(C)c3O)[C@@H]2C1 ZINC000808723708 1317723429 /nfs/dbraw/zinc/72/34/29/1317723429.db2.gz PQGGXUMGJYVHHN-WQCNXYOZSA-N 1 0 330.472 3.307 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc3[C@H]2O)c2c1c(F)ccc2O ZINC000808729450 1317724018 /nfs/dbraw/zinc/72/40/18/1317724018.db2.gz JZYFLROOLOEFTN-KUUVAIGYSA-N 1 0 329.371 3.164 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCCN2CC(F)F)ccc1OC ZINC000858230917 1328717877 /nfs/dbraw/zinc/71/78/77/1328717877.db2.gz HATZHVPTTRRHFY-MRXNPFEDSA-N 1 0 342.430 3.051 20 10 EGCDRO C[C@H](O)c1ncc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000809607001 1317843112 /nfs/dbraw/zinc/84/31/12/1317843112.db2.gz MBCQBRCCPVWNIR-ZDUSSCGKSA-N 1 0 349.525 3.039 20 10 EGCDRO OC[C@]1(F)CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809662620 1317859691 /nfs/dbraw/zinc/85/96/91/1317859691.db2.gz ARVVNGRRXBQJFX-NRFANRHFSA-N 1 0 340.442 3.156 20 10 EGCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Br)ccc1O ZINC000809702984 1317869563 /nfs/dbraw/zinc/86/95/63/1317869563.db2.gz BRJDHJAUPPMVHZ-SWLSCSKDSA-N 1 0 339.277 3.213 20 10 EGCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Br)ccc1O ZINC000809702985 1317870003 /nfs/dbraw/zinc/87/00/03/1317870003.db2.gz BRJDHJAUPPMVHZ-WFASDCNBSA-N 1 0 339.277 3.213 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ccccc3OC)C2)c1 ZINC000809711352 1317873674 /nfs/dbraw/zinc/87/36/74/1317873674.db2.gz UYDJVGGWVZCXGK-KRWDZBQOSA-N 1 0 343.423 3.453 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)CCCN(C)Cc2ccco2)c1 ZINC000809718583 1317874978 /nfs/dbraw/zinc/87/49/78/1317874978.db2.gz LTRZDUSZBYAZOG-UHFFFAOYSA-N 1 0 332.444 3.338 20 10 EGCDRO COC(=O)N1CCC([NH2+]Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000858293811 1328730959 /nfs/dbraw/zinc/73/09/59/1328730959.db2.gz QBHLYUVULYOMMC-UHFFFAOYSA-N 1 0 341.455 3.415 20 10 EGCDRO COc1ccc(N(Cc2ccccc2)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000809955081 1317923194 /nfs/dbraw/zinc/92/31/94/1317923194.db2.gz BUQASAXSMZGAHL-HXUWFJFHSA-N 1 0 340.467 3.157 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1F ZINC000810165463 1317966683 /nfs/dbraw/zinc/96/66/83/1317966683.db2.gz SXERKXLYPSGAEC-FXAWDEMLSA-N 1 0 328.431 3.148 20 10 EGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1O ZINC000810213488 1317978039 /nfs/dbraw/zinc/97/80/39/1317978039.db2.gz TXUCBGAUQIBKLR-OAHLLOKOSA-N 1 0 342.439 3.088 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810226842 1317979915 /nfs/dbraw/zinc/97/99/15/1317979915.db2.gz MOUYBJJYEWQHAV-HOCLYGCPSA-N 1 0 347.377 3.239 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)c1ncnn1C)c1ccc(C(F)(F)F)cc1O ZINC000810239502 1317984159 /nfs/dbraw/zinc/98/41/59/1317984159.db2.gz VQXFDMAMBFBZBT-BXKDBHETSA-N 1 0 328.338 3.341 20 10 EGCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000811929799 1318292282 /nfs/dbraw/zinc/29/22/82/1318292282.db2.gz LTSXBCOGSUEJNM-OAHLLOKOSA-N 1 0 347.503 3.191 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3nnc(C(C)C)[nH]3)CC2)cc1 ZINC000812841656 1318469205 /nfs/dbraw/zinc/46/92/05/1318469205.db2.gz SVRRLUPPWPKFHP-AWEZNQCLSA-N 1 0 343.475 3.256 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3nnc(C(C)C)[nH]3)CC2)cc1 ZINC000812841657 1318469323 /nfs/dbraw/zinc/46/93/23/1318469323.db2.gz SVRRLUPPWPKFHP-CQSZACIVSA-N 1 0 343.475 3.256 20 10 EGCDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858485377 1328776554 /nfs/dbraw/zinc/77/65/54/1328776554.db2.gz MGGBAOASLBNEST-NVXWUHKLSA-N 1 0 338.467 3.110 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1F ZINC000813792354 1318633873 /nfs/dbraw/zinc/63/38/73/1318633873.db2.gz XDCXSJNRZKUGMF-HNNXBMFYSA-N 1 0 331.410 3.399 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3C=CCC3)C2)cc1C ZINC001021819010 1318696756 /nfs/dbraw/zinc/69/67/56/1318696756.db2.gz JDFMCIVJUUXKGV-RYQLBKOJSA-N 1 0 328.456 3.097 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@H](CC)CN1C(C)=O ZINC000815056053 1318877051 /nfs/dbraw/zinc/87/70/51/1318877051.db2.gz ZOFSMJVQPGQVIH-RTBURBONSA-N 1 0 331.504 3.282 20 10 EGCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815079181 1318884584 /nfs/dbraw/zinc/88/45/84/1318884584.db2.gz OXGJAZCGUDKODN-QGZVFWFLSA-N 1 0 332.488 3.472 20 10 EGCDRO Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815102766 1318892692 /nfs/dbraw/zinc/89/26/92/1318892692.db2.gz LDRSPHIYTRWBBF-WBVHZDCISA-N 1 0 347.503 3.406 20 10 EGCDRO Cc1sccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000815120034 1318899834 /nfs/dbraw/zinc/89/98/34/1318899834.db2.gz MRNMGFSFMVZCAM-UHFFFAOYSA-N 1 0 334.460 3.447 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580280 1319020993 /nfs/dbraw/zinc/02/09/93/1319020993.db2.gz GPOCYTWIXAJTDD-ZDUSSCGKSA-N 1 0 328.416 3.402 20 10 EGCDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000815641063 1319034901 /nfs/dbraw/zinc/03/49/01/1319034901.db2.gz OJSLLPDODLAJDO-KRWDZBQOSA-N 1 0 341.503 3.479 20 10 EGCDRO O=C1NCCN(Cc2ccc3ccccc3c2O)[C@H]1c1cccs1 ZINC000816515163 1319171188 /nfs/dbraw/zinc/17/11/88/1319171188.db2.gz RCHWXVDHTQNJLE-KRWDZBQOSA-N 1 0 338.432 3.280 20 10 EGCDRO Oc1c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)ccc2ccccc21 ZINC000816517321 1319173408 /nfs/dbraw/zinc/17/34/08/1319173408.db2.gz MBXKHLMGOYMZSR-GOSISDBHSA-N 1 0 327.424 3.315 20 10 EGCDRO Oc1c(C[NH2+]C[C@H](O)COc2ccc(F)cc2)ccc2ccccc21 ZINC000816540108 1319178580 /nfs/dbraw/zinc/17/85/80/1319178580.db2.gz CTKZROMIJQBHQJ-KRWDZBQOSA-N 1 0 341.382 3.214 20 10 EGCDRO O=C(CC[NH2+]Cc1ccc2ccccc2c1O)N1CCCCCC1 ZINC000816562739 1319182641 /nfs/dbraw/zinc/18/26/41/1319182641.db2.gz XFEOMYJNJOMTGL-UHFFFAOYSA-N 1 0 326.440 3.428 20 10 EGCDRO Oc1c(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccc2ccccc21 ZINC000816564858 1319184696 /nfs/dbraw/zinc/18/46/96/1319184696.db2.gz SMFQXKPOCJHXBJ-UHFFFAOYSA-N 1 0 325.330 3.435 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)C[C@]2(CCOC2)O1 ZINC000816596779 1319189002 /nfs/dbraw/zinc/18/90/02/1319189002.db2.gz QBMZIPMNVPSHAS-FQEVSTJZSA-N 1 0 327.424 3.315 20 10 EGCDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000816660525 1319203313 /nfs/dbraw/zinc/20/33/13/1319203313.db2.gz HJRRLZDDJQYWBR-QGZVFWFLSA-N 1 0 346.475 3.111 20 10 EGCDRO CCCCNC(=O)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000915205467 1319442453 /nfs/dbraw/zinc/44/24/53/1319442453.db2.gz GOCPZUSMMRAIIZ-UHFFFAOYSA-N 1 0 341.455 3.069 20 10 EGCDRO COc1ccc([C@@H](NCc2ccc3c(c2)CCO3)[C@@H]2CCC[NH2+]2)cc1 ZINC000817902423 1319456871 /nfs/dbraw/zinc/45/68/71/1319456871.db2.gz QJCIQQXNFVEWST-PZJWPPBQSA-N 1 0 338.451 3.213 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2ccnc2)cc1 ZINC000817938342 1319466347 /nfs/dbraw/zinc/46/63/47/1319466347.db2.gz JDSCMJYPTBNJSW-IERDGZPVSA-N 1 0 349.482 3.289 20 10 EGCDRO COC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000817939280 1319466734 /nfs/dbraw/zinc/46/67/34/1319466734.db2.gz AYKCILYNDBYFCA-OALUTQOASA-N 1 0 347.890 3.383 20 10 EGCDRO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940798 1319468470 /nfs/dbraw/zinc/46/84/70/1319468470.db2.gz HUTFHCPPQMOEJU-PMACEKPBSA-N 1 0 339.483 3.428 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)COC2 ZINC000817941132 1319470030 /nfs/dbraw/zinc/47/00/30/1319470030.db2.gz JDAHEYZTNWQKDY-VBKZILBWSA-N 1 0 325.456 3.133 20 10 EGCDRO CC[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817944019 1319471467 /nfs/dbraw/zinc/47/14/67/1319471467.db2.gz WAMURFOHEPAJHG-VIFPVBQESA-N 1 0 335.673 3.458 20 10 EGCDRO CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817953800 1319475199 /nfs/dbraw/zinc/47/51/99/1319475199.db2.gz RNNYJOLVDMBDIH-SNVBAGLBSA-N 1 0 333.245 3.333 20 10 EGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1nc(Br)cs1 ZINC000817956910 1319477088 /nfs/dbraw/zinc/47/70/88/1319477088.db2.gz FSZRRZDNHNNYPM-VIFPVBQESA-N 1 0 326.263 3.381 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817965591 1319479934 /nfs/dbraw/zinc/47/99/34/1319479934.db2.gz ASKKIUCPYRWNEJ-BONVTDFDSA-N 1 0 345.256 3.334 20 10 EGCDRO CC[C@H](NC[C@@]1(COC)CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817973895 1319482487 /nfs/dbraw/zinc/48/24/87/1319482487.db2.gz HGAFOFJKACSMLJ-GOEBONIOSA-N 1 0 346.393 3.220 20 10 EGCDRO C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Br)cc(F)c1[O-] ZINC000817984376 1319485358 /nfs/dbraw/zinc/48/53/58/1319485358.db2.gz RMVMDVUWOBRPCJ-SECBINFHSA-N 1 0 331.229 3.087 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnn(C(C)(C)C)c3)C2)cc1 ZINC000818220044 1319521897 /nfs/dbraw/zinc/52/18/97/1319521897.db2.gz HXGFPAAYMLUMJG-MRXNPFEDSA-N 1 0 342.487 3.263 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@H](OC)C34CCC4)C2)cc1 ZINC000818342242 1319531212 /nfs/dbraw/zinc/53/12/12/1319531212.db2.gz NPCMHEBXYBPPEP-MNEFBYGVSA-N 1 0 330.472 3.069 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cccc(CO)c3)C2)cc1 ZINC000818343200 1319531621 /nfs/dbraw/zinc/53/16/21/1319531621.db2.gz ZFMZIIMTBITLRR-SJLPKXTDSA-N 1 0 340.467 3.365 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000818615412 1319570055 /nfs/dbraw/zinc/57/00/55/1319570055.db2.gz NXJXEURRDGADOX-BZHVJNSISA-N 1 0 331.229 3.214 20 10 EGCDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000818942303 1319583338 /nfs/dbraw/zinc/58/33/38/1319583338.db2.gz YDNXJKNIPREVTN-QGZVFWFLSA-N 1 0 348.874 3.244 20 10 EGCDRO O=C(CC[NH2+]Cc1ccc2c(c1)CCO2)Nc1cccc(Cl)c1 ZINC000818996414 1319610523 /nfs/dbraw/zinc/61/05/23/1319610523.db2.gz HAIVICGINOXPBV-UHFFFAOYSA-N 1 0 330.815 3.393 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000819377462 1319713348 /nfs/dbraw/zinc/71/33/48/1319713348.db2.gz QNHSRXQAOMZSIN-PXNSSMCTSA-N 1 0 342.483 3.022 20 10 EGCDRO CCOC(=O)CN(Cc1ccc(CF)cc1)Cc1ccccc1O ZINC000823576351 1320187608 /nfs/dbraw/zinc/18/76/08/1320187608.db2.gz NOATVSXYWMSJJE-UHFFFAOYSA-N 1 0 331.387 3.427 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000823666823 1320196597 /nfs/dbraw/zinc/19/65/97/1320196597.db2.gz SZXFCQDIKYHOQP-QGZVFWFLSA-N 1 0 332.513 3.431 20 10 EGCDRO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000823855602 1320212154 /nfs/dbraw/zinc/21/21/54/1320212154.db2.gz YXZXRUYRHCXMJW-DAXOMENPSA-N 1 0 340.920 3.351 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H](C)O1 ZINC000823955100 1320218143 /nfs/dbraw/zinc/21/81/43/1320218143.db2.gz HGZHJYYWOUGPBN-WVZRYYJFSA-N 1 0 340.414 3.412 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCC1 ZINC000824084252 1320228054 /nfs/dbraw/zinc/22/80/54/1320228054.db2.gz AYADQOPKIPKWKV-IEBWSBKVSA-N 1 0 329.488 3.057 20 10 EGCDRO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000824615596 1320270436 /nfs/dbraw/zinc/27/04/36/1320270436.db2.gz JDTJKNJGNIPFTA-HNNXBMFYSA-N 1 0 328.412 3.208 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1Cl ZINC000824726023 1320281161 /nfs/dbraw/zinc/28/11/61/1320281161.db2.gz OVKXCULKFSBHRU-HNNXBMFYSA-N 1 0 336.863 3.331 20 10 EGCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000824889666 1320294048 /nfs/dbraw/zinc/29/40/48/1320294048.db2.gz SPDYBSGMVDMWCR-ZDUSSCGKSA-N 1 0 341.293 3.318 20 10 EGCDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(Br)cc1O ZINC000825150688 1320315152 /nfs/dbraw/zinc/31/51/52/1320315152.db2.gz JVNNBKHKSPCCJD-MRVPVSSYSA-N 1 0 342.155 3.212 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000825188337 1320317079 /nfs/dbraw/zinc/31/70/79/1320317079.db2.gz JHOXCAGDYOYMPD-GOEBONIOSA-N 1 0 329.419 3.090 20 10 EGCDRO CCOC1CC(CC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825672111 1320354517 /nfs/dbraw/zinc/35/45/17/1320354517.db2.gz ZLEAHKQZCPTTDH-UHFFFAOYSA-N 1 0 328.250 3.450 20 10 EGCDRO Oc1cccc2c1C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC000825699711 1320355947 /nfs/dbraw/zinc/35/59/47/1320355947.db2.gz WVXIOAKROPIWBG-ZDUSSCGKSA-N 1 0 334.213 3.117 20 10 EGCDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825939942 1320372839 /nfs/dbraw/zinc/37/28/39/1320372839.db2.gz JBTRZPUFCJYVQG-CYBMUJFWSA-N 1 0 326.824 3.065 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc1Cl ZINC000826131699 1320384774 /nfs/dbraw/zinc/38/47/74/1320384774.db2.gz XNONWTMWEGXCHR-UHFFFAOYSA-N 1 0 327.852 3.011 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CC3(C2)CCOCC3)c1O ZINC000839141775 1320878166 /nfs/dbraw/zinc/87/81/66/1320878166.db2.gz ZQPYFQNQAZEXEK-UHFFFAOYSA-N 1 0 326.234 3.076 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000839918983 1320995471 /nfs/dbraw/zinc/99/54/71/1320995471.db2.gz OVQHFSBMHDBLPL-KRWDZBQOSA-N 1 0 345.531 3.229 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](c4nc(C)no4)C3)c2c1 ZINC000840123820 1321033740 /nfs/dbraw/zinc/03/37/40/1321033740.db2.gz HYIDYSNOYJCXJW-CQSZACIVSA-N 1 0 339.395 3.235 20 10 EGCDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000840809379 1321153677 /nfs/dbraw/zinc/15/36/77/1321153677.db2.gz RPRIGCANQLBJSE-NVXWUHKLSA-N 1 0 329.440 3.444 20 10 EGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840892772 1321171930 /nfs/dbraw/zinc/17/19/30/1321171930.db2.gz CXFUTLNFQUBJFT-SJORKVTESA-N 1 0 333.520 3.229 20 10 EGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840930992 1321179332 /nfs/dbraw/zinc/17/93/32/1321179332.db2.gz CBZRAOLQCVMFOL-UHFFFAOYSA-N 1 0 329.400 3.268 20 10 EGCDRO CC(C)(CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)S(C)(=O)=O ZINC000840960567 1321187289 /nfs/dbraw/zinc/18/72/89/1321187289.db2.gz PDJIKKIXWVNXAL-UHFFFAOYSA-N 1 0 347.480 3.362 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@H](O)C(C)C ZINC000840966201 1321188914 /nfs/dbraw/zinc/18/89/14/1321188914.db2.gz DJPXIMRCWRTGCN-ZIAGYGMSSA-N 1 0 330.266 3.348 20 10 EGCDRO Cn1nc(C(F)(F)F)c(C[NH2+]CCc2ccc(N)cc2)c1Cl ZINC000841034044 1321205207 /nfs/dbraw/zinc/20/52/07/1321205207.db2.gz FSMFGKRMVSHLAC-UHFFFAOYSA-N 1 0 332.757 3.007 20 10 EGCDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc(N)cc2)c(C)c1 ZINC000841033855 1321205381 /nfs/dbraw/zinc/20/53/81/1321205381.db2.gz CGXRCYIUGWYGRY-INIZCTEOSA-N 1 0 325.456 3.435 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc(F)cc3cccnc32)cc1 ZINC000841041726 1321207661 /nfs/dbraw/zinc/20/76/61/1321207661.db2.gz AXNPJVKRPKHLJV-LJQANCHMSA-N 1 0 338.430 3.230 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841042455 1321207960 /nfs/dbraw/zinc/20/79/60/1321207960.db2.gz JTPDWSSCXYTCBB-NRFANRHFSA-N 1 0 340.515 3.388 20 10 EGCDRO COc1ccc2oc(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc2c1 ZINC000841046254 1321209272 /nfs/dbraw/zinc/20/92/72/1321209272.db2.gz YOTUJVXEWSALLP-LJQANCHMSA-N 1 0 339.439 3.297 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2ccc3c(c2)CCCN3)cc1OC ZINC000841069634 1321213194 /nfs/dbraw/zinc/21/31/94/1321213194.db2.gz BWHQBVZNHKFUHP-UHFFFAOYSA-N 1 0 328.412 3.057 20 10 EGCDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(N)cc2)[NH+]2CCCC2)o1 ZINC000841301219 1321249609 /nfs/dbraw/zinc/24/96/09/1321249609.db2.gz GHOQPRBINKJRBR-MRXNPFEDSA-N 1 0 328.416 3.129 20 10 EGCDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841301540 1321249709 /nfs/dbraw/zinc/24/97/09/1321249709.db2.gz TZPNGJYSRJTJON-UHFFFAOYSA-N 1 0 340.471 3.297 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841305202 1321251060 /nfs/dbraw/zinc/25/10/60/1321251060.db2.gz ANIWUKWOILMRRI-UHFFFAOYSA-N 1 0 338.455 3.028 20 10 EGCDRO C[NH2+]Cc1ccccc1NC(=O)NCCCSc1nccs1 ZINC000841307766 1321252329 /nfs/dbraw/zinc/25/23/29/1321252329.db2.gz LGCYXXDGXXDQRY-UHFFFAOYSA-N 1 0 336.486 3.166 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000841406971 1321269388 /nfs/dbraw/zinc/26/93/88/1321269388.db2.gz UMUKONWUAXPQLQ-RDTXWAMCSA-N 1 0 342.439 3.271 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000841718001 1321301786 /nfs/dbraw/zinc/30/17/86/1321301786.db2.gz PHVKSPWBEQLRIO-QAQDUYKDSA-N 1 0 346.519 3.097 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(Cl)cc1O ZINC000841751250 1321306115 /nfs/dbraw/zinc/30/61/15/1321306115.db2.gz GOSBPGRRVZHBRK-CYBMUJFWSA-N 1 0 347.846 3.128 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841751176 1321306493 /nfs/dbraw/zinc/30/64/93/1321306493.db2.gz MDHPHICKNFGWAV-MJEQTWJJSA-N 1 0 335.831 3.181 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000841862647 1321324521 /nfs/dbraw/zinc/32/45/21/1321324521.db2.gz BROLPTINTTXCBX-UHFFFAOYSA-N 1 0 325.456 3.053 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000841926315 1321329900 /nfs/dbraw/zinc/32/99/00/1321329900.db2.gz GHZCMDHLICXURQ-FUHWJXTLSA-N 1 0 346.519 3.062 20 10 EGCDRO O=C(NC[C@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841923958 1321330135 /nfs/dbraw/zinc/33/01/35/1321330135.db2.gz SAUYUSWKXWZREM-INIZCTEOSA-N 1 0 345.487 3.236 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000841939402 1321330914 /nfs/dbraw/zinc/33/09/14/1321330914.db2.gz QEANKRORSHVMSU-KRWDZBQOSA-N 1 0 333.476 3.221 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841995892 1321334346 /nfs/dbraw/zinc/33/43/46/1321334346.db2.gz OOJXSEZWFISPSX-QAQDUYKDSA-N 1 0 346.519 3.049 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842005586 1321334899 /nfs/dbraw/zinc/33/48/99/1321334899.db2.gz QOJCZIRUPCOXRY-QGZVFWFLSA-N 1 0 333.476 3.236 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc2c(cc1O)CCCC2 ZINC000842884741 1321443834 /nfs/dbraw/zinc/44/38/34/1321443834.db2.gz JZFZCLLWBLDGDC-DYVFJYSZSA-N 1 0 330.472 3.321 20 10 EGCDRO COc1ccc(O)c(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1 ZINC000843052110 1321462180 /nfs/dbraw/zinc/46/21/80/1321462180.db2.gz GINRYDBQFZYFJW-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnc([C@@H]2CCCO2)s1 ZINC000843058575 1321464182 /nfs/dbraw/zinc/46/41/82/1321464182.db2.gz VKOIQOKPZDYEML-KRWDZBQOSA-N 1 0 329.469 3.406 20 10 EGCDRO C[NH2+]CCC1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000843057426 1321464274 /nfs/dbraw/zinc/46/42/74/1321464274.db2.gz LPKNESFUYIWHJI-UHFFFAOYSA-N 1 0 341.293 3.285 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N(Cc1ccccc1)C1CC1 ZINC000843349949 1321503654 /nfs/dbraw/zinc/50/36/54/1321503654.db2.gz GHOLQJODLPGCFC-UHFFFAOYSA-N 1 0 349.478 3.089 20 10 EGCDRO C[C@H](C(=O)N(C)C1CCCCC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349751 1321503656 /nfs/dbraw/zinc/50/36/56/1321503656.db2.gz AEEITKOSXYNHPD-OAHLLOKOSA-N 1 0 329.488 3.078 20 10 EGCDRO C[C@@H](C(=O)N1CCCc2ccccc21)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350719 1321504367 /nfs/dbraw/zinc/50/43/67/1321504367.db2.gz XPDXWRLPPDMRCB-INIZCTEOSA-N 1 0 349.478 3.266 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000843487416 1321522148 /nfs/dbraw/zinc/52/21/48/1321522148.db2.gz FCFNSFGIWOCNEE-BEFAXECRSA-N 1 0 338.451 3.480 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000843487166 1321522392 /nfs/dbraw/zinc/52/23/92/1321522392.db2.gz AIJKPVSDMMEPRI-IBGZPJMESA-N 1 0 339.483 3.061 20 10 EGCDRO C[C@@H](c1nc(-c2cccnc2)no1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844220078 1321580165 /nfs/dbraw/zinc/58/01/65/1321580165.db2.gz RGZMRDDBZYRACV-ZDUSSCGKSA-N 1 0 335.411 3.104 20 10 EGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000844850528 1321650521 /nfs/dbraw/zinc/65/05/21/1321650521.db2.gz UXFBNEWIIMDVLQ-INIZCTEOSA-N 1 0 347.846 3.148 20 10 EGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000845926034 1321754383 /nfs/dbraw/zinc/75/43/83/1321754383.db2.gz OAWTUAQGGNBBAX-IBGZPJMESA-N 1 0 348.531 3.436 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CCC([C@H](C)CO)CC2)c1O ZINC000846058685 1321765272 /nfs/dbraw/zinc/76/52/72/1321765272.db2.gz RPPKUZZLADELRU-GFCCVEGCSA-N 1 0 342.277 3.304 20 10 EGCDRO COc1cc(OC)c(C[NH2+]Cc2cc(Cl)ccc2O)cc1F ZINC000846055340 1321765320 /nfs/dbraw/zinc/76/53/20/1321765320.db2.gz LKAKRHNEMXSXAH-UHFFFAOYSA-N 1 0 325.767 3.492 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C1CC1 ZINC000846121952 1321769431 /nfs/dbraw/zinc/76/94/31/1321769431.db2.gz DTTZGZVMYGXBEP-VQTJNVASSA-N 1 0 342.483 3.308 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1O ZINC000846137666 1321770231 /nfs/dbraw/zinc/77/02/31/1321770231.db2.gz FMDFEZKJHYUUJM-CQSZACIVSA-N 1 0 327.428 3.247 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c1O ZINC000846142547 1321770702 /nfs/dbraw/zinc/77/07/02/1321770702.db2.gz FIXIOLDXOASYDL-JKSUJKDBSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000846146896 1321771467 /nfs/dbraw/zinc/77/14/67/1321771467.db2.gz SMZPMNOPLNWXJO-QWHCGFSZSA-N 1 0 336.432 3.061 20 10 EGCDRO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(OC)c3O)C2)c1 ZINC000846146625 1321771470 /nfs/dbraw/zinc/77/14/70/1321771470.db2.gz RIUYEPHHPILGEQ-LSDHHAIUSA-N 1 0 342.439 3.339 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000846143789 1321771552 /nfs/dbraw/zinc/77/15/52/1321771552.db2.gz HJHRATHSDVOGGN-MNOVXSKESA-N 1 0 327.384 3.395 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1O ZINC000846143259 1321771579 /nfs/dbraw/zinc/77/15/79/1321771579.db2.gz YTFUCMQIHHKSQR-LBPRGKRZSA-N 1 0 348.830 3.135 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000846149678 1321772294 /nfs/dbraw/zinc/77/22/94/1321772294.db2.gz ORAJGFXFZHFEKT-STQMWFEESA-N 1 0 338.448 3.355 20 10 EGCDRO COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846169383 1321773668 /nfs/dbraw/zinc/77/36/68/1321773668.db2.gz DGGYWOVXQYBDJE-LBPRGKRZSA-N 1 0 330.384 3.430 20 10 EGCDRO O=C1CCCN1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000846204681 1321775505 /nfs/dbraw/zinc/77/55/05/1321775505.db2.gz ARMSIDAYJJNMOP-IBGZPJMESA-N 1 0 338.451 3.278 20 10 EGCDRO C[C@@H](c1ccccc1)[N@H+](CC[C@H]1CCNC1=O)Cc1ccccc1O ZINC000846839912 1321814660 /nfs/dbraw/zinc/81/46/60/1321814660.db2.gz HUJVRCVVPWWSEZ-FUHWJXTLSA-N 1 0 338.451 3.482 20 10 EGCDRO Cc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)ccc1N(C)C ZINC000846932193 1321825279 /nfs/dbraw/zinc/82/52/79/1321825279.db2.gz PUCUYOHPVJYIAP-SFHVURJKSA-N 1 0 326.488 3.420 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCCC[C@H]3CO)cc2)CC1 ZINC000847014492 1321834008 /nfs/dbraw/zinc/83/40/08/1321834008.db2.gz KGEZFFCNCDOADC-IBGZPJMESA-N 1 0 332.488 3.039 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c(O)c(C(C)(C)C)c1 ZINC000850030694 1322185664 /nfs/dbraw/zinc/18/56/64/1322185664.db2.gz LSSFQIGVQRDKNI-MSOLQXFVSA-N 1 0 332.488 3.415 20 10 EGCDRO COc1cc(C[NH2+]CCN(C)CC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850133372 1322196631 /nfs/dbraw/zinc/19/66/31/1322196631.db2.gz IVSZTDNOTBLMLG-UHFFFAOYSA-N 1 0 348.409 3.282 20 10 EGCDRO COc1cc(C[NH2+]CCc2cnc(C)cn2)c(O)c(C(C)(C)C)c1 ZINC000850319477 1322227708 /nfs/dbraw/zinc/22/77/08/1322227708.db2.gz NANPGFIRBXCLAH-UHFFFAOYSA-N 1 0 329.444 3.129 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnc4ccccc34)cc2)CC1 ZINC000850405834 1322240005 /nfs/dbraw/zinc/24/00/05/1322240005.db2.gz GRVQUPVAKVNVQT-UHFFFAOYSA-N 1 0 347.462 3.486 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)CC1 ZINC000850406624 1322240414 /nfs/dbraw/zinc/24/04/14/1322240414.db2.gz NKXSQWOODAISMY-UHFFFAOYSA-N 1 0 337.423 3.079 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000850417355 1322243089 /nfs/dbraw/zinc/24/30/89/1322243089.db2.gz TYGJHMZRUGQLRY-ZDUSSCGKSA-N 1 0 338.448 3.136 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c(O)c1C ZINC000850532115 1322261569 /nfs/dbraw/zinc/26/15/69/1322261569.db2.gz PXCRZESJTBODSJ-HNNXBMFYSA-N 1 0 339.501 3.407 20 10 EGCDRO c1cc2c(cc1C[NH2+]CCCc1nnc3n1CCCCC3)CCCO2 ZINC000921666821 1322374269 /nfs/dbraw/zinc/37/42/69/1322374269.db2.gz WKEJBKMBUWVONA-UHFFFAOYSA-N 1 0 340.471 3.052 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc2c(c1)CC(=O)N2C ZINC000921668693 1322375276 /nfs/dbraw/zinc/37/52/76/1322375276.db2.gz JCXFVSOMZMGHID-AWEZNQCLSA-N 1 0 336.435 3.381 20 10 EGCDRO OC1(c2cccnc2)CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922009358 1322438876 /nfs/dbraw/zinc/43/88/76/1322438876.db2.gz ZSOOPAZLRPFELV-UHFFFAOYSA-N 1 0 338.451 3.327 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cnn(C4CCCC4)c3)cc2)CC1 ZINC000922621665 1322573130 /nfs/dbraw/zinc/57/31/30/1322573130.db2.gz DIINHHBPXHWIKC-UHFFFAOYSA-N 1 0 339.487 3.362 20 10 EGCDRO C/C=C(\C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023923652 1323029304 /nfs/dbraw/zinc/02/93/04/1323029304.db2.gz DPPUHYWNLLIVBZ-IQXODGKNSA-N 1 0 330.472 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C=C3CCC3)C2)cc1C ZINC001023928684 1323034359 /nfs/dbraw/zinc/03/43/59/1323034359.db2.gz RTCCSDCJNLYPBK-IBGZPJMESA-N 1 0 342.483 3.442 20 10 EGCDRO COc1ncc(Br)cc1C[NH2+][C@H](C)c1ccccc1O ZINC000851896839 1323108703 /nfs/dbraw/zinc/10/87/03/1323108703.db2.gz LBCSZYROVRZSEE-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760603 1323147807 /nfs/dbraw/zinc/14/78/07/1323147807.db2.gz QGEDFKJTULHDQS-QGZVFWFLSA-N 1 0 339.483 3.011 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2cccc3c2C[NH2+]C3)cc1F ZINC000852804782 1323243184 /nfs/dbraw/zinc/24/31/84/1323243184.db2.gz GTQJEHBTUFRNIV-UHFFFAOYSA-N 1 0 341.430 3.205 20 10 EGCDRO CCCC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)[C@@H]2C1 ZINC001026174797 1324643224 /nfs/dbraw/zinc/64/32/24/1324643224.db2.gz NVJCONPLWHTLBG-RCCFBDPRSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)cc1C ZINC001026680127 1324971387 /nfs/dbraw/zinc/97/13/87/1324971387.db2.gz RJWUMYINMKBBLY-RTBURBONSA-N 1 0 342.483 3.298 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1C(C)C ZINC000853593051 1325131163 /nfs/dbraw/zinc/13/11/63/1325131163.db2.gz DBNITHAHEYZIOQ-INIZCTEOSA-N 1 0 330.472 3.268 20 10 EGCDRO CCC(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001027031556 1325167322 /nfs/dbraw/zinc/16/73/22/1325167322.db2.gz OJWRWCNOJIPPMI-KRWDZBQOSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[C@H]4C)C3)C2)cc1C ZINC000963516957 1325286990 /nfs/dbraw/zinc/28/69/90/1325286990.db2.gz DECHOGNAFQIJFR-UPIQUKMRSA-N 1 0 342.483 3.177 20 10 EGCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@@H]4C)C3)C2)cc1C ZINC000963516958 1325287345 /nfs/dbraw/zinc/28/73/45/1325287345.db2.gz DECHOGNAFQIJFR-VDFGATEQSA-N 1 0 342.483 3.177 20 10 EGCDRO Cc1ccc(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)c(O)c1O ZINC000854676672 1325294401 /nfs/dbraw/zinc/29/44/01/1325294401.db2.gz RRCSIRYFLMFNBW-UHFFFAOYSA-N 1 0 346.471 3.133 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000926919786 1327775905 /nfs/dbraw/zinc/77/59/05/1327775905.db2.gz FLKUOHFYAOQJDA-NEPJUHHUSA-N 1 0 332.366 3.078 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1F ZINC000862229901 1329468659 /nfs/dbraw/zinc/46/86/59/1329468659.db2.gz REQPIQLKWYELCQ-CYBMUJFWSA-N 1 0 334.414 3.144 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1n1ccnc1 ZINC000862251494 1329471530 /nfs/dbraw/zinc/47/15/30/1329471530.db2.gz FWXJAIKEFDIXRU-UGSOOPFHSA-N 1 0 334.414 3.310 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000862367793 1329478338 /nfs/dbraw/zinc/47/83/38/1329478338.db2.gz VLKKOIKLQGQVLV-OAHLLOKOSA-N 1 0 336.229 3.368 20 10 EGCDRO CCC(O)(CC)C[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000862539013 1329493864 /nfs/dbraw/zinc/49/38/64/1329493864.db2.gz HLHAFYAZRKAZLC-UHFFFAOYSA-N 1 0 346.265 3.146 20 10 EGCDRO COc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2)c1O ZINC000865749543 1329734769 /nfs/dbraw/zinc/73/47/69/1329734769.db2.gz DWWZMJRXTGXZKM-SFHVURJKSA-N 1 0 326.440 3.073 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c(O)c1 ZINC000865879316 1329748331 /nfs/dbraw/zinc/74/83/31/1329748331.db2.gz LOKRICYRKSRWNT-UHFFFAOYSA-N 1 0 328.412 3.060 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)c1 ZINC000866470190 1330116395 /nfs/dbraw/zinc/11/63/95/1330116395.db2.gz UXEQPZAZSWUDOJ-OAHLLOKOSA-N 1 0 348.487 3.340 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(C)CC=CC3)C[C@H]2C)cc1C ZINC000939069170 1330369337 /nfs/dbraw/zinc/36/93/37/1330369337.db2.gz USVATHZHLMBXGY-SJLPKXTDSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C(/C)C3CC3)C2)cc1C ZINC000967410283 1335729855 /nfs/dbraw/zinc/72/98/55/1335729855.db2.gz CAIFNNQDDIXRHO-DEQJRXDXSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(C)oc3C)C2)cc1C ZINC001018489274 1339639608 /nfs/dbraw/zinc/63/96/08/1339639608.db2.gz GEGNJXLGWNXWLY-KRWDZBQOSA-N 1 0 342.439 3.218 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC34CC4)CC2)cc1C ZINC001034743719 1342731976 /nfs/dbraw/zinc/73/19/76/1342731976.db2.gz AXKMSVUGMPJZJT-BZSNNMDCSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@H]2C)cc1C ZINC001035957168 1343287669 /nfs/dbraw/zinc/28/76/69/1343287669.db2.gz CBSWWUILBFEOET-AGRFBSDFSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)c2ccco2)cc1C ZINC001036927899 1343870626 /nfs/dbraw/zinc/87/06/26/1343870626.db2.gz SIVJYODQGICEDO-DLBZAZTESA-N 1 0 342.439 3.285 20 10 EGCDRO CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CC ZINC001037977365 1344216404 /nfs/dbraw/zinc/21/64/04/1344216404.db2.gz SRWRSVOUJUZDKY-CZUORRHYSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](F)C(C)C)cc1C ZINC001045156708 1346509043 /nfs/dbraw/zinc/50/90/43/1346509043.db2.gz HXRHPUDLRNWPOT-WMZOPIPTSA-N 1 0 336.451 3.078 20 10 EGCDRO CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863384 1347136429 /nfs/dbraw/zinc/13/64/29/1347136429.db2.gz YJJHZNMCUGFYBL-ACJLOTCBSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3occc3C)C[C@H]2C)cc1C ZINC001054388678 1349345254 /nfs/dbraw/zinc/34/52/54/1349345254.db2.gz WQFZYJIXKCLIGA-NVXWUHKLSA-N 1 0 342.439 3.155 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(CO)CC2)c1O ZINC001233107313 1376571219 /nfs/dbraw/zinc/57/12/19/1376571219.db2.gz XJEBEIGWHIGFNN-INIZCTEOSA-N 1 0 342.277 3.448 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C)[C@H]2CO)c1O ZINC001233106799 1376571357 /nfs/dbraw/zinc/57/13/57/1376571357.db2.gz OHEAJWAHZGBWDF-IINYFYTJSA-N 1 0 328.250 3.056 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3CCC3)CC[C@H]2C)cc1C ZINC001072154397 1355155476 /nfs/dbraw/zinc/15/54/76/1355155476.db2.gz QDQMCKIFXWPGTJ-BEFAXECRSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC3(C)C)C2)cc1C ZINC001086675876 1359183145 /nfs/dbraw/zinc/18/31/45/1359183145.db2.gz ZYTFYOJMGJZQTG-RCCFBDPRSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001086778225 1359199036 /nfs/dbraw/zinc/19/90/36/1359199036.db2.gz BJYFKTWYXJIXPL-RUGDWHBFSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3CC4(CC4)C3)C2)cc1C ZINC001091227351 1361014958 /nfs/dbraw/zinc/01/49/58/1361014958.db2.gz GCNBQVCZNHXDNL-UHFFFAOYSA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)CC3(C)CC3)C2)cc1C ZINC001100520305 1364144754 /nfs/dbraw/zinc/14/47/54/1364144754.db2.gz ZNKZQLZKSLHDGX-UHFFFAOYSA-N 1 0 330.472 3.178 20 10 EGCDRO O=C(NCCn1ccnc1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195256035 1368408556 /nfs/dbraw/zinc/40/85/56/1368408556.db2.gz ZQNAIFSSFFPYJE-QURGRASLSA-N 1 0 335.367 3.434 20 10 EGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001203556176 1370168635 /nfs/dbraw/zinc/16/86/35/1370168635.db2.gz MKEJGJLABYCYDD-NSHDSACASA-N 1 0 327.306 3.174 20 10 EGCDRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203556368 1370168703 /nfs/dbraw/zinc/16/87/03/1370168703.db2.gz NWKXTIUORAJIBZ-QGZVFWFLSA-N 1 0 342.483 3.301 20 10 EGCDRO COc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c1O ZINC001203592587 1370181352 /nfs/dbraw/zinc/18/13/52/1370181352.db2.gz HKIWQXGXKGPFTD-NJAFHUGGSA-N 1 0 331.456 3.428 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c1O ZINC001203602122 1370183801 /nfs/dbraw/zinc/18/38/01/1370183801.db2.gz ATUIEXJRSJCUPF-UHFFFAOYSA-N 1 0 345.418 3.037 20 10 EGCDRO CCOc1cccc(C[N@H+](C)CCN(C)Cc2ccccc2)c1O ZINC001203615302 1370188840 /nfs/dbraw/zinc/18/88/40/1370188840.db2.gz PULFRASUOOSGEY-UHFFFAOYSA-N 1 0 328.456 3.355 20 10 EGCDRO COc1ccc(C[NH+]2CCC(COc3cccnc3)CC2)c(O)c1 ZINC001203621525 1370190141 /nfs/dbraw/zinc/19/01/41/1370190141.db2.gz WVHLFTCFEYAXQI-UHFFFAOYSA-N 1 0 328.412 3.087 20 10 EGCDRO COc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c(O)c1 ZINC001203627446 1370192251 /nfs/dbraw/zinc/19/22/51/1370192251.db2.gz FBKOMXOHLIORSI-UHFFFAOYSA-N 1 0 335.407 3.145 20 10 EGCDRO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2cc(Cl)ccc2O)N1CC1CC1 ZINC001203656343 1370203591 /nfs/dbraw/zinc/20/35/91/1370203591.db2.gz NOQXCUIDPVDKBY-HOTGVXAUSA-N 1 0 334.847 3.021 20 10 EGCDRO CC1(C(=O)N2CCCC2)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203663988 1370206957 /nfs/dbraw/zinc/20/69/57/1370206957.db2.gz KAOIHNWEMFAIRE-UHFFFAOYSA-N 1 0 336.863 3.270 20 10 EGCDRO CC(C)N1CCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1=O ZINC001203665667 1370208075 /nfs/dbraw/zinc/20/80/75/1370208075.db2.gz SRCPFYQCGPQUCR-UHFFFAOYSA-N 1 0 336.863 3.269 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3c(C)cccc3C)CC2)c1 ZINC001203680857 1370215994 /nfs/dbraw/zinc/21/59/94/1370215994.db2.gz HOGUKOCMDQNSAD-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)c1 ZINC001203684424 1370216807 /nfs/dbraw/zinc/21/68/07/1370216807.db2.gz VYBKQMYSKKMFHS-UHFFFAOYSA-N 1 0 330.403 3.252 20 10 EGCDRO Oc1ccc(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)cc1O ZINC001203874448 1370296559 /nfs/dbraw/zinc/29/65/59/1370296559.db2.gz YKPIARMJXGJKCB-UHFFFAOYSA-N 1 0 333.815 3.235 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC001203892409 1370302878 /nfs/dbraw/zinc/30/28/78/1370302878.db2.gz KOJDQQCJWSRCLA-UHFFFAOYSA-N 1 0 340.467 3.342 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001203930612 1370319721 /nfs/dbraw/zinc/31/97/21/1370319721.db2.gz AREQZOGHPYXMRS-UHFFFAOYSA-N 1 0 345.487 3.195 20 10 EGCDRO CCN(CC)c1ccc(CN2CCO[C@@H](C[NH+](CC)CC)C2)cc1 ZINC001203946599 1370324782 /nfs/dbraw/zinc/32/47/82/1370324782.db2.gz XEIOSYSTVKFOOR-FQEVSTJZSA-N 1 0 333.520 3.075 20 10 EGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204232624 1370417203 /nfs/dbraw/zinc/41/72/03/1370417203.db2.gz GSNRMNWOLRHPKR-MRXNPFEDSA-N 1 0 326.440 3.291 20 10 EGCDRO Oc1ccc(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001204276090 1370428882 /nfs/dbraw/zinc/42/88/82/1370428882.db2.gz GEHZQJKYHNOFAB-XLIONFOSSA-N 1 0 338.451 3.194 20 10 EGCDRO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204324136 1370443991 /nfs/dbraw/zinc/44/39/91/1370443991.db2.gz ZAOANTUJCJQWEL-QFIPXVFZSA-N 1 0 347.462 3.383 20 10 EGCDRO CC(=O)N1CC[C@H]([N@@H+](Cc2ccc(N3CCCC3)cc2)C(C)C)C1 ZINC001204328356 1370445747 /nfs/dbraw/zinc/44/57/47/1370445747.db2.gz HNNBJLKULJXDMV-FQEVSTJZSA-N 1 0 329.488 3.118 20 10 EGCDRO C[C@H]1CC[NH2+]CCN1Cc1cc(OCc2ccccc2)ccc1O ZINC001205333267 1370724227 /nfs/dbraw/zinc/72/42/27/1370724227.db2.gz YYOCOKLTJXUUDT-INIZCTEOSA-N 1 0 326.440 3.155 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205842187 1370889895 /nfs/dbraw/zinc/88/98/95/1370889895.db2.gz MYRPDDIJERGUGX-MFKMUULPSA-N 1 0 327.266 3.022 20 10 EGCDRO Cc1cc(CN2CCCC[C@](F)(C[NH3+])C2)c(O)cc1Br ZINC001206380284 1371038709 /nfs/dbraw/zinc/03/87/09/1371038709.db2.gz PGPGWZHSXGIVHN-HNNXBMFYSA-N 1 0 345.256 3.116 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2cnccc2C(F)(F)F)cc1OC ZINC001118611055 1371206544 /nfs/dbraw/zinc/20/65/44/1371206544.db2.gz VYGLHHUDSZKWDA-UHFFFAOYSA-N 1 0 342.317 3.113 20 10 EGCDRO COCCC1(C[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC001118855138 1371241204 /nfs/dbraw/zinc/24/12/04/1371241204.db2.gz ADKHXALSTFYZDT-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC001207632596 1371459714 /nfs/dbraw/zinc/45/97/14/1371459714.db2.gz PMDMEINOHLJOKZ-IPMKNSEASA-N 1 0 342.483 3.046 20 10 EGCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)C=C(C)C)C3)C2)cc1C ZINC001120582491 1371622609 /nfs/dbraw/zinc/62/26/09/1371622609.db2.gz URVLYBZAVLGFJF-UHFFFAOYSA-N 1 0 342.483 3.487 20 10 EGCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](CCC4CC4)C3)C2)cc1 ZINC001208681218 1371859796 /nfs/dbraw/zinc/85/97/96/1371859796.db2.gz QKFQKIFMJDLKRI-NRFANRHFSA-N 1 0 344.499 3.414 20 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COc1ccc(C[NH2+]CCNC(=O)[C@H](C)c2ccsc2)cc1C ZINC001133732363 1376182418 /nfs/dbraw/zinc/18/24/18/1376182418.db2.gz PGBPLMNAGYDRBE-CQSZACIVSA-N 1 0 332.469 3.075 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1O ZINC001231593214 1376274009 /nfs/dbraw/zinc/27/40/09/1376274009.db2.gz SNKQWXXVMXQFSR-IBGZPJMESA-N 1 0 342.464 3.391 20 10 EGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(O)cc2O)cc1 ZINC001231635037 1376286799 /nfs/dbraw/zinc/28/67/99/1376286799.db2.gz DCDXIOGCMZIGFX-INIZCTEOSA-N 1 0 329.396 3.452 20 10 EGCDRO COc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c(O)cc1O ZINC001231635757 1376286950 /nfs/dbraw/zinc/28/69/50/1376286950.db2.gz KEMHWRSETHZZJI-OAHLLOKOSA-N 1 0 331.437 3.397 20 10 EGCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261280 1376425925 /nfs/dbraw/zinc/42/59/25/1376425925.db2.gz YJFWGANRHYHZBK-QGZVFWFLSA-N 1 0 341.835 3.307 20 10 EGCDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)cc1Cl ZINC001232271416 1376427510 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CCCCN(CCCC)c1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236030199 1376927526 /nfs/dbraw/zinc/92/75/26/1376927526.db2.gz WDLDOESQNZVVJA-YLJYHZDGSA-N 1 0 331.504 3.332 20 10 EGCDRO CCCC[C@@H]1CN(Cc2cc(C)cc(Br)c2O)CC[NH2+]1 ZINC001236140831 1376935946 /nfs/dbraw/zinc/93/59/46/1376935946.db2.gz HNSWXTWXEDXSKG-CQSZACIVSA-N 1 0 341.293 3.427 20 10 EGCDRO CCC[N@@H+](Cc1cc(F)cc(Br)c1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236843521 1376966457 /nfs/dbraw/zinc/96/64/57/1376966457.db2.gz PICQIQJEAYLWHQ-LLVKDONJSA-N 1 0 345.256 3.115 20 10 EGCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c(O)c1 ZINC001237052465 1376972146 /nfs/dbraw/zinc/97/21/46/1376972146.db2.gz ZZYQYYZSIFJOQB-INIZCTEOSA-N 1 0 331.391 3.098 20 10 EGCDRO CCCN(CC(=O)OCC)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237059456 1376973301 /nfs/dbraw/zinc/97/33/01/1376973301.db2.gz OBKWJLVAYRAMEP-UHFFFAOYSA-N 1 0 349.349 3.108 20 10 EGCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237141889 1376976373 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20 10 EGCDRO CCN1C(=O)CCC12CC[NH+](Cc1c(C)n(C)c3ccccc31)CC2 ZINC001138253888 1377693996 /nfs/dbraw/zinc/69/39/96/1377693996.db2.gz JXWKCHLXGOUMPN-UHFFFAOYSA-N 1 0 339.483 3.464 20 10 EGCDRO Cc1c(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c2ccccc2n1C ZINC001138257034 1377694745 /nfs/dbraw/zinc/69/47/45/1377694745.db2.gz SVFKLNQBVJWCES-UHFFFAOYSA-N 1 0 339.483 3.321 20 10 EGCDRO Cc1c(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c2ccccc2n1C ZINC001138259884 1377694957 /nfs/dbraw/zinc/69/49/57/1377694957.db2.gz PSNYRJUBOXXAKF-INIZCTEOSA-N 1 0 336.439 3.238 20 10 EGCDRO Cc1c(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c2ccccc2n1C ZINC001138260124 1377695398 /nfs/dbraw/zinc/69/53/98/1377695398.db2.gz VPQRUTHZIRHDBS-INIZCTEOSA-N 1 0 336.439 3.238 20 10 EGCDRO COc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139259217 1377858722 /nfs/dbraw/zinc/85/87/22/1377858722.db2.gz NAVAXIGYCUAHEL-HNNXBMFYSA-N 1 0 340.467 3.409 20 10 EGCDRO Cc1cc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)ccc1N(C)C ZINC001139669603 1377930353 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CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140055368 1377996891 /nfs/dbraw/zinc/99/68/91/1377996891.db2.gz SYBRQVJYRPPKHJ-HNNXBMFYSA-N 1 0 338.423 3.411 20 10 EGCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140058973 1377997917 /nfs/dbraw/zinc/99/79/17/1377997917.db2.gz ROYMMUGONAFFHA-OAHLLOKOSA-N 1 0 338.423 3.363 20 10 EGCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140057689 1377998241 /nfs/dbraw/zinc/99/82/41/1377998241.db2.gz KDBXFMXJWAJAKS-CYBMUJFWSA-N 1 0 338.423 3.220 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)CC[C@@]1(C)O ZINC001140098616 1378007668 /nfs/dbraw/zinc/00/76/68/1378007668.db2.gz HWVBOBCDDHCFEM-XHDPSFHLSA-N 1 0 328.250 3.138 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c1O ZINC001140178281 1378026277 /nfs/dbraw/zinc/02/62/77/1378026277.db2.gz HADQZBVSWFMFKN-MRXNPFEDSA-N 1 0 346.471 3.498 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1O ZINC001140181687 1378027296 /nfs/dbraw/zinc/02/72/96/1378027296.db2.gz VADPLLMRDDOCFG-RDJZCZTQSA-N 1 0 346.471 3.450 20 10 EGCDRO CC(C)[N@H+](CCCCCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287379 1378041217 /nfs/dbraw/zinc/04/12/17/1378041217.db2.gz RHKPGDIVGAWMDW-UHFFFAOYSA-N 1 0 334.504 3.021 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CN3CCn4cccc4[C@@H]3C)cc2)CC1 ZINC001140305660 1378042908 /nfs/dbraw/zinc/04/29/08/1378042908.db2.gz FCUQBZHPCRSGGI-SFHVURJKSA-N 1 0 338.499 3.207 20 10 EGCDRO Oc1cccc(Cl)c1CN1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC001140339102 1378048809 /nfs/dbraw/zinc/04/88/09/1378048809.db2.gz RCQPDOPXACSRNR-UHFFFAOYSA-N 1 0 343.858 3.149 20 10 EGCDRO CCOC(=O)N1CCC([N@H+](C)Cc2c(O)cccc2Cl)CC1 ZINC001140341507 1378049517 /nfs/dbraw/zinc/04/95/17/1378049517.db2.gz RXHUQILOSURINF-UHFFFAOYSA-N 1 0 326.824 3.098 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1c1ccccc1 ZINC001140342693 1378050111 /nfs/dbraw/zinc/05/01/11/1378050111.db2.gz UZXAIGSOVJJMHL-HUUCEWRRSA-N 1 0 345.826 3.434 20 10 EGCDRO O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140465613 1378067953 /nfs/dbraw/zinc/06/79/53/1378067953.db2.gz QXWKLZDYMOSZKV-INIZCTEOSA-N 1 0 348.874 3.316 20 10 EGCDRO COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464356 1378068114 /nfs/dbraw/zinc/06/81/14/1378068114.db2.gz MMLUPDXRNXOBSA-HNNXBMFYSA-N 1 0 348.830 3.493 20 10 EGCDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465984 1378068404 /nfs/dbraw/zinc/06/84/04/1378068404.db2.gz XSNYZRUFVHFBBH-SFHVURJKSA-N 1 0 328.799 3.141 20 10 EGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001140468394 1378069060 /nfs/dbraw/zinc/06/90/60/1378069060.db2.gz JBVKFJDPJVLBKE-HNNXBMFYSA-N 1 0 333.819 3.187 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1c1ccccc1 ZINC001140468766 1378069084 /nfs/dbraw/zinc/06/90/84/1378069084.db2.gz XDNYFNUICVGCEJ-IAGOWNOFSA-N 1 0 345.826 3.434 20 10 EGCDRO CC(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001273285305 1378094707 /nfs/dbraw/zinc/09/47/07/1378094707.db2.gz PZTZWDLZFKHUPJ-FQEVSTJZSA-N 1 0 348.462 3.392 20 10 EGCDRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140617727 1378098339 /nfs/dbraw/zinc/09/83/39/1378098339.db2.gz ZJYNRDJOWHMBMC-UHFFFAOYSA-N 1 0 332.444 3.145 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)c1 ZINC001140620832 1378099525 /nfs/dbraw/zinc/09/95/25/1378099525.db2.gz CRXDTACTIFQXAD-QGZVFWFLSA-N 1 0 339.439 3.029 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001140623072 1378100473 /nfs/dbraw/zinc/10/04/73/1378100473.db2.gz LAYXZPXUTBZYRU-CABCVRRESA-N 1 0 338.423 3.138 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c1O ZINC001140746163 1378128312 /nfs/dbraw/zinc/12/83/12/1378128312.db2.gz VERUYPOKMYMHCV-UHFFFAOYSA-N 1 0 331.387 3.029 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c1O ZINC001140745307 1378128592 /nfs/dbraw/zinc/12/85/92/1378128592.db2.gz DZCHFEJXERDVEF-UHFFFAOYSA-N 1 0 326.440 3.114 20 10 EGCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c1O ZINC001140748306 1378128860 /nfs/dbraw/zinc/12/88/60/1378128860.db2.gz JWTNMSVRYMBKMT-AYBZRNKSSA-N 1 0 331.456 3.433 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1O ZINC001140749002 1378128994 /nfs/dbraw/zinc/12/89/94/1378128994.db2.gz NPJXHQDYZWVPEH-UHFFFAOYSA-N 1 0 339.435 3.470 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c1O ZINC001140749960 1378129281 /nfs/dbraw/zinc/12/92/81/1378129281.db2.gz PNGHYOGFCWXGJH-INIZCTEOSA-N 1 0 326.396 3.009 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c(O)c1 ZINC001140850665 1378157952 /nfs/dbraw/zinc/15/79/52/1378157952.db2.gz PWUWNUJIRICJRW-INIZCTEOSA-N 1 0 344.459 3.309 20 10 EGCDRO CC[C@@H]1[N@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@]12CCC(=O)N2 ZINC001140923928 1378181861 /nfs/dbraw/zinc/18/18/61/1378181861.db2.gz IOJZGDYLZJPTNC-HKUYNNGSSA-N 1 0 349.906 3.429 20 10 EGCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140924123 1378182334 /nfs/dbraw/zinc/18/23/34/1378182334.db2.gz DWDJEYREVJURBK-NOLJZWGESA-N 1 0 336.863 3.180 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140948005 1378188184 /nfs/dbraw/zinc/18/81/84/1378188184.db2.gz PALUGSMORFKULD-HOTGVXAUSA-N 1 0 332.444 3.284 20 10 EGCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001327500257 1388537249 /nfs/dbraw/zinc/53/72/49/1388537249.db2.gz VYINEMZMRJNQLU-INIZCTEOSA-N 1 0 338.455 3.107 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC[C@]1(C)O ZINC001141075099 1378233219 /nfs/dbraw/zinc/23/32/19/1378233219.db2.gz YQYPXAGAPBXERS-IERDGZPVSA-N 1 0 328.500 3.368 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](CC(=O)OC(C)(C)C)C3)ccc21 ZINC001141144993 1378248121 /nfs/dbraw/zinc/24/81/21/1378248121.db2.gz NQIXZOPIMSXXCQ-MRXNPFEDSA-N 1 0 346.471 3.069 20 10 EGCDRO C[C@@H]1C(=O)CC[N@H+](Cc2ccc3c(c2)OCCN3C)C12CCCC2 ZINC001141146476 1378248839 /nfs/dbraw/zinc/24/88/39/1378248839.db2.gz WOKMSUNDBRTSKA-OAHLLOKOSA-N 1 0 328.456 3.239 20 10 EGCDRO Oc1ccc(O)c(C[NH+]2CCC(OCc3ccccc3F)CC2)c1 ZINC001141160390 1378254360 /nfs/dbraw/zinc/25/43/60/1378254360.db2.gz WVISGUKLFFGLHW-UHFFFAOYSA-N 1 0 331.387 3.418 20 10 EGCDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)c1 ZINC001141163288 1378255680 /nfs/dbraw/zinc/25/56/80/1378255680.db2.gz YVDJULGOCWJWJW-KRWDZBQOSA-N 1 0 327.380 3.222 20 10 EGCDRO [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001141367452 1378311323 /nfs/dbraw/zinc/31/13/23/1378311323.db2.gz ANHYESSTMYHJNE-LLVKDONJSA-N 1 0 334.641 3.155 20 10 EGCDRO CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])CC(C)(C)O ZINC001141375230 1378313242 /nfs/dbraw/zinc/31/32/42/1378313242.db2.gz ZTFAIUDIDVDRQN-UHFFFAOYSA-N 1 0 336.657 3.401 20 10 EGCDRO Oc1cc2c(cc1O)CN(Cc1n[nH]c3ccc(F)cc31)CCC2 ZINC001144202543 1378698086 /nfs/dbraw/zinc/69/80/86/1378698086.db2.gz UJWUZPUKQBNXNN-UHFFFAOYSA-N 1 0 327.359 3.062 20 10 EGCDRO C[N@H+](Cc1cccnc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299468 1378712904 /nfs/dbraw/zinc/71/29/04/1378712904.db2.gz XOBQQCOTGABVBE-UHFFFAOYSA-N 1 0 325.181 3.321 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc3cnccc3c2)cc1C ZINC001146833605 1378932342 /nfs/dbraw/zinc/93/23/42/1378932342.db2.gz HDAFVOJZALLYHV-UHFFFAOYSA-N 1 0 349.434 3.071 20 10 EGCDRO Cc1cc(C)c(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nn1 ZINC001155628766 1380476132 /nfs/dbraw/zinc/47/61/32/1380476132.db2.gz FSTMFVKGKXBLSV-MTQWCTHYSA-N 1 0 338.499 3.493 20 10 EGCDRO Cc1ccc(Cl)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156651536 1380604108 /nfs/dbraw/zinc/60/41/08/1380604108.db2.gz NPIZZHAHSLWCSJ-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO O=C1c2ccccc2C(=O)c2c(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)cccc21 ZINC001159438220 1381794396 /nfs/dbraw/zinc/79/43/96/1381794396.db2.gz JASFDBIMWRCDMQ-OLZOCXBDSA-N 1 0 330.387 3.282 20 10 EGCDRO CN(c1ccc2c(c1)CC[NH2+]C2)c1cc(Br)ccc1N ZINC001159694152 1381872595 /nfs/dbraw/zinc/87/25/95/1381872595.db2.gz JRXGTKGHGVQROE-UHFFFAOYSA-N 1 0 332.245 3.445 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3C)CC2)cc1C ZINC001163265294 1383008135 /nfs/dbraw/zinc/00/81/35/1383008135.db2.gz SMIYUNBNWQVFQS-RHSMWYFYSA-N 1 0 330.472 3.036 20 10 EGCDRO Cc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC001167431290 1383632722 /nfs/dbraw/zinc/63/27/22/1383632722.db2.gz QEYCSFASHDPWSI-UHFFFAOYSA-N 1 0 340.427 3.267 20 10 EGCDRO Cc1cc(N(C)C)nc(NCc2cc(Cl)c3cccnc3c2O)[nH+]1 ZINC001168521488 1383928913 /nfs/dbraw/zinc/92/89/13/1383928913.db2.gz DEFRWQLKBZKGFS-UHFFFAOYSA-N 1 0 343.818 3.370 20 10 EGCDRO CC1(C)CC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC(C)(C)N1O ZINC001169967327 1384206593 /nfs/dbraw/zinc/20/65/93/1384206593.db2.gz JBWYOJURXXXRJP-UHFFFAOYSA-N 1 0 347.503 3.024 20 10 EGCDRO Oc1ccc(CNc2nc3cc(Br)ccc3[nH]2)cc1O ZINC001169993403 1384213187 /nfs/dbraw/zinc/21/31/87/1384213187.db2.gz VNSCGCAMWYDUOV-UHFFFAOYSA-N 1 0 334.173 3.349 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCc2ccccc2)cc1C ZINC001171870281 1384666538 /nfs/dbraw/zinc/66/65/38/1384666538.db2.gz ZGJNOPLYEXGFSQ-UHFFFAOYSA-N 1 0 340.467 3.232 20 10 EGCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)c(O)c1 ZINC001172663971 1384829423 /nfs/dbraw/zinc/82/94/23/1384829423.db2.gz IVVCAIHHLSFDCA-GOSISDBHSA-N 1 0 338.451 3.290 20 10 EGCDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172852809 1384865463 /nfs/dbraw/zinc/86/54/63/1384865463.db2.gz UXPQCCUFCFWTCC-SNVBAGLBSA-N 1 0 337.778 3.294 20 10 EGCDRO COC(=O)CCCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001173459509 1384974948 /nfs/dbraw/zinc/97/49/48/1384974948.db2.gz MXONNACUVDYULD-KRWDZBQOSA-N 1 0 348.487 3.248 20 10 EGCDRO NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001319690372 1386253450 /nfs/dbraw/zinc/25/34/50/1386253450.db2.gz DVGACQNIFHBMBS-UHFFFAOYSA-N 1 0 337.467 3.164 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC001320257447 1386564659 /nfs/dbraw/zinc/56/46/59/1386564659.db2.gz ANHZXTMQPFYDMO-DYVFJYSZSA-N 1 0 336.435 3.325 20 10 EGCDRO COCCCOC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320509818 1386633209 /nfs/dbraw/zinc/63/32/09/1386633209.db2.gz TVFCDPAEKACAPA-UHFFFAOYSA-N 1 0 332.488 3.304 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC001321023495 1386786192 /nfs/dbraw/zinc/78/61/92/1386786192.db2.gz NGRSYVMBHFTWCU-IXDOHACOSA-N 1 0 332.488 3.195 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(C)CN(C(=O)C(C)C)C[C@H]2C)cc1C ZINC001180625721 1386851245 /nfs/dbraw/zinc/85/12/45/1386851245.db2.gz RLKCRZFLCHGTNF-OXQOHEQNSA-N 1 0 332.488 3.234 20 10 EGCDRO OC[C@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCOc2ccccc21 ZINC001321350205 1386882616 /nfs/dbraw/zinc/88/26/16/1386882616.db2.gz NWZMCXIODGYUPI-OAQYLSRUSA-N 1 0 338.451 3.047 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001321358087 1386885422 /nfs/dbraw/zinc/88/54/22/1386885422.db2.gz OCQGYVNAZGQWQW-UHFFFAOYSA-N 1 0 330.281 3.157 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H](C)C(C)C)C2)cc1C ZINC001181543426 1387013807 /nfs/dbraw/zinc/01/38/07/1387013807.db2.gz RAMBHBJUCIDXCY-CRAIPNDOSA-N 1 0 332.488 3.376 20 10 EGCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCCCSc1nccs1 ZINC001322870075 1387249974 /nfs/dbraw/zinc/24/99/74/1387249974.db2.gz WTQMYYPQKQAWSY-ZDUSSCGKSA-N 1 0 327.519 3.006 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2F)CC1 ZINC001336105598 1389015142 /nfs/dbraw/zinc/01/51/42/1389015142.db2.gz QOBHIDLLSBBAHV-UHFFFAOYSA-N 1 0 341.421 3.245 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CC(c4ccc(F)cc4)C3)cc2)CC1 ZINC001336756035 1389157630 /nfs/dbraw/zinc/15/76/30/1389157630.db2.gz ZLHNAVAPTZVHIT-UHFFFAOYSA-N 1 0 340.442 3.386 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CCC2CCOCC2)c1O ZINC001337278874 1389292108 /nfs/dbraw/zinc/29/21/08/1389292108.db2.gz HRQGYMKGJPDMOK-UHFFFAOYSA-N 1 0 328.250 3.369 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001330319645 1389387388 /nfs/dbraw/zinc/38/73/88/1389387388.db2.gz HJTHRLOPOSJWTH-ILXRZTDVSA-N 1 0 330.472 3.486 20 10 EGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1C ZINC001338751763 1389751735 /nfs/dbraw/zinc/75/17/35/1389751735.db2.gz QPIGELJEFPGZCO-GJYPPUQNSA-N 1 0 333.495 3.492 20 10 EGCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001338752203 1389752502 /nfs/dbraw/zinc/75/25/02/1389752502.db2.gz UCHDMGOICDKMLL-IAGOWNOFSA-N 1 0 333.495 3.493 20 10 EGCDRO COc1cc(C)cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC001332689985 1390154019 /nfs/dbraw/zinc/15/40/19/1390154019.db2.gz GHHOZFUYLXNTOL-KRWDZBQOSA-N 1 0 331.412 3.483 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCc3cnn(C(C)C)c32)c(O)c1OC ZINC001333751900 1390392251 /nfs/dbraw/zinc/39/22/51/1390392251.db2.gz AZBRJEUVERQMJJ-OAHLLOKOSA-N 1 0 345.443 3.354 20 10 EGCDRO COc1ccc(CN2CC(C)(C)[C@H]2c2ccncc2)c(O)c1OC ZINC001335544638 1390701468 /nfs/dbraw/zinc/70/14/68/1390701468.db2.gz ZHBJRESQSLTYJY-GOSISDBHSA-N 1 0 328.412 3.388 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCCCNC(=O)OC(C)(C)C)c1O ZINC001353584354 1392044143 /nfs/dbraw/zinc/04/41/43/1392044143.db2.gz NPEXDQDSHVMZNO-UHFFFAOYSA-N 1 0 338.448 3.104 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2[nH]c(C)cc2C)cc1C ZINC001690849586 1404775962 /nfs/dbraw/zinc/77/59/62/1404775962.db2.gz GQBOMXYXHQRNAT-HNNXBMFYSA-N 1 0 343.471 3.247 20 10 EGCDRO CC[C@@H](CNC(=O)[C@H]1CC=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753467662 1440413164 /nfs/dbraw/zinc/41/31/64/1440413164.db2.gz WQBJETTULFAZGX-ROUUACIJSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001754181689 1440548133 /nfs/dbraw/zinc/54/81/33/1440548133.db2.gz MNKYSHPYCCRDDM-RAEMOODJSA-N 1 0 342.483 3.202 20 10 EGCDRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297546615 202127134 /nfs/dbraw/zinc/12/71/34/202127134.db2.gz FIJADKVLXIRRQK-MJGOQNOKSA-N 1 0 327.424 3.490 20 10 EGCDRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)ccc1O ZINC000298316779 132389577 /nfs/dbraw/zinc/38/95/77/132389577.db2.gz IBMUPVZCKNCUTB-UHFFFAOYSA-N 1 0 326.440 3.463 20 10 EGCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Br)ccc3O)CC[C@H]21 ZINC000228183508 456121293 /nfs/dbraw/zinc/12/12/93/456121293.db2.gz TUYPNQAMPWNAKI-IUODEOHRSA-N 1 0 339.277 3.071 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000237789796 455219158 /nfs/dbraw/zinc/21/91/58/455219158.db2.gz GRFQGUHSRUZAMO-MRXNPFEDSA-N 1 0 336.229 3.286 20 10 EGCDRO CC[C@@H](COC)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157754128 455227556 /nfs/dbraw/zinc/22/75/56/455227556.db2.gz HFBFAGVRRJJNAO-ZDUSSCGKSA-N 1 0 328.403 3.271 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000190023589 455273478 /nfs/dbraw/zinc/27/34/78/455273478.db2.gz QRHCMZFMPQURLM-UHFFFAOYSA-N 1 0 349.377 3.163 20 10 EGCDRO C[N@@H+](Cc1ccccc1N1CCCC1)Cc1cc2c(cc1O)OCO2 ZINC000007317605 453059649 /nfs/dbraw/zinc/05/96/49/453059649.db2.gz RMQMCBRWHMNPAG-UHFFFAOYSA-N 1 0 340.423 3.353 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000068525386 454034078 /nfs/dbraw/zinc/03/40/78/454034078.db2.gz JEAHPGYSFGNMIC-UHFFFAOYSA-N 1 0 325.456 3.086 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)OCO2 ZINC000119607230 454207191 /nfs/dbraw/zinc/20/71/91/454207191.db2.gz KVLPYQPVEVQNPS-CQSZACIVSA-N 1 0 347.436 3.364 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000119650811 454210860 /nfs/dbraw/zinc/21/08/60/454210860.db2.gz RLPNOLQJMGFLOB-INIZCTEOSA-N 1 0 326.440 3.383 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)Cc1ccccc1O ZINC000079392911 454406973 /nfs/dbraw/zinc/40/69/73/454406973.db2.gz BOKRYMLSUQFVKA-INIZCTEOSA-N 1 0 333.476 3.188 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000097907395 454446139 /nfs/dbraw/zinc/44/61/39/454446139.db2.gz RQNVXGNNXFOHFA-QGZVFWFLSA-N 1 0 346.471 3.370 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092484506 454572649 /nfs/dbraw/zinc/57/26/49/454572649.db2.gz LBRSESISDBIKOS-UHFFFAOYSA-N 1 0 343.496 3.209 20 10 EGCDRO OCC[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccnc1 ZINC000093085701 454680754 /nfs/dbraw/zinc/68/07/54/454680754.db2.gz FKAIVCJDYZVPQP-UHFFFAOYSA-N 1 0 325.456 3.066 20 10 EGCDRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(N(C)C)c(F)c3)c(C)n2n1 ZINC000093403376 454712829 /nfs/dbraw/zinc/71/28/29/454712829.db2.gz QGZWXLHWUYIHHN-ZDUSSCGKSA-N 1 0 341.434 3.402 20 10 EGCDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093754233 454731300 /nfs/dbraw/zinc/73/13/00/454731300.db2.gz NDTKCTNAPMRRBM-LJQANCHMSA-N 1 0 332.488 3.162 20 10 EGCDRO COCC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000124643414 454756073 /nfs/dbraw/zinc/75/60/73/454756073.db2.gz GYKRHSAXEWAMER-KBPBESRZSA-N 1 0 328.403 3.271 20 10 EGCDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000109771186 454835198 /nfs/dbraw/zinc/83/51/98/454835198.db2.gz RAEASHMGADVHAY-UHFFFAOYSA-N 1 0 343.383 3.069 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000177266601 454844958 /nfs/dbraw/zinc/84/49/58/454844958.db2.gz YXSKSYWDPZTXBF-CQSZACIVSA-N 1 0 336.863 3.166 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000111884377 454877391 /nfs/dbraw/zinc/87/73/91/454877391.db2.gz AXSOUWNCOVLGIQ-KRWDZBQOSA-N 1 0 333.476 3.188 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000185053665 455493081 /nfs/dbraw/zinc/49/30/81/455493081.db2.gz QQTDPFHCYZXWPX-MRXNPFEDSA-N 1 0 325.456 3.411 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000182323842 455489270 /nfs/dbraw/zinc/48/92/70/455489270.db2.gz AAUWARXJKQWTGW-KBXCAEBGSA-N 1 0 340.423 3.165 20 10 EGCDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178222458 454942947 /nfs/dbraw/zinc/94/29/47/454942947.db2.gz YUQWKQJUZDEBMR-HNNXBMFYSA-N 1 0 335.467 3.239 20 10 EGCDRO COc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000114217032 454947413 /nfs/dbraw/zinc/94/74/13/454947413.db2.gz BBGLDOSZRYFDIL-UHFFFAOYSA-N 1 0 339.338 3.301 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178436695 454955297 /nfs/dbraw/zinc/95/52/97/454955297.db2.gz QIYZEOGTJMFDFV-HOCLYGCPSA-N 1 0 338.467 3.110 20 10 EGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178723469 454969838 /nfs/dbraw/zinc/96/98/38/454969838.db2.gz JRMIGQRUSPVGEF-UONOGXRCSA-N 1 0 346.450 3.116 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cncs1 ZINC000151528793 454997272 /nfs/dbraw/zinc/99/72/72/454997272.db2.gz KCEATPXLTGYBKA-GFCCVEGCSA-N 1 0 335.448 3.094 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)ccc1OC ZINC000179005917 454998105 /nfs/dbraw/zinc/99/81/05/454998105.db2.gz FFULAKXDVXGYJM-NRFANRHFSA-N 1 0 341.451 3.155 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)ccc1OC ZINC000179047083 455002521 /nfs/dbraw/zinc/00/25/21/455002521.db2.gz TUTFYQWBXBJEHF-HXUWFJFHSA-N 1 0 347.430 3.368 20 10 EGCDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000155923185 455063213 /nfs/dbraw/zinc/06/32/13/455063213.db2.gz MAFVHKOMYJXRMW-CQSZACIVSA-N 1 0 329.444 3.021 20 10 EGCDRO CC[C@@]1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000129012465 455094380 /nfs/dbraw/zinc/09/43/80/455094380.db2.gz UWVONEQBRYOICS-FQEVSTJZSA-N 1 0 329.488 3.168 20 10 EGCDRO COc1cccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c1O ZINC000237375195 455179063 /nfs/dbraw/zinc/17/90/63/455179063.db2.gz ZVUKRUNWPGRPRD-UHFFFAOYSA-N 1 0 349.814 3.158 20 10 EGCDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)cc1 ZINC000183432899 455292803 /nfs/dbraw/zinc/29/28/03/455292803.db2.gz LWAHVJUBRZLKKC-XLIONFOSSA-N 1 0 340.467 3.425 20 10 EGCDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000181061788 455281993 /nfs/dbraw/zinc/28/19/93/455281993.db2.gz GPJISMZJUUAWRK-MRXNPFEDSA-N 1 0 341.455 3.054 20 10 EGCDRO CCSc1cc(C[NH2+]Cc2cc(OC)c(OC)cc2O)ccn1 ZINC000190194942 455287823 /nfs/dbraw/zinc/28/78/23/455287823.db2.gz YEVAVWURCYWXEG-UHFFFAOYSA-N 1 0 334.441 3.206 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccccc1O ZINC000183446124 455293328 /nfs/dbraw/zinc/29/33/28/455293328.db2.gz KKEFWDBLNSKLFN-IRXDYDNUSA-N 1 0 340.467 3.464 20 10 EGCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCCCC3)cc1)CC2 ZINC000160298983 455446624 /nfs/dbraw/zinc/44/66/24/455446624.db2.gz FXCHAZUMYRDHFR-CRAIPNDOSA-N 1 0 339.487 3.242 20 10 EGCDRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Cl)ccc1O ZINC000184988407 455483008 /nfs/dbraw/zinc/48/30/08/455483008.db2.gz DJXHQXMTOPSHCW-LBPRGKRZSA-N 1 0 328.803 3.477 20 10 EGCDRO C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000185191641 455518813 /nfs/dbraw/zinc/51/88/13/455518813.db2.gz VRUYETQTXKBDAW-RDTXWAMCSA-N 1 0 338.467 3.110 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c1 ZINC000185649752 455589223 /nfs/dbraw/zinc/58/92/23/455589223.db2.gz JZMGYEHZTBFONG-CQSZACIVSA-N 1 0 333.453 3.096 20 10 EGCDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185826109 455629723 /nfs/dbraw/zinc/62/97/23/455629723.db2.gz KXERVTHKBNUHJW-FZKQIMNGSA-N 1 0 331.412 3.184 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000268245776 455629982 /nfs/dbraw/zinc/62/99/82/455629982.db2.gz AVSGDAKIYFXYKK-LJQANCHMSA-N 1 0 327.424 3.344 20 10 EGCDRO Oc1cc(F)cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000186158008 455706276 /nfs/dbraw/zinc/70/62/76/455706276.db2.gz DYUXADNWLQXTNP-SFHVURJKSA-N 1 0 331.387 3.418 20 10 EGCDRO CC(C)[N@H+](C)CCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268737967 455711494 /nfs/dbraw/zinc/71/14/94/455711494.db2.gz CEQJANVCEKJBNF-MRXNPFEDSA-N 1 0 337.483 3.043 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cncc(F)c1 ZINC000268867238 455715727 /nfs/dbraw/zinc/71/57/27/455715727.db2.gz ULAHRSZUSSKVJB-CYBMUJFWSA-N 1 0 347.409 3.172 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)cc1 ZINC000268836292 455715935 /nfs/dbraw/zinc/71/59/35/455715935.db2.gz BGUNGZUQESZTJG-SFHVURJKSA-N 1 0 345.531 3.438 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc1 ZINC000268871172 455717426 /nfs/dbraw/zinc/71/74/26/455717426.db2.gz GFRNPUBDMIRGOA-RYQLBKOJSA-N 1 0 331.504 3.440 20 10 EGCDRO COC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000193275318 455749983 /nfs/dbraw/zinc/74/99/83/455749983.db2.gz FBHKCABVTPZEDD-AWEZNQCLSA-N 1 0 335.787 3.252 20 10 EGCDRO Cc1cc(C[NH+]2CCC(N3CCCCC3=O)CC2)ccc1N(C)C ZINC000292850433 455763689 /nfs/dbraw/zinc/76/36/89/455763689.db2.gz QNPBVGYMGCGUBY-UHFFFAOYSA-N 1 0 329.488 3.038 20 10 EGCDRO Cc1cccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1O ZINC000271797137 455763927 /nfs/dbraw/zinc/76/39/27/455763927.db2.gz IESXNVMZQRXPGY-OAHLLOKOSA-N 1 0 336.229 3.286 20 10 EGCDRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccccc2O)C1=O ZINC000292969370 455768383 /nfs/dbraw/zinc/76/83/83/455768383.db2.gz KEXCFAIKXVDILE-RDTXWAMCSA-N 1 0 342.414 3.373 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000293433946 455787156 /nfs/dbraw/zinc/78/71/56/455787156.db2.gz OLAOQRYWFJZYDR-HNAYVOBHSA-N 1 0 341.430 3.057 20 10 EGCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000271862971 455791040 /nfs/dbraw/zinc/79/10/40/455791040.db2.gz ZFQZHDCDEXMAHT-AWEZNQCLSA-N 1 0 329.444 3.233 20 10 EGCDRO CC(=O)NCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293744485 455796390 /nfs/dbraw/zinc/79/63/90/455796390.db2.gz NTILYXCYVNMFQN-IBGZPJMESA-N 1 0 326.440 3.182 20 10 EGCDRO COc1c(O)c(CN2CC=C(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278261475 455799801 /nfs/dbraw/zinc/79/98/01/455799801.db2.gz QPVHQQLKBVQHDQ-UHFFFAOYSA-N 1 0 332.278 3.003 20 10 EGCDRO CC(C)[N@H+](CC(N)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294529762 455818923 /nfs/dbraw/zinc/81/89/23/455818923.db2.gz GXBHHHYSSZLNHB-UHFFFAOYSA-N 1 0 331.485 3.080 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000269242484 455818940 /nfs/dbraw/zinc/81/89/40/455818940.db2.gz CSVJMSQXFBOVKR-RDTXWAMCSA-N 1 0 325.456 3.212 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)ccc1N(C)C ZINC000294553122 455819410 /nfs/dbraw/zinc/81/94/10/455819410.db2.gz KXDOHMKASYFBTK-JPYJTQIMSA-N 1 0 330.497 3.270 20 10 EGCDRO CC[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccccc1O ZINC000295114601 455838779 /nfs/dbraw/zinc/83/87/79/455838779.db2.gz MCXFYLZUIYSBPH-XUJLQICISA-N 1 0 325.474 3.036 20 10 EGCDRO COC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCCO1 ZINC000278548534 455840737 /nfs/dbraw/zinc/84/07/37/455840737.db2.gz BFMWBZVRBPXJMV-AZUAARDMSA-N 1 0 327.424 3.343 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(NC(C)=O)nc2)cc1 ZINC000278607211 455841860 /nfs/dbraw/zinc/84/18/60/455841860.db2.gz IMZGBNBKKLCCHH-UHFFFAOYSA-N 1 0 326.444 3.176 20 10 EGCDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000295999071 455865640 /nfs/dbraw/zinc/86/56/40/455865640.db2.gz ODBBCEJVYHAJSH-QGZVFWFLSA-N 1 0 330.472 3.396 20 10 EGCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(-c3ccccc3)ccc1O)CCO2 ZINC000279704474 455871340 /nfs/dbraw/zinc/87/13/40/455871340.db2.gz RPZNCTYCFWLTQS-IERDGZPVSA-N 1 0 339.435 3.439 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c(C(F)(F)F)c1 ZINC000279834404 455875030 /nfs/dbraw/zinc/87/50/30/455875030.db2.gz HCIDSHJDAZWJEH-WBMJQRKESA-N 1 0 330.394 3.412 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000279914298 455876601 /nfs/dbraw/zinc/87/66/01/455876601.db2.gz SKQBLDWMMBLJFJ-IEZWGBDMSA-N 1 0 330.472 3.354 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(C)cc1O ZINC000279954629 455879013 /nfs/dbraw/zinc/87/90/13/455879013.db2.gz BYXSBSKUGRLGBS-SFHVURJKSA-N 1 0 341.455 3.173 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccc1C ZINC000272238681 455888152 /nfs/dbraw/zinc/88/81/52/455888152.db2.gz KPNFRPOXDHBRFF-RDJZCZTQSA-N 1 0 325.456 3.212 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(C)cc1O ZINC000280247376 455926613 /nfs/dbraw/zinc/92/66/13/455926613.db2.gz WITMWGLHRQVNQZ-QGZVFWFLSA-N 1 0 330.403 3.310 20 10 EGCDRO CN(c1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1)C1CCCCC1 ZINC000270335859 455931623 /nfs/dbraw/zinc/93/16/23/455931623.db2.gz MZKXJZQKQXAFTJ-GOSISDBHSA-N 1 0 343.515 3.461 20 10 EGCDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000296563625 455974530 /nfs/dbraw/zinc/97/45/30/455974530.db2.gz CPXJWJAOENHUJQ-FQEVSTJZSA-N 1 0 332.488 3.160 20 10 EGCDRO COc1cccc(C[NH2+]CCCOCCOCc2ccccc2)c1O ZINC000272556336 455992889 /nfs/dbraw/zinc/99/28/89/455992889.db2.gz MYVZFLJDBPZXMD-UHFFFAOYSA-N 1 0 345.439 3.114 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1F ZINC000272558873 455993299 /nfs/dbraw/zinc/99/32/99/455993299.db2.gz NIZLPZRVBSEXSJ-UHFFFAOYSA-N 1 0 347.400 3.398 20 10 EGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296690700 456011048 /nfs/dbraw/zinc/01/10/48/456011048.db2.gz HDKVKMDVPPAWKP-RDJZCZTQSA-N 1 0 345.464 3.222 20 10 EGCDRO O=C1C[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)CN1Cc1ccccc1 ZINC000296736106 456023237 /nfs/dbraw/zinc/02/32/37/456023237.db2.gz JCORPTOSEUAPDX-AEFFLSMTSA-N 1 0 336.435 3.018 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1cc(F)ccc1O ZINC000287221658 456064411 /nfs/dbraw/zinc/06/44/11/456064411.db2.gz GBEWQJNIHMTGFO-KGLIPLIRSA-N 1 0 346.402 3.192 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287527937 456071507 /nfs/dbraw/zinc/07/15/07/456071507.db2.gz DNRMVIIEVABTGU-QGZVFWFLSA-N 1 0 339.911 3.112 20 10 EGCDRO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287584198 456072152 /nfs/dbraw/zinc/07/21/52/456072152.db2.gz HQLTZHGYSCLIMG-CZUORRHYSA-N 1 0 328.884 3.443 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2cc(C(N)=O)cs2)C2CC2)cc1 ZINC000271038534 456107051 /nfs/dbraw/zinc/10/70/51/456107051.db2.gz GWLPKRLVXHAPLK-UHFFFAOYSA-N 1 0 329.469 3.078 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccccc1O ZINC000272923128 456114473 /nfs/dbraw/zinc/11/44/73/456114473.db2.gz YIFWQAUDSHKAGD-CQSZACIVSA-N 1 0 330.403 3.219 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1O ZINC000289649645 456135420 /nfs/dbraw/zinc/13/54/20/456135420.db2.gz MSVZSIUWBOWAKD-QYZOEREBSA-N 1 0 339.435 3.405 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1 ZINC000271177997 456156318 /nfs/dbraw/zinc/15/63/18/456156318.db2.gz NWWYGMMWCQMMAK-UHFFFAOYSA-N 1 0 340.423 3.257 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c(O)c1 ZINC000263666614 456187018 /nfs/dbraw/zinc/18/70/18/456187018.db2.gz IWDRECZKOLBGOZ-MRXNPFEDSA-N 1 0 328.412 3.449 20 10 EGCDRO C[C@H](CO)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000273141687 456191351 /nfs/dbraw/zinc/19/13/51/456191351.db2.gz FCBSLPSAZFDNIZ-INIZCTEOSA-N 1 0 329.440 3.469 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)O1 ZINC000297361091 456197850 /nfs/dbraw/zinc/19/78/50/456197850.db2.gz CASNJHHRNVONFK-QFBILLFUSA-N 1 0 332.488 3.301 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(N2CCCCC2)cc1 ZINC000297405886 456212543 /nfs/dbraw/zinc/21/25/43/456212543.db2.gz SWRLXEIEPACMKY-ICSRJNTNSA-N 1 0 345.531 3.174 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000273344674 456224419 /nfs/dbraw/zinc/22/44/19/456224419.db2.gz AIJFARAYGXGQDY-WBHUJUFNSA-N 1 0 335.831 3.181 20 10 EGCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273439670 456231428 /nfs/dbraw/zinc/23/14/28/456231428.db2.gz YBXYLYNDZKOXSJ-CABCVRRESA-N 1 0 336.476 3.340 20 10 EGCDRO Cc1noc(CCC[NH2+][C@@H](C)c2cc(Br)ccc2O)n1 ZINC000273538295 456237672 /nfs/dbraw/zinc/23/76/72/456237672.db2.gz XTAWJXNSSRECAU-VIFPVBQESA-N 1 0 340.221 3.130 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c(O)c1C ZINC000273545475 456238180 /nfs/dbraw/zinc/23/81/80/456238180.db2.gz ZHCSZOKZVFHSDD-VQIMIIECSA-N 1 0 338.451 3.461 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Br)ccc2O)o1 ZINC000273595147 456241065 /nfs/dbraw/zinc/24/10/65/456241065.db2.gz QJDJQZZDTHXWQF-QMTHXVAHSA-N 1 0 340.217 3.440 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2O)o1 ZINC000273622711 456241277 /nfs/dbraw/zinc/24/12/77/456241277.db2.gz ZLQFHUOHDZXEJP-IINYFYTJSA-N 1 0 340.217 3.440 20 10 EGCDRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000290192030 456263180 /nfs/dbraw/zinc/26/31/80/456263180.db2.gz OJKLOZYFDKUTFQ-XOBRGWDASA-N 1 0 345.439 3.054 20 10 EGCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000282150508 456427792 /nfs/dbraw/zinc/42/77/92/456427792.db2.gz CPVUNTSVOBQRFP-QKFKETGDSA-N 1 0 338.492 3.378 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)cc1 ZINC000282364496 456490151 /nfs/dbraw/zinc/49/01/51/456490151.db2.gz WLIPMNGIOXRCOI-UHFFFAOYSA-N 1 0 339.361 3.379 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000282552248 456549685 /nfs/dbraw/zinc/54/96/85/456549685.db2.gz XHGNZZYOAIJWIW-GOSISDBHSA-N 1 0 330.403 3.360 20 10 EGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000276848592 456598700 /nfs/dbraw/zinc/59/87/00/456598700.db2.gz UMSGUKOCIKKYFX-GOSISDBHSA-N 1 0 330.472 3.449 20 10 EGCDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000282931865 456667326 /nfs/dbraw/zinc/66/73/26/456667326.db2.gz HZYNRQFXIQSPCR-CQSZACIVSA-N 1 0 345.830 3.442 20 10 EGCDRO CO[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000378169202 457381495 /nfs/dbraw/zinc/38/14/95/457381495.db2.gz OBJGFODUSJVZHN-STQMWFEESA-N 1 0 328.403 3.270 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000363910844 457463262 /nfs/dbraw/zinc/46/32/62/457463262.db2.gz WXXNEQSHUDEUGC-OAHLLOKOSA-N 1 0 335.835 3.433 20 10 EGCDRO COc1cc(O)c(C[NH2+]CC2(c3ccccn3)CCC2)cc1OC ZINC000368045332 458007078 /nfs/dbraw/zinc/00/70/78/458007078.db2.gz XXGBHPMPEUIALL-UHFFFAOYSA-N 1 0 328.412 3.016 20 10 EGCDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2cc(F)ccc2O)C1 ZINC000371812032 458084479 /nfs/dbraw/zinc/08/44/79/458084479.db2.gz ZJOAMIFVUIDIAF-UHFFFAOYSA-N 1 0 344.430 3.272 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(OC)ccc3O)CC2)cc1 ZINC000373143615 458409369 /nfs/dbraw/zinc/40/93/69/458409369.db2.gz XROXFPOPNFPNMW-UHFFFAOYSA-N 1 0 342.439 3.168 20 10 EGCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471728068 547950608 /nfs/dbraw/zinc/95/06/08/547950608.db2.gz SWNIDEVRCOMZME-CQSZACIVSA-N 1 0 330.476 3.016 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000730258076 574963263 /nfs/dbraw/zinc/96/32/63/574963263.db2.gz YCQALTOLXPUQHI-AWEZNQCLSA-N 1 0 343.427 3.039 20 10 EGCDRO COc1ccc(C2([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000731678128 575199377 /nfs/dbraw/zinc/19/93/77/575199377.db2.gz GROZPVAAPHQFHJ-UHFFFAOYSA-N 1 0 338.451 3.311 20 10 EGCDRO CN(Cc1cccc2c1OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410567 575268021 /nfs/dbraw/zinc/26/80/21/575268021.db2.gz DMJUIZHZZSYYGW-UHFFFAOYSA-N 1 0 342.439 3.035 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000734654781 575532309 /nfs/dbraw/zinc/53/23/09/575532309.db2.gz YQZWUEQUNURTNP-QGZVFWFLSA-N 1 0 346.519 3.125 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000734687720 575537273 /nfs/dbraw/zinc/53/72/73/575537273.db2.gz SQJDSFFARMIOIV-UHFFFAOYSA-N 1 0 346.519 3.077 20 10 EGCDRO COC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000739923737 576520471 /nfs/dbraw/zinc/52/04/71/576520471.db2.gz XEXVQBSORGCMIS-MRXNPFEDSA-N 1 0 344.430 3.384 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)c2c1 ZINC000066080512 1292106950 /nfs/dbraw/zinc/10/69/50/1292106950.db2.gz YVTWEKPJJJBSID-CQSZACIVSA-N 1 0 342.439 3.032 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCc3ccncc3C)CC2)cc1 ZINC000827802199 1292377839 /nfs/dbraw/zinc/37/78/39/1292377839.db2.gz BYMGPMKHWAHMFD-UHFFFAOYSA-N 1 0 325.456 3.153 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1F ZINC000827901206 1292397152 /nfs/dbraw/zinc/39/71/52/1292397152.db2.gz MTXMNRYICRUABZ-SFHVURJKSA-N 1 0 343.446 3.234 20 10 EGCDRO COC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H](C)O1 ZINC000829113502 1292542413 /nfs/dbraw/zinc/54/24/13/1292542413.db2.gz JJQRRGFWNQMHJG-IEBWSBKVSA-N 1 0 332.488 3.221 20 10 EGCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000831000778 1292799102 /nfs/dbraw/zinc/79/91/02/1292799102.db2.gz GKCVLLMDEZLBFX-MSOLQXFVSA-N 1 0 330.472 3.417 20 10 EGCDRO COCCCOCC[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000091026220 1292809767 /nfs/dbraw/zinc/80/97/67/1292809767.db2.gz AFQOXVSSQIATND-UHFFFAOYSA-N 1 0 333.428 3.039 20 10 EGCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092400495 1292867129 /nfs/dbraw/zinc/86/71/29/1292867129.db2.gz IKKDLSXOPNAOQB-RDJZCZTQSA-N 1 0 348.487 3.308 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](OC)[C@H](C)C3)cc2)CC1 ZINC000831534850 1292878781 /nfs/dbraw/zinc/87/87/81/1292878781.db2.gz SCMPRVDWPWLMPV-OXQOHEQNSA-N 1 0 332.488 3.159 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1F ZINC000093277954 1292913493 /nfs/dbraw/zinc/91/34/93/1292913493.db2.gz VJNIONBVXHDYCI-QGZVFWFLSA-N 1 0 347.478 3.259 20 10 EGCDRO N#Cc1cccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000098173890 1292965659 /nfs/dbraw/zinc/96/56/59/1292965659.db2.gz TUWCCFHFSGWSTI-UHFFFAOYSA-N 1 0 335.451 3.057 20 10 EGCDRO Cc1ccccc1[C@@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273276 1292979782 /nfs/dbraw/zinc/97/97/82/1292979782.db2.gz MOQQDUGFANYUDV-JXFKEZNVSA-N 1 0 339.483 3.371 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1cccc(Cl)c1 ZINC000109992379 1293093557 /nfs/dbraw/zinc/09/35/57/1293093557.db2.gz JUDWCAMIIGPKMK-HNNXBMFYSA-N 1 0 345.874 3.429 20 10 EGCDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2O)c1C ZINC000111235774 1293102074 /nfs/dbraw/zinc/10/20/74/1293102074.db2.gz LJMNXTWTUKCHNW-GOSISDBHSA-N 1 0 329.440 3.189 20 10 EGCDRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235199 1293102441 /nfs/dbraw/zinc/10/24/41/1293102441.db2.gz RHKVMCNMFJXUFX-CYBMUJFWSA-N 1 0 348.393 3.322 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H](OC)C34CCC4)CC2)cc1 ZINC000834559040 1293117415 /nfs/dbraw/zinc/11/74/15/1293117415.db2.gz WWSIARLYUMCFKL-MOPGFXCFSA-N 1 0 330.472 3.211 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N2CCCCCC2)cc1 ZINC000834908940 1293172860 /nfs/dbraw/zinc/17/28/60/1293172860.db2.gz MWPULFVCMPTWEV-OXJNMPFZSA-N 1 0 329.488 3.386 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2)c(O)c1C ZINC000834914303 1293175886 /nfs/dbraw/zinc/17/58/86/1293175886.db2.gz MABWCEAVTMGLEA-DLBZAZTESA-N 1 0 340.467 3.407 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000834915981 1293176091 /nfs/dbraw/zinc/17/60/91/1293176091.db2.gz WDGZRLQTEPCVMO-FMKPAKJESA-N 1 0 338.879 3.395 20 10 EGCDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000835076443 1293202369 /nfs/dbraw/zinc/20/23/69/1293202369.db2.gz QKENEIQKUUQNCA-UHFFFAOYSA-N 1 0 345.512 3.389 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000121301015 1293364612 /nfs/dbraw/zinc/36/46/12/1293364612.db2.gz YTUPGVPBBGLYJA-UHFFFAOYSA-N 1 0 340.467 3.472 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121627689 1293381566 /nfs/dbraw/zinc/38/15/66/1293381566.db2.gz CBJWGZCLQMTMDJ-AQNXPRMDSA-N 1 0 342.483 3.211 20 10 EGCDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122538615 1293416366 /nfs/dbraw/zinc/41/63/66/1293416366.db2.gz WIAPUWNVNYKLKJ-GOEBONIOSA-N 1 0 340.895 3.234 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000153845456 1294030802 /nfs/dbraw/zinc/03/08/02/1294030802.db2.gz UDAGAAGJSNAELM-QGZVFWFLSA-N 1 0 333.476 3.146 20 10 EGCDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000156813932 1294159904 /nfs/dbraw/zinc/15/99/04/1294159904.db2.gz BLLHVUPSMOJCRP-MOPGFXCFSA-N 1 0 345.531 3.438 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1OC ZINC000160288348 1294264021 /nfs/dbraw/zinc/26/40/21/1294264021.db2.gz MRJXQFVRDJVZRV-MRXNPFEDSA-N 1 0 327.424 3.474 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCOC3(C2)CCCCCC3)cc1OC ZINC000160425777 1294267335 /nfs/dbraw/zinc/26/73/35/1294267335.db2.gz DWAXLQNYJSDBMK-UHFFFAOYSA-N 1 0 335.444 3.335 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164219964 1294345173 /nfs/dbraw/zinc/34/51/73/1294345173.db2.gz HHARJUKDJDJIEF-HNNXBMFYSA-N 1 0 348.487 3.046 20 10 EGCDRO C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)C[NH+](C)C ZINC000176013985 1294585094 /nfs/dbraw/zinc/58/50/94/1294585094.db2.gz FZAJBGYKNKGJEO-MRXNPFEDSA-N 1 0 346.519 3.062 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1F ZINC000179369348 1294790676 /nfs/dbraw/zinc/79/06/76/1294790676.db2.gz XYABFEDRQUOGNK-MRXNPFEDSA-N 1 0 336.451 3.257 20 10 EGCDRO O=C(CCC1CCCCC1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179562350 1294803698 /nfs/dbraw/zinc/80/36/98/1294803698.db2.gz IJTRFIJNPJHBLG-UHFFFAOYSA-N 1 0 330.472 3.397 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccccc1O ZINC000179896369 1294837608 /nfs/dbraw/zinc/83/76/08/1294837608.db2.gz AMMMUYXBVKTBPO-LLVKDONJSA-N 1 0 349.228 3.444 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1O ZINC000179956167 1294845657 /nfs/dbraw/zinc/84/56/57/1294845657.db2.gz QELJONLQJBJOTH-IBGZPJMESA-N 1 0 338.451 3.485 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1O ZINC000179956154 1294846475 /nfs/dbraw/zinc/84/64/75/1294846475.db2.gz QELJONLQJBJOTH-LJQANCHMSA-N 1 0 338.451 3.485 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000181923006 1295006654 /nfs/dbraw/zinc/00/66/54/1295006654.db2.gz IMPMDPXLOJJRNN-GOSISDBHSA-N 1 0 327.424 3.234 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 ZINC000182371738 1295040797 /nfs/dbraw/zinc/04/07/97/1295040797.db2.gz RVCLRWQKXHOTEK-ZQIUZPCESA-N 1 0 334.460 3.089 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](c3nccn3C)C3CC3)CC2)cc1 ZINC000183266212 1295108233 /nfs/dbraw/zinc/10/82/33/1295108233.db2.gz RKJMOMDSWSBYKZ-LJQANCHMSA-N 1 0 340.471 3.138 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000183417522 1295117040 /nfs/dbraw/zinc/11/70/40/1295117040.db2.gz PLOZKFQOHCOOGE-ZWKOTPCHSA-N 1 0 339.483 3.254 20 10 EGCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1cc(F)ccc1O ZINC000184858699 1295224869 /nfs/dbraw/zinc/22/48/69/1295224869.db2.gz ARKWFEMVPFBXHE-HNNXBMFYSA-N 1 0 336.451 3.217 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c(O)c1 ZINC000185188479 1295246907 /nfs/dbraw/zinc/24/69/07/1295246907.db2.gz RWUKJDXWSFLWQH-INIZCTEOSA-N 1 0 326.440 3.388 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1O ZINC000186785639 1295350540 /nfs/dbraw/zinc/35/05/40/1295350540.db2.gz QNGYXSDGPSVXIO-GZBFAFLISA-N 1 0 328.250 3.499 20 10 EGCDRO CN1C(=O)CCc2cc(C[NH2+]CCCSc3nccs3)ccc21 ZINC000187250579 1295378105 /nfs/dbraw/zinc/37/81/05/1295378105.db2.gz CXQGWHVMYNCPKA-UHFFFAOYSA-N 1 0 347.509 3.324 20 10 EGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000189375649 1295518877 /nfs/dbraw/zinc/51/88/77/1295518877.db2.gz QDDRLXZNABQABP-OAHLLOKOSA-N 1 0 334.460 3.356 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccnc(Cl)c3)CC2)cc1 ZINC000195410323 1296065626 /nfs/dbraw/zinc/06/56/26/1296065626.db2.gz UYEGDRADARBEDI-UHFFFAOYSA-N 1 0 331.847 3.456 20 10 EGCDRO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000245606156 1296316476 /nfs/dbraw/zinc/31/64/76/1296316476.db2.gz RBMPIHYACAXWFM-RBSFLKMASA-N 1 0 336.451 3.269 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000247112284 1296383177 /nfs/dbraw/zinc/38/31/77/1296383177.db2.gz TXDVDVQDDBFATI-IAGOWNOFSA-N 1 0 339.483 3.498 20 10 EGCDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000262492726 1296635181 /nfs/dbraw/zinc/63/51/81/1296635181.db2.gz AFUUIHSYXZYRSJ-UHFFFAOYSA-N 1 0 325.456 3.193 20 10 EGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268939431 1296703255 /nfs/dbraw/zinc/70/32/55/1296703255.db2.gz ZQXAJOOEZSSHOJ-LSBZLQRGSA-N 1 0 336.451 3.271 20 10 EGCDRO Cc1cccc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000279977783 1296723432 /nfs/dbraw/zinc/72/34/32/1296723432.db2.gz DKLGRSFKNYMBRA-MRXNPFEDSA-N 1 0 343.446 3.259 20 10 EGCDRO C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000872111081 1296737546 /nfs/dbraw/zinc/73/75/46/1296737546.db2.gz YSCFVJLSPCOQBD-GFCCVEGCSA-N 1 0 326.366 3.319 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000872137159 1296762508 /nfs/dbraw/zinc/76/25/08/1296762508.db2.gz OFFKLDYMMRNHCT-LAPQFRIASA-N 1 0 345.439 3.491 20 10 EGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000304060881 1296897785 /nfs/dbraw/zinc/89/77/85/1296897785.db2.gz OWSGYODIUBEVRS-BMIGLBTASA-N 1 0 346.265 3.050 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000311749059 1297109977 /nfs/dbraw/zinc/10/99/77/1297109977.db2.gz ILEOIMFRMHRVHV-PKOBYXMFSA-N 1 0 340.467 3.252 20 10 EGCDRO C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000323957005 1297204126 /nfs/dbraw/zinc/20/41/26/1297204126.db2.gz YPODDHLQCYEAEI-MRXNPFEDSA-N 1 0 338.455 3.255 20 10 EGCDRO C[C@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000326070021 1297232172 /nfs/dbraw/zinc/23/21/72/1297232172.db2.gz LXMQEZGKVCWMNL-QFBILLFUSA-N 1 0 329.488 3.023 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000325916309 1297232257 /nfs/dbraw/zinc/23/22/57/1297232257.db2.gz ZKYRVTOWWTUCDA-AYHJJNSGSA-N 1 0 329.488 3.022 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Cn1cccn1 ZINC000873035203 1297236729 /nfs/dbraw/zinc/23/67/29/1297236729.db2.gz DZIBGXPRWLSZMV-UHFFFAOYSA-N 1 0 349.434 3.165 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000327160754 1297244877 /nfs/dbraw/zinc/24/48/77/1297244877.db2.gz HRWPFBNGNSYPMD-JXFKEZNVSA-N 1 0 339.483 3.437 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000873052018 1297248887 /nfs/dbraw/zinc/24/88/87/1297248887.db2.gz RQEOHOQFCOCDCW-AWEZNQCLSA-N 1 0 344.377 3.037 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](CC(C)C)OC)cc1Cn1cccn1 ZINC000873132586 1297289102 /nfs/dbraw/zinc/28/91/02/1297289102.db2.gz YKTDVQAACBLFCE-SFHVURJKSA-N 1 0 331.460 3.091 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Br)cc(Cl)c1[O-] ZINC000873249314 1297389346 /nfs/dbraw/zinc/38/93/46/1297389346.db2.gz KRPIZDBHEPKMCT-OYNCUSHFSA-N 1 0 333.657 3.196 20 10 EGCDRO CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1[O-] ZINC000873290647 1297412654 /nfs/dbraw/zinc/41/26/54/1297412654.db2.gz BBSVMMUYWGTECN-CJNGLKHVSA-N 1 0 338.879 3.245 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1O ZINC000378778231 1297522307 /nfs/dbraw/zinc/52/23/07/1297522307.db2.gz GEPFQXRCYKPRKO-MRXNPFEDSA-N 1 0 325.836 3.495 20 10 EGCDRO CCOc1cccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000378889195 1297524552 /nfs/dbraw/zinc/52/45/52/1297524552.db2.gz KEUUXAXMEUIOFE-ZDUSSCGKSA-N 1 0 338.448 3.184 20 10 EGCDRO C[C@H](CCNC(=O)Nc1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC000379658871 1297536480 /nfs/dbraw/zinc/53/64/80/1297536480.db2.gz XVKRJIBUMGNZDR-OAHLLOKOSA-N 1 0 326.444 3.301 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382469297 1297560823 /nfs/dbraw/zinc/56/08/23/1297560823.db2.gz OSTDNHRWVXRBCD-GDBMZVCRSA-N 1 0 334.460 3.484 20 10 EGCDRO NC(=O)c1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000725843841 1298372534 /nfs/dbraw/zinc/37/25/34/1298372534.db2.gz GCJWBOUEVBXVEQ-UHFFFAOYSA-N 1 0 332.403 3.448 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)c(O)c1 ZINC000725844969 1298374668 /nfs/dbraw/zinc/37/46/68/1298374668.db2.gz DOLFJPODDZMQGU-UHFFFAOYSA-N 1 0 337.423 3.326 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c(O)c1 ZINC000876551875 1298822660 /nfs/dbraw/zinc/82/26/60/1298822660.db2.gz ZRMSMKYKWLYAGX-UHFFFAOYSA-N 1 0 340.423 3.257 20 10 EGCDRO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 ZINC000876815245 1299009199 /nfs/dbraw/zinc/00/91/99/1299009199.db2.gz VVGPUIGMNXLBAF-LSDHHAIUSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)c(O)c1 ZINC000876925936 1299069138 /nfs/dbraw/zinc/06/91/38/1299069138.db2.gz SIDJXIVDSSLXAX-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3C[C@H]3Cc3ccccc3)cc2)CC1 ZINC000877045137 1299129251 /nfs/dbraw/zinc/12/92/51/1299129251.db2.gz QLOZVODUOKWZHF-KNQAVFIVSA-N 1 0 336.479 3.369 20 10 EGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877046167 1299130837 /nfs/dbraw/zinc/13/08/37/1299130837.db2.gz JPAHCRJHOAXZHZ-CYBMUJFWSA-N 1 0 329.444 3.103 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000877407831 1299285396 /nfs/dbraw/zinc/28/53/96/1299285396.db2.gz BOTVNCCGIRMGOB-UHFFFAOYSA-N 1 0 329.415 3.409 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000749926856 1299301533 /nfs/dbraw/zinc/30/15/33/1299301533.db2.gz OSRWXNHVGJMPQB-INIZCTEOSA-N 1 0 330.815 3.249 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000877476947 1299327821 /nfs/dbraw/zinc/32/78/21/1299327821.db2.gz RGHMYAXBCBWPDM-UHFFFAOYSA-N 1 0 339.844 3.047 20 10 EGCDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877518845 1299361965 /nfs/dbraw/zinc/36/19/65/1299361965.db2.gz WBAUPWCGXMIPMM-FXAWDEMLSA-N 1 0 346.515 3.163 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000877540080 1299382078 /nfs/dbraw/zinc/38/20/78/1299382078.db2.gz ROITUWQRUVHQCH-PMACEKPBSA-N 1 0 344.499 3.037 20 10 EGCDRO CC1(CC(F)(F)F)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877582231 1299412765 /nfs/dbraw/zinc/41/27/65/1299412765.db2.gz NXOLCXBSDQYVJU-UHFFFAOYSA-N 1 0 342.405 3.422 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3COCc4ccccc43)cc2)CC1 ZINC000877592501 1299419705 /nfs/dbraw/zinc/41/97/05/1299419705.db2.gz HWPVIVSSIWPGJO-OAQYLSRUSA-N 1 0 338.451 3.009 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](OC)C3CCCC3)C2)cc1 ZINC000877598335 1299423142 /nfs/dbraw/zinc/42/31/42/1299423142.db2.gz LFFRFOJMQUWWDL-JXFKEZNVSA-N 1 0 332.488 3.316 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1O ZINC000877756455 1299532316 /nfs/dbraw/zinc/53/23/16/1299532316.db2.gz JMBJHNOOBMKFRI-LLVKDONJSA-N 1 0 330.340 3.018 20 10 EGCDRO CCC[N@H+](CCC(=O)NCc1cnc(C)s1)Cc1ccccc1O ZINC000878152713 1299780240 /nfs/dbraw/zinc/78/02/40/1299780240.db2.gz XSUVLRAMILUJRD-UHFFFAOYSA-N 1 0 347.484 3.076 20 10 EGCDRO COC(=O)CC1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000754723869 1300200495 /nfs/dbraw/zinc/20/04/95/1300200495.db2.gz XCUKIUYDGOILIW-UHFFFAOYSA-N 1 0 349.471 3.473 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)c1 ZINC000756097961 1300438064 /nfs/dbraw/zinc/43/80/64/1300438064.db2.gz BKVNVWNWFQBFPN-ZDUSSCGKSA-N 1 0 331.412 3.226 20 10 EGCDRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756379175 1300479687 /nfs/dbraw/zinc/47/96/87/1300479687.db2.gz MCLFJRTZJWAFTI-HNNXBMFYSA-N 1 0 342.439 3.445 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756398339 1300484917 /nfs/dbraw/zinc/48/49/17/1300484917.db2.gz VJLGYYPPTHROLK-QAPCUYQASA-N 1 0 341.451 3.362 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756453669 1300494809 /nfs/dbraw/zinc/49/48/09/1300494809.db2.gz HQMOPNWVLHBDCA-VBQJREDUSA-N 1 0 345.414 3.418 20 10 EGCDRO C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756503746 1300509804 /nfs/dbraw/zinc/50/98/04/1300509804.db2.gz LZPYYMFPHMQJSD-ZJUUUORDSA-N 1 0 333.245 3.285 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)c(O)c1C ZINC000756457766 1300496110 /nfs/dbraw/zinc/49/61/10/1300496110.db2.gz LBNQVYCIHWFWPH-GOEBONIOSA-N 1 0 333.403 3.239 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)c2c1c(F)ccc2O ZINC000756477322 1300501268 /nfs/dbraw/zinc/50/12/68/1300501268.db2.gz AHRYLMOYGSNTNG-AAEUAGOBSA-N 1 0 329.375 3.093 20 10 EGCDRO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc2ccccc2c1O ZINC000756489171 1300504808 /nfs/dbraw/zinc/50/48/08/1300504808.db2.gz GGAOYUSINNLIET-AWEZNQCLSA-N 1 0 345.406 3.372 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)ccc1O ZINC000756656103 1300542398 /nfs/dbraw/zinc/54/23/98/1300542398.db2.gz UHYHHCIWKYVKFQ-IUODEOHRSA-N 1 0 336.863 3.487 20 10 EGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)C(F)(F)F ZINC000756836946 1300573742 /nfs/dbraw/zinc/57/37/42/1300573742.db2.gz ZSKMHSDFVHTZDA-HQJQHLMTSA-N 1 0 342.155 3.383 20 10 EGCDRO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648552 1300647959 /nfs/dbraw/zinc/64/79/59/1300647959.db2.gz SYHYXJZHCYUSOP-HUUCEWRRSA-N 1 0 342.439 3.271 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N1CCc2sccc2C1 ZINC000879648766 1300649205 /nfs/dbraw/zinc/64/92/05/1300649205.db2.gz CUCUJBNBXIZRQH-CHWSQXEVSA-N 1 0 330.453 3.078 20 10 EGCDRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648667 1300649841 /nfs/dbraw/zinc/64/98/41/1300649841.db2.gz YNLVQMVJDBEHDO-CHWSQXEVSA-N 1 0 326.396 3.273 20 10 EGCDRO Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)c3ccccc3O)c2cc1C ZINC000879649086 1300650325 /nfs/dbraw/zinc/65/03/25/1300650325.db2.gz LQBCNMZSLDOOLS-CVEARBPZSA-N 1 0 339.439 3.070 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000757659127 1300705653 /nfs/dbraw/zinc/70/56/53/1300705653.db2.gz WSJRMIBAIGXYTP-GJZGRUSLSA-N 1 0 334.460 3.094 20 10 EGCDRO COc1cc(Br)cc(C[N@H+](C)Cc2ccccn2)c1O ZINC000757889017 1300753362 /nfs/dbraw/zinc/75/33/62/1300753362.db2.gz DDKWYLMHKJROII-UHFFFAOYSA-N 1 0 337.217 3.190 20 10 EGCDRO OC[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)C[C@@H]1c1ccc(F)cc1 ZINC000758528159 1300904420 /nfs/dbraw/zinc/90/44/20/1300904420.db2.gz KAPOQTGQKOEHMC-SJLPKXTDSA-N 1 0 335.806 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1C ZINC000758531111 1300905744 /nfs/dbraw/zinc/90/57/44/1300905744.db2.gz WOAYGRAYBMUBNS-ICSRJNTNSA-N 1 0 329.415 3.399 20 10 EGCDRO Oc1cccc2c1C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C2 ZINC000758547918 1300909234 /nfs/dbraw/zinc/90/92/34/1300909234.db2.gz ZGPLGISBWOCRQG-ZDUSSCGKSA-N 1 0 334.213 3.117 20 10 EGCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 ZINC000758634565 1300928235 /nfs/dbraw/zinc/92/82/35/1300928235.db2.gz WHBAFIGUMPALLM-INIZCTEOSA-N 1 0 337.341 3.464 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000758849109 1300965143 /nfs/dbraw/zinc/96/51/43/1300965143.db2.gz SUNVEVDFBIPATG-KRWDZBQOSA-N 1 0 333.476 3.188 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000760168867 1301229156 /nfs/dbraw/zinc/22/91/56/1301229156.db2.gz CBJWGZCLQMTMDJ-XUVXKRRUSA-N 1 0 342.483 3.211 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1F ZINC000762614168 1301712840 /nfs/dbraw/zinc/71/28/40/1301712840.db2.gz KRFQWXXKQKUXNG-VNQPRFMTSA-N 1 0 326.506 3.361 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764742458 1302126469 /nfs/dbraw/zinc/12/64/69/1302126469.db2.gz IRYJKUNZOGSOFU-BBWFWOEESA-N 1 0 333.520 3.291 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000764840788 1302147503 /nfs/dbraw/zinc/14/75/03/1302147503.db2.gz QTDQZDILURRUIB-HNNXBMFYSA-N 1 0 329.488 3.194 20 10 EGCDRO C[C@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000764948876 1302173817 /nfs/dbraw/zinc/17/38/17/1302173817.db2.gz JEXPEPQUMLCBQH-OTWHNJEPSA-N 1 0 345.531 3.152 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000765254564 1302229246 /nfs/dbraw/zinc/22/92/46/1302229246.db2.gz NNPWJDOTWJXNST-DOTOQJQBSA-N 1 0 341.455 3.141 20 10 EGCDRO COCCCOc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883073871 1302230625 /nfs/dbraw/zinc/23/06/25/1302230625.db2.gz DQMQSBIYMMKFCK-UHFFFAOYSA-N 1 0 337.366 3.376 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000765332123 1302248722 /nfs/dbraw/zinc/24/87/22/1302248722.db2.gz WFRLMUYQZSWSHF-OXJNMPFZSA-N 1 0 332.488 3.379 20 10 EGCDRO C[C@@H](COCC1CC1)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883158467 1302276908 /nfs/dbraw/zinc/27/69/08/1302276908.db2.gz HCSUXOPXNLUJSV-VIFPVBQESA-N 1 0 332.213 3.199 20 10 EGCDRO CSc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000883181199 1302289748 /nfs/dbraw/zinc/28/97/48/1302289748.db2.gz VBKIATFRYTVLMM-UHFFFAOYSA-N 1 0 332.469 3.252 20 10 EGCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765857816 1302340898 /nfs/dbraw/zinc/34/08/98/1302340898.db2.gz GKPXBWYISZTUNX-QUCCMNQESA-N 1 0 345.531 3.438 20 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/nfs/dbraw/zinc/88/49/13/1302884913.db2.gz HQLPRQKKBUUCLF-UHFFFAOYSA-N 1 0 329.444 3.278 20 10 EGCDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440274 1302904130 /nfs/dbraw/zinc/90/41/30/1302904130.db2.gz PWCQWFJMLDNWNC-SFHVURJKSA-N 1 0 331.387 3.368 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCSC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768444363 1302906459 /nfs/dbraw/zinc/90/64/59/1302906459.db2.gz AGMKFWXBUSDPMO-AEFFLSMTSA-N 1 0 343.448 3.108 20 10 EGCDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768452842 1302909013 /nfs/dbraw/zinc/90/90/13/1302909013.db2.gz TWEUKYMBDTVEGW-AEFFLSMTSA-N 1 0 341.407 3.164 20 10 EGCDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1O)OC[C@H]3O)CCC2 ZINC000768449590 1302909999 /nfs/dbraw/zinc/90/99/99/1302909999.db2.gz WQCFROFOUFEJCE-GOEBONIOSA-N 1 0 346.452 3.092 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](CCc1ccc(F)cc1)C1CC1)[C@H](O)CO2 ZINC000768448682 1302910089 /nfs/dbraw/zinc/91/00/89/1302910089.db2.gz VIIMFFXNHSTEDD-LJQANCHMSA-N 1 0 343.398 3.164 20 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/nfs/dbraw/zinc/08/98/00/1303089800.db2.gz ICWZSOKLUHTCPY-CQSZACIVSA-N 1 0 336.233 3.188 20 10 EGCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000769380566 1303102867 /nfs/dbraw/zinc/10/28/67/1303102867.db2.gz KGEAJKUJLKGTNF-MRXNPFEDSA-N 1 0 346.475 3.111 20 10 EGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769465196 1303118577 /nfs/dbraw/zinc/11/85/77/1303118577.db2.gz DIJYBJVMLGODJX-VXGBXAGGSA-N 1 0 327.266 3.069 20 10 EGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769470265 1303119330 /nfs/dbraw/zinc/11/93/30/1303119330.db2.gz KDBVWHINADDOHE-SMDDNHRTSA-N 1 0 341.839 3.258 20 10 EGCDRO COCC[N@H+](CCCOc1ccc(F)cc1)Cc1ccccc1O ZINC000770510863 1303280034 /nfs/dbraw/zinc/28/00/34/1303280034.db2.gz SRNHIYMKEVEIFE-UHFFFAOYSA-N 1 0 333.403 3.449 20 10 EGCDRO C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1c([O-])cccc1F ZINC000886636706 1303534247 /nfs/dbraw/zinc/53/42/47/1303534247.db2.gz SPRLPGWHIWLLCA-HNNXBMFYSA-N 1 0 343.446 3.489 20 10 EGCDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747382 1303583074 /nfs/dbraw/zinc/58/30/74/1303583074.db2.gz RUWOLSRRAMVLRL-HZPDHXFCSA-N 1 0 343.515 3.303 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H](C)C1 ZINC000886749443 1303583493 /nfs/dbraw/zinc/58/34/93/1303583493.db2.gz SOOSJNSGJNEKHM-JXXFODFXSA-N 1 0 343.515 3.303 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000772983785 1303601367 /nfs/dbraw/zinc/60/13/67/1303601367.db2.gz LYCGZCQWGIETHJ-LBPRGKRZSA-N 1 0 326.396 3.136 20 10 EGCDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1=O ZINC000773006551 1303606205 /nfs/dbraw/zinc/60/62/05/1303606205.db2.gz LWGBRYSNADGRLQ-FUHWJXTLSA-N 1 0 329.488 3.337 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773097948 1303624246 /nfs/dbraw/zinc/62/42/46/1303624246.db2.gz WORSDFBHAUXDCX-ZDUSSCGKSA-N 1 0 333.382 3.047 20 10 EGCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773291303 1303655988 /nfs/dbraw/zinc/65/59/88/1303655988.db2.gz JCZJRYRJQDAOGB-AEFFLSMTSA-N 1 0 346.519 3.377 20 10 EGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000773329235 1303663031 /nfs/dbraw/zinc/66/30/31/1303663031.db2.gz ZNDXODXDDPSTRO-HXUWFJFHSA-N 1 0 342.439 3.352 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1F ZINC000773426801 1303679185 /nfs/dbraw/zinc/67/91/85/1303679185.db2.gz HMSWEPOSSSTFKB-INIZCTEOSA-N 1 0 336.451 3.447 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1 ZINC000773765188 1303737671 /nfs/dbraw/zinc/73/76/71/1303737671.db2.gz IRWMCTIXTCGOEW-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000775200356 1303923630 /nfs/dbraw/zinc/92/36/30/1303923630.db2.gz JMULHKOGIAMYJD-IBGZPJMESA-N 1 0 335.444 3.202 20 10 EGCDRO Cc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1O ZINC000775199433 1303924209 /nfs/dbraw/zinc/92/42/09/1303924209.db2.gz IRFZMHFBHOYRKQ-GOSISDBHSA-N 1 0 329.440 3.351 20 10 EGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775206024 1303925310 /nfs/dbraw/zinc/92/53/10/1303925310.db2.gz UBKPQNKTLALAIN-KRWDZBQOSA-N 1 0 338.404 3.090 20 10 EGCDRO CCN1C[C@@H](C[N@H+](C)Cc2cc(OC)ccc2O)Oc2ccccc21 ZINC000775647670 1304003705 /nfs/dbraw/zinc/00/37/05/1304003705.db2.gz XUHDFIUBDPBFHG-QGZVFWFLSA-N 1 0 342.439 3.120 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000775834357 1304046356 /nfs/dbraw/zinc/04/63/56/1304046356.db2.gz SIAIQCCJFNBUKH-DNVCBOLYSA-N 1 0 339.439 3.429 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2OC)[C@H]1Oc1ccccc1 ZINC000776007190 1304078511 /nfs/dbraw/zinc/07/85/11/1304078511.db2.gz MDYAJZYZYRUHFN-PWIZWCRZSA-N 1 0 343.423 3.115 20 10 EGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776217963 1304115741 /nfs/dbraw/zinc/11/57/41/1304115741.db2.gz CSYMZIQHCGAQCI-YGRLFVJLSA-N 1 0 330.266 3.350 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000776223228 1304116942 /nfs/dbraw/zinc/11/69/42/1304116942.db2.gz RLRVVQLIYMRHCU-LSDHHAIUSA-N 1 0 340.414 3.273 20 10 EGCDRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000776242884 1304119822 /nfs/dbraw/zinc/11/98/22/1304119822.db2.gz BJNAUAGUAFYLTR-VQIMIIECSA-N 1 0 344.503 3.083 20 10 EGCDRO C[C@H](C1CC1)n1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000778189672 1304412948 /nfs/dbraw/zinc/41/29/48/1304412948.db2.gz SXUZURNSHIGSII-MRXNPFEDSA-N 1 0 339.487 3.218 20 10 EGCDRO O=C(NC1CC[NH+](Cc2cc(F)ccc2O)CC1)c1ccc(F)cc1 ZINC000778996499 1304516398 /nfs/dbraw/zinc/51/63/98/1304516398.db2.gz RNDHQEVIBZMVLS-UHFFFAOYSA-N 1 0 346.377 3.065 20 10 EGCDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779036447 1304521509 /nfs/dbraw/zinc/52/15/09/1304521509.db2.gz OIQWPCYPGJGHJA-RYUDHWBXSA-N 1 0 346.265 3.165 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)ncn1 ZINC000779038169 1304522110 /nfs/dbraw/zinc/52/21/10/1304522110.db2.gz JUSNDEYTEJJJPF-LLVKDONJSA-N 1 0 336.233 3.412 20 10 EGCDRO COc1ccc(C2([NH2+]Cc3cc(F)ccc3O)CCOCC2)cc1 ZINC000779081380 1304526742 /nfs/dbraw/zinc/52/67/42/1304526742.db2.gz URLCWOGAFVCIHU-UHFFFAOYSA-N 1 0 331.387 3.335 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1(C(=O)OC)CCC1 ZINC000779345299 1304559893 /nfs/dbraw/zinc/55/98/93/1304559893.db2.gz PIGNKTCDXBQDNU-GOSISDBHSA-N 1 0 330.472 3.281 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1O ZINC000779985376 1304628762 /nfs/dbraw/zinc/62/87/62/1304628762.db2.gz COTPYSZUYWDOMD-GHMZBOCLSA-N 1 0 344.249 3.068 20 10 EGCDRO Cc1cc(O)c(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1C(C)C ZINC000780480097 1304698162 /nfs/dbraw/zinc/69/81/62/1304698162.db2.gz KQINTGHZUTZRFT-INIZCTEOSA-N 1 0 334.504 3.101 20 10 EGCDRO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000780714090 1304728471 /nfs/dbraw/zinc/72/84/71/1304728471.db2.gz MPUZHAGVSKIOHZ-HNNXBMFYSA-N 1 0 343.446 3.471 20 10 EGCDRO Cc1oc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891252069 1305000847 /nfs/dbraw/zinc/00/08/47/1305000847.db2.gz FRLXJCPWBLQTSI-GOSISDBHSA-N 1 0 343.471 3.304 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000891806025 1305173020 /nfs/dbraw/zinc/17/30/20/1305173020.db2.gz UWAGMSYVIJBXEN-KBXCAEBGSA-N 1 0 343.423 3.371 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@H]3C[C@H](C)c4c3c(O)ccc4F)CC2)n[nH]1 ZINC000784056409 1305183827 /nfs/dbraw/zinc/18/38/27/1305183827.db2.gz LLIYUALDVFWCDK-NHYWBVRUSA-N 1 0 344.434 3.370 20 10 EGCDRO COc1ccc(CNc2ccc(C[NH+](C)C)c(F)c2)c(O)c1OC ZINC000892389697 1305348316 /nfs/dbraw/zinc/34/83/16/1305348316.db2.gz WRBYFCUNJHIKFQ-UHFFFAOYSA-N 1 0 334.391 3.222 20 10 EGCDRO CCOCc1ccccc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892515832 1305418440 /nfs/dbraw/zinc/41/84/40/1305418440.db2.gz ZKZPKQZRWCEWKH-UHFFFAOYSA-N 1 0 331.412 3.236 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)c(O)c1OC ZINC000892951031 1305623418 /nfs/dbraw/zinc/62/34/18/1305623418.db2.gz QPIGRGFSRZBGSV-CQSZACIVSA-N 1 0 327.424 3.304 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786780822 1305627953 /nfs/dbraw/zinc/62/79/53/1305627953.db2.gz AJKMJYXIDQVNOS-OAHLLOKOSA-N 1 0 338.455 3.133 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)Oc2ccc(C)cc2)c(O)c1OC ZINC000893087427 1305698488 /nfs/dbraw/zinc/69/84/88/1305698488.db2.gz VOMVGSCBAZYHLP-AWEZNQCLSA-N 1 0 331.412 3.275 20 10 EGCDRO C[C@H]([NH2+]CCOCC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000788259603 1305909568 /nfs/dbraw/zinc/90/95/68/1305909568.db2.gz NKMQKMMZSWTLKY-LBPRGKRZSA-N 1 0 348.821 3.109 20 10 EGCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000788542096 1305967539 /nfs/dbraw/zinc/96/75/39/1305967539.db2.gz JYODGTCELUKGTF-LJQANCHMSA-N 1 0 344.528 3.251 20 10 EGCDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H](O)c1ccccc1 ZINC000894142601 1306242985 /nfs/dbraw/zinc/24/29/85/1306242985.db2.gz AWOAYQJKGMEPAZ-AEFFLSMTSA-N 1 0 345.439 3.401 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1O ZINC000894158023 1306251771 /nfs/dbraw/zinc/25/17/71/1306251771.db2.gz MKNZXLUMJLBLNW-UHFFFAOYSA-N 1 0 349.814 3.424 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1O ZINC000894186092 1306267384 /nfs/dbraw/zinc/26/73/84/1306267384.db2.gz IBLNEXCAXDYQKJ-CYBMUJFWSA-N 1 0 340.423 3.445 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c1O ZINC000894202840 1306273681 /nfs/dbraw/zinc/27/36/81/1306273681.db2.gz MUNZMJOSUCWDBK-HNNXBMFYSA-N 1 0 344.430 3.464 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(OCC3CC3)nc2)c1O ZINC000894216167 1306283973 /nfs/dbraw/zinc/28/39/73/1306283973.db2.gz IXXPLZSTEWIVIN-UHFFFAOYSA-N 1 0 328.412 3.183 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790460771 1306330160 /nfs/dbraw/zinc/33/01/60/1306330160.db2.gz PQUSRDIGNVSNIL-MRXNPFEDSA-N 1 0 330.472 3.195 20 10 EGCDRO C[N@H+](CCc1ccccn1)Cc1cc(Br)cc(F)c1[O-] ZINC000894448061 1308895394 /nfs/dbraw/zinc/89/53/94/1308895394.db2.gz ADJJRASWSQODGQ-UHFFFAOYSA-N 1 0 339.208 3.363 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c(O)c1OC ZINC000894743036 1309047595 /nfs/dbraw/zinc/04/75/95/1309047595.db2.gz XPRMSBSTHOMMOF-CQSZACIVSA-N 1 0 334.243 3.473 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CCO[C@H]2CCCCO2)c1O ZINC000894797861 1309076961 /nfs/dbraw/zinc/07/69/61/1309076961.db2.gz AJPOTFHFQMIDOY-AWEZNQCLSA-N 1 0 344.249 3.096 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1O ZINC000894845539 1309097154 /nfs/dbraw/zinc/09/71/54/1309097154.db2.gz CBBLCXREQAFWEJ-OAHLLOKOSA-N 1 0 330.403 3.217 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C)c(C(F)(F)F)c1 ZINC000792919887 1309259666 /nfs/dbraw/zinc/25/96/66/1309259666.db2.gz NFIZQZUHJCGAJN-INIZCTEOSA-N 1 0 329.410 3.201 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCSc2nccs2)[C@H]1C ZINC000792991722 1309278425 /nfs/dbraw/zinc/27/84/25/1309278425.db2.gz INJHQSMKNCMNOW-AVGNSLFASA-N 1 0 328.503 3.193 20 10 EGCDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793019642 1309282519 /nfs/dbraw/zinc/28/25/19/1309282519.db2.gz SWRYPEGULCCJEZ-YVEFUNNKSA-N 1 0 341.421 3.344 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1OC ZINC000793080902 1309293383 /nfs/dbraw/zinc/29/33/83/1309293383.db2.gz XCGZYXJXQSHEIT-ARFHVFGLSA-N 1 0 346.393 3.053 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000895349821 1309294035 /nfs/dbraw/zinc/29/40/35/1309294035.db2.gz JDWXSWFGZILGKE-ZDUSSCGKSA-N 1 0 338.448 3.054 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC2(N(C)C)CCC2)c(C(F)(F)F)c1 ZINC000793160571 1309307775 /nfs/dbraw/zinc/30/77/75/1309307775.db2.gz SVAPDFGLEUYRJI-UHFFFAOYSA-N 1 0 329.410 3.345 20 10 EGCDRO CCCOc1cc(C[NH2+]Cc2ccc(OC)cc2O)ccc1OC ZINC000793389055 1309361145 /nfs/dbraw/zinc/36/11/45/1309361145.db2.gz UOUJSKZKVUGWPN-UHFFFAOYSA-N 1 0 331.412 3.488 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C(C)(C)C ZINC000895814798 1309532178 /nfs/dbraw/zinc/53/21/78/1309532178.db2.gz UTSOYNNGPIDIOM-OAHLLOKOSA-N 1 0 331.504 3.160 20 10 EGCDRO COc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(O)cc1C ZINC000795644224 1309797431 /nfs/dbraw/zinc/79/74/31/1309797431.db2.gz KNVRUEIKULMKQI-UHFFFAOYSA-N 1 0 330.384 3.292 20 10 EGCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795708182 1309813501 /nfs/dbraw/zinc/81/35/01/1309813501.db2.gz SAKVSWBZRAADOT-PBHICJAKSA-N 1 0 332.488 3.454 20 10 EGCDRO O[C@@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796359472 1309976632 /nfs/dbraw/zinc/97/66/32/1309976632.db2.gz FBBUCUJDBRWPGR-TZIWHRDSSA-N 1 0 336.479 3.500 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CC2CCN(C(=O)OC)CC2)cc1 ZINC000796499796 1310014963 /nfs/dbraw/zinc/01/49/63/1310014963.db2.gz FENLIBLPVNPXBQ-UHFFFAOYSA-N 1 0 333.476 3.101 20 10 EGCDRO Fc1cc(C[NH2+][C@H]2CCCc3cccnc32)ccc1N1CCOCC1 ZINC000798926855 1310459202 /nfs/dbraw/zinc/45/92/02/1310459202.db2.gz NBLXNHXEXMGXCD-SFHVURJKSA-N 1 0 341.430 3.225 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C2(CN(C)C)CCC2)c1O ZINC000798960522 1310465318 /nfs/dbraw/zinc/46/53/18/1310465318.db2.gz HSTXHGPRLRNVSC-UHFFFAOYSA-N 1 0 327.266 3.037 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c(O)cc1C ZINC000799153081 1310493543 /nfs/dbraw/zinc/49/35/43/1310493543.db2.gz BZPSQMLOSBICHP-RNJTYBCJSA-N 1 0 333.472 3.471 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000799577169 1310580655 /nfs/dbraw/zinc/58/06/55/1310580655.db2.gz OBGPPGAVAHGECA-AFBRZQFHSA-N 1 0 345.439 3.291 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CCOC2CCSCC2)c1O ZINC000898438544 1310734868 /nfs/dbraw/zinc/73/48/68/1310734868.db2.gz BDSMYQIPCHAOEG-UHFFFAOYSA-N 1 0 331.865 3.056 20 10 EGCDRO CCOC1CCC([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898447374 1310739541 /nfs/dbraw/zinc/73/95/41/1310739541.db2.gz IQVLRMXAQLQYTG-UUKMXZOPSA-N 1 0 333.520 3.293 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1 ZINC000823459346 1320180870 /nfs/dbraw/zinc/18/08/70/1320180870.db2.gz RSNBWCYUQOKDKU-SFHVURJKSA-N 1 0 343.496 3.047 20 10 EGCDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000824576646 1320267234 /nfs/dbraw/zinc/26/72/34/1320267234.db2.gz PYWIHQWWYYESFH-IBGZPJMESA-N 1 0 347.459 3.444 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000824596189 1320268415 /nfs/dbraw/zinc/26/84/15/1320268415.db2.gz CGGLVWPQMKMYLZ-LBPRGKRZSA-N 1 0 336.233 3.257 20 10 EGCDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226256 1328525059 /nfs/dbraw/zinc/52/50/59/1328525059.db2.gz JGOPFFBCXOEEEH-GHTZIAJQSA-N 1 0 338.451 3.284 20 10 EGCDRO COc1cc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)ccc1F ZINC000801964484 1316972624 /nfs/dbraw/zinc/97/26/24/1316972624.db2.gz RVUYOFBDUDGTCA-UHFFFAOYSA-N 1 0 343.446 3.223 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1F ZINC000858093914 1328680169 /nfs/dbraw/zinc/68/01/69/1328680169.db2.gz JYYGCVDHPWULFX-UHFFFAOYSA-N 1 0 346.425 3.316 20 10 EGCDRO CCc1ccoc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019337316 1317174341 /nfs/dbraw/zinc/17/43/41/1317174341.db2.gz DYRFOUGXIKPSJI-KRWDZBQOSA-N 1 0 342.439 3.163 20 10 EGCDRO CSc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000804609914 1317266008 /nfs/dbraw/zinc/26/60/08/1317266008.db2.gz KYYLXZFCFWGTBC-UHFFFAOYSA-N 1 0 328.485 3.167 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Br)c1cccs1 ZINC000858142770 1328694790 /nfs/dbraw/zinc/69/47/90/1328694790.db2.gz LVXLFZZZSCBEQB-CQSZACIVSA-N 1 0 342.258 3.214 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806179118 1317469704 /nfs/dbraw/zinc/46/97/04/1317469704.db2.gz PFZCZJJPOGNRFM-GJZGRUSLSA-N 1 0 338.492 3.456 20 10 EGCDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccccc1O)[NH+](C)C ZINC000806644335 1317515899 /nfs/dbraw/zinc/51/58/99/1317515899.db2.gz XZMHJIARLBFLFR-BEFAXECRSA-N 1 0 341.455 3.191 20 10 EGCDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000902756291 1317612807 /nfs/dbraw/zinc/61/28/07/1317612807.db2.gz XCFHVMISMYSHKG-IRXDYDNUSA-N 1 0 336.451 3.100 20 10 EGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808193515 1317642777 /nfs/dbraw/zinc/64/27/77/1317642777.db2.gz WTKJOYDUFHYBLR-WMLDXEAASA-N 1 0 332.488 3.454 20 10 EGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000903164392 1317666552 /nfs/dbraw/zinc/66/65/52/1317666552.db2.gz MYVJDWAPMQIBJC-SNVBAGLBSA-N 1 0 331.313 3.406 20 10 EGCDRO CN(C)C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(F)cc1 ZINC000808426141 1317675729 /nfs/dbraw/zinc/67/57/29/1317675729.db2.gz PPCJWNXSDDNXBT-GOSISDBHSA-N 1 0 333.426 3.423 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c1O ZINC000903238731 1317679508 /nfs/dbraw/zinc/67/95/08/1317679508.db2.gz VANQNGRQNGDOJH-LBPRGKRZSA-N 1 0 336.432 3.109 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000808454849 1317680444 /nfs/dbraw/zinc/68/04/44/1317680444.db2.gz UCOGDADMZLWCTD-UYAOXDASSA-N 1 0 326.440 3.117 20 10 EGCDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000903393161 1317695761 /nfs/dbraw/zinc/69/57/61/1317695761.db2.gz HWDVSTOFEXBWKN-LPHOPBHVSA-N 1 0 329.488 3.338 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)N(C)C)cc1 ZINC000903447842 1317700748 /nfs/dbraw/zinc/70/07/48/1317700748.db2.gz CZBYYUAHHLANNS-RBUKOAKNSA-N 1 0 339.483 3.338 20 10 EGCDRO Cc1cncc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903447819 1317701229 /nfs/dbraw/zinc/70/12/29/1317701229.db2.gz CVOSCMKPFDVVPL-UZLBHIALSA-N 1 0 326.488 3.410 20 10 EGCDRO Cc1ncc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000903447640 1317701236 /nfs/dbraw/zinc/70/12/36/1317701236.db2.gz AICBCLJQIYGQAA-SUMWQHHRSA-N 1 0 332.517 3.471 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)c1ccc(N(C)C)cc1 ZINC000808723410 1317722849 /nfs/dbraw/zinc/72/28/49/1317722849.db2.gz MSZOMEXWPIYPRR-AYWYSENESA-N 1 0 343.515 3.440 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(C)c(C)c3O)[C@H]2C1 ZINC000808723709 1317723362 /nfs/dbraw/zinc/72/33/62/1317723362.db2.gz PQGGXUMGJYVHHN-XIVBQZFQSA-N 1 0 330.472 3.307 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)CCC(N)=O)cc1 ZINC000809713867 1317872930 /nfs/dbraw/zinc/87/29/30/1317872930.db2.gz OBMPXCWMNTWWRE-UHFFFAOYSA-N 1 0 325.456 3.020 20 10 EGCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Br)ccc1O ZINC000809724456 1317878708 /nfs/dbraw/zinc/87/87/08/1317878708.db2.gz KSOHSRBRAKCZQP-WFASDCNBSA-N 1 0 339.277 3.213 20 10 EGCDRO CN(C)c1ccc(CN(C)CC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000809737013 1317884120 /nfs/dbraw/zinc/88/41/20/1317884120.db2.gz BDKTYRVRSIFFMX-UHFFFAOYSA-N 1 0 329.410 3.299 20 10 EGCDRO CSC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC[NH+](C)CC1 ZINC000810170501 1317967679 /nfs/dbraw/zinc/96/76/79/1317967679.db2.gz LTQFYGQLFCVCED-UHFFFAOYSA-N 1 0 332.872 3.102 20 10 EGCDRO CC[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810215571 1317978032 /nfs/dbraw/zinc/97/80/32/1317978032.db2.gz HBJZABNKEIGBKA-SWLSCSKDSA-N 1 0 346.393 3.172 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(C(F)(F)F)cc1O ZINC000810227878 1317981292 /nfs/dbraw/zinc/98/12/92/1317981292.db2.gz LYJYVRAQIQWJDF-PJODQICGSA-N 1 0 346.393 3.171 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810238916 1317983506 /nfs/dbraw/zinc/98/35/06/1317983506.db2.gz UBYDXJAIYZLWNN-MWLCHTKSSA-N 1 0 327.293 3.468 20 10 EGCDRO CC[C@@]1(C[NH2+]Cc2cc(OC)ccc2O)OCCc2ccccc21 ZINC000811509777 1318188587 /nfs/dbraw/zinc/18/85/87/1318188587.db2.gz DFWFMQTVQBMOIJ-FQEVSTJZSA-N 1 0 327.424 3.369 20 10 EGCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000811906076 1318288487 /nfs/dbraw/zinc/28/84/87/1318288487.db2.gz QJTHEJJMFMOXAV-HZPDHXFCSA-N 1 0 334.508 3.233 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)cc1C ZINC000812782691 1318454026 /nfs/dbraw/zinc/45/40/26/1318454026.db2.gz DMTPCBMHWKLAQS-HNNXBMFYSA-N 1 0 328.387 3.038 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2CC(F)F)c2c1c(F)ccc2O ZINC000858478890 1328774705 /nfs/dbraw/zinc/77/47/05/1328774705.db2.gz DDVLYSRKUZEQLO-WZRBSPASSA-N 1 0 328.378 3.399 20 10 EGCDRO Cc1ccc(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c(O)c1O ZINC000813637300 1318612374 /nfs/dbraw/zinc/61/23/74/1318612374.db2.gz LCOGJVGGRQJZEH-UHFFFAOYSA-N 1 0 346.471 3.277 20 10 EGCDRO CCC(CC)(C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000813792965 1318633594 /nfs/dbraw/zinc/63/35/94/1318633594.db2.gz FJEJXNMPDSCXJY-UHFFFAOYSA-N 1 0 346.265 3.458 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3C=CCCC3)C2)cc1C ZINC001022270820 1318866774 /nfs/dbraw/zinc/86/67/74/1318866774.db2.gz VABMUOASLKIWNY-QRQLOZEOSA-N 1 0 342.483 3.487 20 10 EGCDRO CCc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)o1 ZINC001022297158 1318884773 /nfs/dbraw/zinc/88/47/73/1318884773.db2.gz RHKBYOFWUNXAKV-IYBDPMFKSA-N 1 0 342.439 3.210 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1C ZINC001022323265 1318891152 /nfs/dbraw/zinc/89/11/52/1318891152.db2.gz BQFOSZVXRSEXRB-FQBWVUSXSA-N 1 0 342.483 3.177 20 10 EGCDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000815160366 1318916625 /nfs/dbraw/zinc/91/66/25/1318916625.db2.gz XWGYNXPDTPMKEI-LRDDRELGSA-N 1 0 330.394 3.412 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC001022453353 1318947361 /nfs/dbraw/zinc/94/73/61/1318947361.db2.gz IMEZFDVPGFAGCS-OKYOBFRVSA-N 1 0 342.483 3.177 20 10 EGCDRO C[C@@H]([NH2+]CCN(C)CC(F)F)c1cc(Br)ccc1O ZINC000858597438 1328805696 /nfs/dbraw/zinc/80/56/96/1328805696.db2.gz QGMAXCDZDJUBPA-SECBINFHSA-N 1 0 337.208 3.002 20 10 EGCDRO CC[C@]1(C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022913407 1319163567 /nfs/dbraw/zinc/16/35/67/1319163567.db2.gz NCANMYLQKJQHLW-PFRQMTDMSA-N 1 0 330.472 3.177 20 10 EGCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816515613 1319171539 /nfs/dbraw/zinc/17/15/39/1319171539.db2.gz FOSALRYRARJEMM-KGLIPLIRSA-N 1 0 342.842 3.406 20 10 EGCDRO Oc1c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)ccc2ccccc21 ZINC000816592628 1319190487 /nfs/dbraw/zinc/19/04/87/1319190487.db2.gz PEMMMAAZGISGCT-LJQANCHMSA-N 1 0 337.423 3.214 20 10 EGCDRO NC(=O)CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000817586214 1319405798 /nfs/dbraw/zinc/40/57/98/1319405798.db2.gz MEXUUGRDGVUADG-SFHVURJKSA-N 1 0 338.451 3.311 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000817586526 1319407793 /nfs/dbraw/zinc/40/77/93/1319407793.db2.gz PHBUDCYAKMUCQI-RBSFLKMASA-N 1 0 330.472 3.213 20 10 EGCDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897973 1319455306 /nfs/dbraw/zinc/45/53/06/1319455306.db2.gz YEPCWSWSWDVFAT-PKOBYXMFSA-N 1 0 345.531 3.312 20 10 EGCDRO CC(=O)Nc1cccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939123 1319465886 /nfs/dbraw/zinc/46/58/86/1319465886.db2.gz ZIJNBXRPIDFDLG-VBKZILBWSA-N 1 0 340.471 3.062 20 10 EGCDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938889 1319466963 /nfs/dbraw/zinc/46/69/63/1319466963.db2.gz VASHOIXSYWCZJE-SFTDATJTSA-N 1 0 339.483 3.428 20 10 EGCDRO Cc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000817938084 1319467384 /nfs/dbraw/zinc/46/73/84/1319467384.db2.gz DCEIKTPFCKXGDM-KDOFPFPSSA-N 1 0 342.443 3.320 20 10 EGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000817939537 1319468229 /nfs/dbraw/zinc/46/82/29/1319468229.db2.gz CKNQBUAOZXMVCM-KXBFYZLASA-N 1 0 326.488 3.169 20 10 EGCDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940552 1319468311 /nfs/dbraw/zinc/46/83/11/1319468311.db2.gz JUMWDMIEZZTDPU-FOIQADDNSA-N 1 0 327.472 3.420 20 10 EGCDRO Cc1c([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940766 1319469205 /nfs/dbraw/zinc/46/92/05/1319469205.db2.gz HSQJJYZOLPSFDT-AUUYWEPGSA-N 1 0 343.519 3.363 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CN)CC(C)C)c1O ZINC000817960354 1319477951 /nfs/dbraw/zinc/47/79/51/1319477951.db2.gz YEQFUMLLUJBISM-AAEUAGOBSA-N 1 0 329.282 3.487 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817965595 1319479979 /nfs/dbraw/zinc/47/99/79/1319479979.db2.gz ASKKIUCPYRWNEJ-ZUZCIYMTSA-N 1 0 345.256 3.334 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)cc(F)c1[O-] ZINC000817970325 1319481486 /nfs/dbraw/zinc/48/14/86/1319481486.db2.gz RKGLKSMXGXHXOL-GDPRMGEGSA-N 1 0 331.229 3.214 20 10 EGCDRO C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817983825 1319485433 /nfs/dbraw/zinc/48/54/33/1319485433.db2.gz RIKPFKWOMMUXFA-SUMWQHHRSA-N 1 0 329.400 3.431 20 10 EGCDRO C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817983822 1319485484 /nfs/dbraw/zinc/48/54/84/1319485484.db2.gz RIKPFKWOMMUXFA-CXAGYDPISA-N 1 0 329.400 3.431 20 10 EGCDRO C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817986850 1319487008 /nfs/dbraw/zinc/48/70/08/1319487008.db2.gz USPIPJZFBJAJGM-JTQLQIEISA-N 1 0 343.240 3.254 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C3(OC)CCCC3)C2)cc1 ZINC000818341994 1319530456 /nfs/dbraw/zinc/53/04/56/1319530456.db2.gz JXZBSPHOHRMJMD-IRXDYDNUSA-N 1 0 332.488 3.459 20 10 EGCDRO CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000818345529 1319531488 /nfs/dbraw/zinc/53/14/88/1319531488.db2.gz VYOALSWWYNPPAX-CVEARBPZSA-N 1 0 328.460 3.089 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)Nc2cc(C)on2)cc1F ZINC000819041090 1319620038 /nfs/dbraw/zinc/62/00/38/1319620038.db2.gz FLHRVDUIUQVQDU-UHFFFAOYSA-N 1 0 348.422 3.087 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)Cc1cccc(Cl)c1 ZINC000819096141 1319632935 /nfs/dbraw/zinc/63/29/35/1319632935.db2.gz XCWGTZNZMVFEAR-FQEVSTJZSA-N 1 0 342.870 3.409 20 10 EGCDRO CC(C)[N@H+](CC(=O)N1CCC(C)CC1)Cc1ccc(N(C)C)cc1 ZINC000917074842 1319750158 /nfs/dbraw/zinc/75/01/58/1319750158.db2.gz HRSMJSINCAEKIC-UHFFFAOYSA-N 1 0 331.504 3.222 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1O ZINC000819902136 1319796655 /nfs/dbraw/zinc/79/66/55/1319796655.db2.gz BRZJILBGHXMLBB-IBGZPJMESA-N 1 0 331.456 3.490 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000820503027 1319900421 /nfs/dbraw/zinc/90/04/21/1319900421.db2.gz DQECICIGNSYLJS-HUUCEWRRSA-N 1 0 331.485 3.320 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000823666822 1320196673 /nfs/dbraw/zinc/19/66/73/1320196673.db2.gz SZXFCQDIKYHOQP-KRWDZBQOSA-N 1 0 332.513 3.431 20 10 EGCDRO CCCNC(=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823691646 1320198576 /nfs/dbraw/zinc/19/85/76/1320198576.db2.gz UBPKOTOJTZDTFK-UHFFFAOYSA-N 1 0 345.512 3.390 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccncc2F)C1 ZINC000823860319 1320212345 /nfs/dbraw/zinc/21/23/45/1320212345.db2.gz CTXFOOOEJYLKOW-INIZCTEOSA-N 1 0 349.837 3.334 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC[S@](C)=O)cc1 ZINC000823914240 1320216023 /nfs/dbraw/zinc/21/60/23/1320216023.db2.gz BWCNLOACRYGZAE-QFIPXVFZSA-N 1 0 336.526 3.243 20 10 EGCDRO Fc1cc(C[NH2+]C[C@H]2CCCC2(F)F)ccc1N1CCOCC1 ZINC000824800104 1320285409 /nfs/dbraw/zinc/28/54/09/1320285409.db2.gz TWRFTBKRLWTUMU-CQSZACIVSA-N 1 0 328.378 3.187 20 10 EGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2[O-])C[C@H]1C ZINC000824855921 1320291706 /nfs/dbraw/zinc/29/17/06/1320291706.db2.gz SAIHTHCMAALNQU-IUODEOHRSA-N 1 0 341.293 3.459 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000824955198 1320299511 /nfs/dbraw/zinc/29/95/11/1320299511.db2.gz UZTLODRNENCYPG-RFUYNDQBSA-N 1 0 328.412 3.367 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000824955203 1320299700 /nfs/dbraw/zinc/29/97/00/1320299700.db2.gz UZTLODRNENCYPG-ZUEVXXBESA-N 1 0 328.412 3.367 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1C ZINC000825118529 1320312568 /nfs/dbraw/zinc/31/25/68/1320312568.db2.gz UAWPZZCJTKBNDA-NEWSRXKRSA-N 1 0 343.471 3.492 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1C ZINC000825118909 1320313014 /nfs/dbraw/zinc/31/30/14/1320313014.db2.gz YUZAUVWDWRBRSR-NZSAHSFTSA-N 1 0 343.471 3.487 20 10 EGCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000825196716 1320317478 /nfs/dbraw/zinc/31/74/78/1320317478.db2.gz NFFSSUMTVMTFAR-UMVBOHGHSA-N 1 0 333.350 3.256 20 10 EGCDRO Oc1cc(Br)ccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000825489024 1320342572 /nfs/dbraw/zinc/34/25/72/1320342572.db2.gz BZKMLCGSDLMGRH-AWEZNQCLSA-N 1 0 340.261 3.403 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)[C@]12CCCO2 ZINC000825513836 1320343774 /nfs/dbraw/zinc/34/37/74/1320343774.db2.gz KEWDLVQTYOMJBH-BRWVUGGUSA-N 1 0 325.836 3.170 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000825737291 1320359382 /nfs/dbraw/zinc/35/93/82/1320359382.db2.gz XZUSGBZZCHKPTM-KDOFPFPSSA-N 1 0 346.471 3.375 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cccc(F)c2OC(F)F)c1O ZINC000825916352 1320371101 /nfs/dbraw/zinc/37/11/01/1320371101.db2.gz MPSLSSLQTNVTAZ-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825927336 1320371466 /nfs/dbraw/zinc/37/14/66/1320371466.db2.gz BXBIYNPUVOPYLK-OAHLLOKOSA-N 1 0 328.250 3.282 20 10 EGCDRO Oc1cc(Br)ccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000826012962 1320378193 /nfs/dbraw/zinc/37/81/93/1320378193.db2.gz RSXOEUHZAVXLNE-CQSZACIVSA-N 1 0 326.234 3.034 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000826020403 1320378774 /nfs/dbraw/zinc/37/87/74/1320378774.db2.gz UBJDTDZDGVXOQL-ICSRJNTNSA-N 1 0 331.504 3.399 20 10 EGCDRO [NH3+][C@@H](CCC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000827004766 1320419583 /nfs/dbraw/zinc/41/95/83/1320419583.db2.gz NWMQZHKNOFYDNF-FQEVSTJZSA-N 1 0 337.467 3.383 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1F ZINC000827196964 1320432927 /nfs/dbraw/zinc/43/29/27/1320432927.db2.gz RKVMZAFUFLXZKR-RBUKOAKNSA-N 1 0 342.458 3.490 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC1(Cl)Cl ZINC000838528098 1320788242 /nfs/dbraw/zinc/78/82/42/1320788242.db2.gz BTXVMIVGJSJCNM-AWEZNQCLSA-N 1 0 329.271 3.149 20 10 EGCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(CC3)OCCCO4)c2c1 ZINC000840087653 1321025175 /nfs/dbraw/zinc/02/51/75/1321025175.db2.gz ZBKSABYGMVYSTB-UHFFFAOYSA-N 1 0 343.423 3.283 20 10 EGCDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840158396 1321041871 /nfs/dbraw/zinc/04/18/71/1321041871.db2.gz AOKFSIQAFCAJHQ-FQEVSTJZSA-N 1 0 342.439 3.494 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CC1(C)C ZINC000840715042 1321133393 /nfs/dbraw/zinc/13/33/93/1321133393.db2.gz NIELYOPRKNSQJZ-WDSOQIARSA-N 1 0 343.515 3.303 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CC1(C)C ZINC000840715041 1321133719 /nfs/dbraw/zinc/13/37/19/1321133719.db2.gz NIELYOPRKNSQJZ-UHOSZYNNSA-N 1 0 343.515 3.303 20 10 EGCDRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000840874929 1321166593 /nfs/dbraw/zinc/16/65/93/1321166593.db2.gz BBOVAFGKXGGYTR-ZDUSSCGKSA-N 1 0 339.501 3.135 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000840909957 1321175136 /nfs/dbraw/zinc/17/51/36/1321175136.db2.gz JBMFRAYGCOOCTB-UHFFFAOYSA-N 1 0 329.410 3.131 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000840913628 1321176900 /nfs/dbraw/zinc/17/69/00/1321176900.db2.gz YXXSXVSFBLANKQ-INIZCTEOSA-N 1 0 347.503 3.408 20 10 EGCDRO COc1cccc(CC[NH2+]Cc2ccc(N(C)C)cc2C)c1OC ZINC000840929337 1321179381 /nfs/dbraw/zinc/17/93/81/1321179381.db2.gz CJMBVDOYUSPXBO-UHFFFAOYSA-N 1 0 328.456 3.411 20 10 EGCDRO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000840929105 1321179811 /nfs/dbraw/zinc/17/98/11/1321179811.db2.gz FXNNYZUVGDGBCZ-UHFFFAOYSA-N 1 0 335.455 3.240 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000840936852 1321180898 /nfs/dbraw/zinc/18/08/98/1321180898.db2.gz NEPSQAMGMQABDU-AUSIDOKSSA-N 1 0 330.497 3.270 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000840935130 1321181038 /nfs/dbraw/zinc/18/10/38/1321181038.db2.gz GENJLPKEBMHHCS-UHFFFAOYSA-N 1 0 333.520 3.040 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840943715 1321182533 /nfs/dbraw/zinc/18/25/33/1321182533.db2.gz JIYHOQGTQDHPEP-NRFANRHFSA-N 1 0 341.499 3.462 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840963129 1321187812 /nfs/dbraw/zinc/18/78/12/1321187812.db2.gz YVRJBHIAHKKABV-INIZCTEOSA-N 1 0 344.411 3.001 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c(O)c1 ZINC000840962552 1321187862 /nfs/dbraw/zinc/18/78/62/1321187862.db2.gz RQJRGBZXNUGKOB-MRXNPFEDSA-N 1 0 344.411 3.001 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000840975813 1321192415 /nfs/dbraw/zinc/19/24/15/1321192415.db2.gz LWKJOTAGEGIGSJ-KBPBESRZSA-N 1 0 333.501 3.292 20 10 EGCDRO COC(=O)c1coc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840975074 1321192616 /nfs/dbraw/zinc/19/26/16/1321192616.db2.gz CHLSFZNADPPUDJ-AWEZNQCLSA-N 1 0 330.428 3.161 20 10 EGCDRO Oc1c(Br)cccc1CN1CC[NH2+]Cc2ccccc21 ZINC000841036714 1321205710 /nfs/dbraw/zinc/20/57/10/1321205710.db2.gz WEJLRIXMMQZOBW-UHFFFAOYSA-N 1 0 333.229 3.265 20 10 EGCDRO Cc1ncc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1-c1ccccc1 ZINC000841043921 1321208418 /nfs/dbraw/zinc/20/84/18/1321208418.db2.gz RNMDRTDFYXRQLZ-NRFANRHFSA-N 1 0 349.482 3.036 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnc(C3CCC3)s2)cc1 ZINC000841046195 1321209174 /nfs/dbraw/zinc/20/91/74/1321209174.db2.gz XUDHGQGMFXLIFR-KRWDZBQOSA-N 1 0 330.501 3.266 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1OC ZINC000841059085 1321211014 /nfs/dbraw/zinc/21/10/14/1321211014.db2.gz ZAXPILBOISKOKJ-MRXNPFEDSA-N 1 0 328.412 3.159 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105267 1321218867 /nfs/dbraw/zinc/21/88/67/1321218867.db2.gz DTCAAKKMXXAEFB-OAQYLSRUSA-N 1 0 338.451 3.299 20 10 EGCDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cc(Br)ccc2O)C1 ZINC000841106272 1321219051 /nfs/dbraw/zinc/21/90/51/1321219051.db2.gz IXHXAXHOMNSWKY-AWEZNQCLSA-N 1 0 333.229 3.045 20 10 EGCDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(N)cc2)c1 ZINC000841301370 1321249650 /nfs/dbraw/zinc/24/96/50/1321249650.db2.gz MVYMSFHKLWNNNS-UHFFFAOYSA-N 1 0 326.444 3.173 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000841302546 1321250428 /nfs/dbraw/zinc/25/04/28/1321250428.db2.gz ZMFLZRHBCIGOTR-LJQANCHMSA-N 1 0 340.471 3.343 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000841719656 1321302571 /nfs/dbraw/zinc/30/25/71/1321302571.db2.gz MVKKDYJRLRREKN-IBGZPJMESA-N 1 0 340.471 3.032 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841744619 1321305233 /nfs/dbraw/zinc/30/52/33/1321305233.db2.gz JIPMZCMCSZWEEE-ZDUSSCGKSA-N 1 0 332.831 3.355 20 10 EGCDRO CC[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(N(C)C)cc1 ZINC000841760521 1321308096 /nfs/dbraw/zinc/30/80/96/1321308096.db2.gz FSKBYYBMJHLAQM-GOSISDBHSA-N 1 0 334.504 3.361 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000841893730 1321327926 /nfs/dbraw/zinc/32/79/26/1321327926.db2.gz OMXKJQKBWPCGKE-LJQANCHMSA-N 1 0 332.513 3.241 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NCCC[NH2+]C(C)C)cc1 ZINC000841933415 1321330903 /nfs/dbraw/zinc/33/09/03/1321330903.db2.gz BOFZNRCJSKSUDI-UHFFFAOYSA-N 1 0 334.508 3.062 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000841996155 1321334215 /nfs/dbraw/zinc/33/42/15/1321334215.db2.gz QZBDXERUYGEELB-MRXNPFEDSA-N 1 0 334.508 3.192 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842013165 1321335054 /nfs/dbraw/zinc/33/50/54/1321335054.db2.gz FWEOEEFFQGZREO-CGTJXYLNSA-N 1 0 345.487 3.092 20 10 EGCDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000859258993 1328956123 /nfs/dbraw/zinc/95/61/23/1328956123.db2.gz ZDFNGRDVALFSSE-HZPDHXFCSA-N 1 0 325.456 3.281 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(=O)NCc1cccs1 ZINC000842911057 1321448493 /nfs/dbraw/zinc/44/84/93/1321448493.db2.gz WNMVAIPSNLEBEE-IAQYHMDHSA-N 1 0 336.432 3.338 20 10 EGCDRO CC[C@H]1CN(Cc2cc(C)cc(Br)c2O)CC[C@H]1[NH3+] ZINC000843051958 1321462303 /nfs/dbraw/zinc/46/23/03/1321462303.db2.gz JDXSOUNFYQQZQU-SMDDNHRTSA-N 1 0 327.266 3.022 20 10 EGCDRO CC[N@H+](Cc1ccc(N)nc1)Cc1cc(Br)ccc1O ZINC000843065610 1321464675 /nfs/dbraw/zinc/46/46/75/1321464675.db2.gz MGDOCSZKLONHRP-UHFFFAOYSA-N 1 0 336.233 3.154 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000843127687 1321473924 /nfs/dbraw/zinc/47/39/24/1321473924.db2.gz GDVCNTXMPJITQP-UHFFFAOYSA-N 1 0 335.245 3.212 20 10 EGCDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350863 1321504472 /nfs/dbraw/zinc/50/44/72/1321504472.db2.gz XIFVKLABHJUGPG-CQSZACIVSA-N 1 0 344.480 3.063 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc1N1CCOCC1 ZINC000843415938 1321514568 /nfs/dbraw/zinc/51/45/68/1321514568.db2.gz FHSHLVFSPUANIM-MJGOQNOKSA-N 1 0 348.462 3.053 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC2(CCCC2)O1 ZINC000843433645 1321518664 /nfs/dbraw/zinc/51/86/64/1321518664.db2.gz BVUDNYJEAFTJER-INIZCTEOSA-N 1 0 348.462 3.196 20 10 EGCDRO C[NH2+]C[C@H](C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843484663 1321522316 /nfs/dbraw/zinc/52/23/16/1321522316.db2.gz KVYQGXCNCFKYGU-HOTGVXAUSA-N 1 0 326.440 3.338 20 10 EGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000845988775 1321761428 /nfs/dbraw/zinc/76/14/28/1321761428.db2.gz BAWSBOOYZQNFKR-KGLIPLIRSA-N 1 0 333.453 3.250 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc3cnccc3o2)cc1 ZINC000846053123 1321765405 /nfs/dbraw/zinc/76/54/05/1321765405.db2.gz VURAXVACDDVARS-UHFFFAOYSA-N 1 0 325.412 3.405 20 10 EGCDRO CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000846106649 1321768108 /nfs/dbraw/zinc/76/81/08/1321768108.db2.gz DDQZEUJKCAWBOV-GOEBONIOSA-N 1 0 347.377 3.383 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)c1O ZINC000846135061 1321770189 /nfs/dbraw/zinc/77/01/89/1321770189.db2.gz AAOROPQCQSVFDK-CYBMUJFWSA-N 1 0 331.412 3.311 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCOc2cccc(NC(C)=O)c2)c1O ZINC000846148991 1321771890 /nfs/dbraw/zinc/77/18/90/1321771890.db2.gz FDAQOZYSBKWQQW-ZDUSSCGKSA-N 1 0 344.411 3.089 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)c1O ZINC000846156254 1321772465 /nfs/dbraw/zinc/77/24/65/1321772465.db2.gz TVDCZDHMGWUGDG-GFCCVEGCSA-N 1 0 343.402 3.320 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)c1O ZINC000846156259 1321772555 /nfs/dbraw/zinc/77/25/55/1321772555.db2.gz TVDCZDHMGWUGDG-LBPRGKRZSA-N 1 0 343.402 3.320 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)n2)c1O ZINC000846172349 1321773817 /nfs/dbraw/zinc/77/38/17/1321773817.db2.gz KVADLVVMTXIZCO-CQSZACIVSA-N 1 0 325.412 3.250 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1(Br)CC1 ZINC000846825803 1321812932 /nfs/dbraw/zinc/81/29/32/1321812932.db2.gz WNDJNQWQRPQXBQ-AWEZNQCLSA-N 1 0 340.261 3.301 20 10 EGCDRO Cc1cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)ccc1N1CCCCC1 ZINC000846922565 1321823828 /nfs/dbraw/zinc/82/38/28/1321823828.db2.gz YSKJYQRGAWUSFK-SFHVURJKSA-N 1 0 329.488 3.038 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCCC[C@@H]3CO)cc2)CC1 ZINC000847014493 1321833974 /nfs/dbraw/zinc/83/39/74/1321833974.db2.gz KGEZFFCNCDOADC-LJQANCHMSA-N 1 0 332.488 3.039 20 10 EGCDRO CCc1cccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)c1O ZINC000848879755 1322027529 /nfs/dbraw/zinc/02/75/29/1322027529.db2.gz BKNRSHAFVBDWBL-UHFFFAOYSA-N 1 0 340.467 3.423 20 10 EGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000848886518 1322029712 /nfs/dbraw/zinc/02/97/12/1322029712.db2.gz WQAYWTXEXZSWAQ-AWEZNQCLSA-N 1 0 334.460 3.301 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1O ZINC000848893175 1322033331 /nfs/dbraw/zinc/03/33/31/1322033331.db2.gz RHQURVKPSFXMPE-FQEVSTJZSA-N 1 0 340.467 3.118 20 10 EGCDRO CCc1cccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1O ZINC000848895122 1322034827 /nfs/dbraw/zinc/03/48/27/1322034827.db2.gz QXUFUMDCUHMDME-UHFFFAOYSA-N 1 0 325.456 3.104 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)c1O ZINC000848895738 1322035150 /nfs/dbraw/zinc/03/51/50/1322035150.db2.gz WXSNYTFDYCRVTD-UHFFFAOYSA-N 1 0 336.439 3.442 20 10 EGCDRO CCc1cccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1O ZINC000848899622 1322037381 /nfs/dbraw/zinc/03/73/81/1322037381.db2.gz QXOMBQVJIDSANK-GOSISDBHSA-N 1 0 340.471 3.102 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(COCCOC)cc2)c1O ZINC000848913152 1322042882 /nfs/dbraw/zinc/04/28/82/1322042882.db2.gz PIQMBECIHJOUKA-UHFFFAOYSA-N 1 0 329.440 3.407 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000849350134 1322116579 /nfs/dbraw/zinc/11/65/79/1322116579.db2.gz RNHSWHKONYYOPX-RTBURBONSA-N 1 0 344.430 3.165 20 10 EGCDRO Cc1nc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]c1C ZINC000850137692 1322197809 /nfs/dbraw/zinc/19/78/09/1322197809.db2.gz UPENVMIANADXSH-MRXNPFEDSA-N 1 0 348.878 3.140 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000850516542 1322260072 /nfs/dbraw/zinc/26/00/72/1322260072.db2.gz WYJPWXQOPNLIFX-GHMZBOCLSA-N 1 0 328.250 3.275 20 10 EGCDRO COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3ccc(C)cc3O)CC2=O)cc1 ZINC000850516254 1322260237 /nfs/dbraw/zinc/26/02/37/1322260237.db2.gz UBXWWNOEYASKKE-CABCVRRESA-N 1 0 340.423 3.165 20 10 EGCDRO CC[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000850557134 1322266191 /nfs/dbraw/zinc/26/61/91/1322266191.db2.gz LLBZZGWCZIDZMY-PMACEKPBSA-N 1 0 331.504 3.047 20 10 EGCDRO C[C@@H]([NH2+]CC1SCCS1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850559837 1322267292 /nfs/dbraw/zinc/26/72/92/1322267292.db2.gz ARYJDNMBUFMRJB-GFCCVEGCSA-N 1 0 342.505 3.119 20 10 EGCDRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566740 1322269912 /nfs/dbraw/zinc/26/99/12/1322269912.db2.gz RSNTTYFEWXAELO-HNNXBMFYSA-N 1 0 330.497 3.430 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1cc(F)ccc1O ZINC000850574325 1322271027 /nfs/dbraw/zinc/27/10/27/1322271027.db2.gz DJZFIAHMIJCACI-ZDUSSCGKSA-N 1 0 343.402 3.302 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922113413 1322458510 /nfs/dbraw/zinc/45/85/10/1322458510.db2.gz LXQSEHXPBKMYLK-HXUWFJFHSA-N 1 0 340.467 3.413 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1F ZINC000922482627 1322539360 /nfs/dbraw/zinc/53/93/60/1322539360.db2.gz VKLFHJIXRUUXHK-UHFFFAOYSA-N 1 0 330.382 3.207 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C3=CCCC3)C2)cc1C ZINC001023932054 1323038130 /nfs/dbraw/zinc/03/81/30/1323038130.db2.gz PPIGQKGMELEKHJ-GOSISDBHSA-N 1 0 342.483 3.442 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CC3(C)C)C2)cc1C ZINC001023941466 1323045095 /nfs/dbraw/zinc/04/50/95/1323045095.db2.gz NGTGRVOPHVXHRI-ZWKOTPCHSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001024176861 1323189434 /nfs/dbraw/zinc/18/94/34/1323189434.db2.gz GZMLNWQUQHABRP-MSOLQXFVSA-N 1 0 342.483 3.132 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)ccc1N1CCCCC1 ZINC000852442235 1323192792 /nfs/dbraw/zinc/19/27/92/1323192792.db2.gz JZMHZNSKEHHMSN-GOSISDBHSA-N 1 0 343.471 3.012 20 10 EGCDRO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924900812 1323204641 /nfs/dbraw/zinc/20/46/41/1323204641.db2.gz PJHACYIMMUKPIA-RNODOKPDSA-N 1 0 342.414 3.116 20 10 EGCDRO COc1ccc(N(Cc2ccccc2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000852745275 1323234733 /nfs/dbraw/zinc/23/47/33/1323234733.db2.gz PQTOOMFUBXYUPF-FQEVSTJZSA-N 1 0 338.451 3.223 20 10 EGCDRO Cc1cc(C(=O)CN(C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1cccc(F)c1 ZINC000859966094 1329120277 /nfs/dbraw/zinc/12/02/77/1329120277.db2.gz DNZSNUOQYWLPNK-RHNCMZPLSA-N 1 0 344.430 3.119 20 10 EGCDRO C/C=C(/C)C(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)[C@@H]2C1 ZINC001026235536 1324679837 /nfs/dbraw/zinc/67/98/37/1324679837.db2.gz RRSIQMCFRSNLTA-GWQBFNMJSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(C)(C)C)C[C@H]32)cc1C ZINC001026406402 1324779010 /nfs/dbraw/zinc/77/90/10/1324779010.db2.gz YXAUODJIXFRGKK-RCCFBDPRSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(C)=C3CCC3)C2)cc1C ZINC001026836488 1325041577 /nfs/dbraw/zinc/04/15/77/1325041577.db2.gz WCAYVFMMMIURAQ-SFHVURJKSA-N 1 0 342.483 3.442 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCC3(C)C)C2)cc1C ZINC001027009360 1325149279 /nfs/dbraw/zinc/14/92/79/1325149279.db2.gz YUTSMGRWWNVTHX-ZWKOTPCHSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(C(C)C)CC3)C2)cc1C ZINC001027048294 1325184426 /nfs/dbraw/zinc/18/44/26/1325184426.db2.gz GUUOLPPZGFGJKB-GOSISDBHSA-N 1 0 344.499 3.378 20 10 EGCDRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000854724707 1325299449 /nfs/dbraw/zinc/29/94/49/1325299449.db2.gz SFHVKRBHFGKMLL-UHFFFAOYSA-N 1 0 339.483 3.345 20 10 EGCDRO CC[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccccc1O ZINC000926907484 1327769094 /nfs/dbraw/zinc/76/90/94/1327769094.db2.gz JTPPCRUTAMUHPF-MRXNPFEDSA-N 1 0 333.453 3.079 20 10 EGCDRO CCC[NH+]1CCC(N(C)Cc2c(O)cccc2Br)CC1 ZINC000862229329 1329468309 /nfs/dbraw/zinc/46/83/09/1329468309.db2.gz DJTOJUDWPLNFEA-UHFFFAOYSA-N 1 0 341.293 3.461 20 10 EGCDRO C[N@@H+]1CCC[C@]2(CCN(Cc3c(O)cccc3Br)C2)C1 ZINC000862377604 1329480433 /nfs/dbraw/zinc/48/04/33/1329480433.db2.gz JGEJMGGDHKUGAZ-INIZCTEOSA-N 1 0 339.277 3.072 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000862476438 1329489619 /nfs/dbraw/zinc/48/96/19/1329489619.db2.gz UEVOZGNJBGIIKO-CYBMUJFWSA-N 1 0 343.383 3.116 20 10 EGCDRO CCOc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)c(O)c1 ZINC000862536927 1329493806 /nfs/dbraw/zinc/49/38/06/1329493806.db2.gz OKHOHGWTMKSQQX-SFHVURJKSA-N 1 0 341.407 3.063 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000862540706 1329494207 /nfs/dbraw/zinc/49/42/07/1329494207.db2.gz KIMJJHVFRHFHIO-ZDUSSCGKSA-N 1 0 338.448 3.136 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646936 1329570264 /nfs/dbraw/zinc/57/02/64/1329570264.db2.gz SDEAGKIADIXDAH-DOTOQJQBSA-N 1 0 343.437 3.492 20 10 EGCDRO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(Cl)cc1O ZINC000866433833 1330111627 /nfs/dbraw/zinc/11/16/27/1330111627.db2.gz ZZPFJMTWUZLQAB-MRVPVSSYSA-N 1 0 344.640 3.392 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC4(CC4)C3)C[C@H]2C)cc1C ZINC000939123843 1330381659 /nfs/dbraw/zinc/38/16/59/1330381659.db2.gz NOJNJGRCLVUURP-CRAIPNDOSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(F)CCCCC3)C2)cc1C ZINC000970406366 1336305188 /nfs/dbraw/zinc/30/51/88/1336305188.db2.gz RDTKNUJOCXVYIH-QGZVFWFLSA-N 1 0 348.462 3.367 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(Cl)o3)C2)cc1C ZINC001018510821 1339650212 /nfs/dbraw/zinc/65/02/12/1339650212.db2.gz UMHPEXPEYSOHAV-AWEZNQCLSA-N 1 0 348.830 3.254 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2=CCCC2)cc1C ZINC001034907698 1342832211 /nfs/dbraw/zinc/83/22/11/1342832211.db2.gz LTZKIDSHLAWQGU-GOSISDBHSA-N 1 0 328.456 3.195 20 10 EGCDRO CC[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1[NH2+]C(C)C ZINC001037976294 1344215069 /nfs/dbraw/zinc/21/50/69/1344215069.db2.gz MKSWICMFXYPJAC-XJKSGUPXSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C=C(C)C)[C@H](C)C2)cc1C ZINC001044432894 1346329142 /nfs/dbraw/zinc/32/91/42/1346329142.db2.gz PWWVNLKXFJXQQO-SJLPKXTDSA-N 1 0 330.472 3.439 20 10 EGCDRO CC(C)C[NH+]1CCC(C)(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001045647735 1346658472 /nfs/dbraw/zinc/65/84/72/1346658472.db2.gz SPWQZVGLXUOAIV-UHFFFAOYSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C3CCC3)C2)cc1C ZINC001047668332 1347322970 /nfs/dbraw/zinc/32/29/70/1347322970.db2.gz UEOKQDSNNUWWMA-YJBOKZPZSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C=C(C)C)C[C@@H]2C)cc1C ZINC001048125420 1347475418 /nfs/dbraw/zinc/47/54/18/1347475418.db2.gz RUKZPXSGWQQVMT-WMZOPIPTSA-N 1 0 330.472 3.154 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3=CCCC3)C[C@H]2C)cc1C ZINC001048204646 1347493586 /nfs/dbraw/zinc/49/35/86/1347493586.db2.gz RMDOVHXFTIZGMM-VQIMIIECSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(C)CCC3)C[C@H]2C)cc1C ZINC001048341663 1347523900 /nfs/dbraw/zinc/52/39/00/1347523900.db2.gz BKQHFSKWDCORLL-SJLPKXTDSA-N 1 0 344.499 3.378 20 10 EGCDRO CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052966890 1348777804 /nfs/dbraw/zinc/77/78/04/1348777804.db2.gz YAKVLVIBRMJMPV-HNNXBMFYSA-N 1 0 345.447 3.089 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1O ZINC001233108403 1376569811 /nfs/dbraw/zinc/56/98/11/1376569811.db2.gz MCNCXZPXWNGASS-SWLSCSKDSA-N 1 0 340.261 3.464 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CC(c3cccnc3)C2)c1O ZINC001233109858 1376570961 /nfs/dbraw/zinc/57/09/61/1376570961.db2.gz ISJDVQPBBYBLEO-UHFFFAOYSA-N 1 0 333.229 3.458 20 10 EGCDRO CCCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001072163067 1355161090 /nfs/dbraw/zinc/16/10/90/1355161090.db2.gz JRSWHFFBIOYQHJ-QAPCUYQASA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](F)C3)C2)cc1C ZINC001086179894 1359017158 /nfs/dbraw/zinc/01/71/58/1359017158.db2.gz VYDQOOSCGQMFDJ-WNRNVDISSA-N 1 0 348.462 3.126 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC=CCC3)C2)cc1C ZINC001086305537 1359062171 /nfs/dbraw/zinc/06/21/71/1359062171.db2.gz YUAGMLGIYVPSCI-FHWLQOOXSA-N 1 0 342.483 3.344 20 10 EGCDRO CC[C@]1(C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086520499 1359128548 /nfs/dbraw/zinc/12/85/48/1359128548.db2.gz GFJYTWGCIRYTAL-RYLXDESZSA-N 1 0 344.499 3.424 20 10 EGCDRO C[N@H+](Cc1cccn1C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC001324426590 1387621561 /nfs/dbraw/zinc/62/15/61/1387621561.db2.gz XTIQKXFNDCRKBV-UHFFFAOYSA-N 1 0 325.456 3.292 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C(C)=C3CCC3)C2)cc1C ZINC001100313925 1364077508 /nfs/dbraw/zinc/07/75/08/1364077508.db2.gz VFZYIXOCYLISJT-UHFFFAOYSA-N 1 0 342.483 3.488 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC001324600427 1387691595 /nfs/dbraw/zinc/69/15/95/1387691595.db2.gz BUWRUNKCWHSMNU-TZMCWYRMSA-N 1 0 335.411 3.219 20 10 EGCDRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193255163 1367981265 /nfs/dbraw/zinc/98/12/65/1367981265.db2.gz QKXPITYWHXZVIZ-TXEJJXNPSA-N 1 0 340.851 3.134 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC001325326740 1387935880 /nfs/dbraw/zinc/93/58/80/1387935880.db2.gz YLUOGECFAYZSSV-MJGOQNOKSA-N 1 0 346.519 3.192 20 10 EGCDRO O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001195275654 1368412194 /nfs/dbraw/zinc/41/21/94/1368412194.db2.gz SNRJHZRYOYJLHI-IWKHNONTSA-N 1 0 336.395 3.338 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001325339946 1387941071 /nfs/dbraw/zinc/94/10/71/1387941071.db2.gz MESQAUNSHDYMAJ-GDBMZVCRSA-N 1 0 342.439 3.459 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CCC2CCOCC2)C1 ZINC001202664282 1369842725 /nfs/dbraw/zinc/84/27/25/1369842725.db2.gz KTKBHLUEIVYVOC-UHFFFAOYSA-N 1 0 328.456 3.362 20 10 EGCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1c1ccc(F)cc1 ZINC001203551687 1370166854 /nfs/dbraw/zinc/16/68/54/1370166854.db2.gz KKTJNFJYNJLAIU-HXUWFJFHSA-N 1 0 340.398 3.160 20 10 EGCDRO Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccccc4O)C3)CC2=O)c1 ZINC001203552678 1370167781 /nfs/dbraw/zinc/16/77/81/1370167781.db2.gz QCVFSZLAMQOTCG-OAQYLSRUSA-N 1 0 336.435 3.330 20 10 EGCDRO COc1cccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)c1O ZINC001203595780 1370182134 /nfs/dbraw/zinc/18/21/34/1370182134.db2.gz LLDBJCLJZHNFAF-UHFFFAOYSA-N 1 0 339.391 3.063 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1O ZINC001203601828 1370183944 /nfs/dbraw/zinc/18/39/44/1370183944.db2.gz MPOXQNZCVANUSE-IEBWSBKVSA-N 1 0 338.451 3.107 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(Oc3ccccn3)CC2)c1O ZINC001203609445 1370187026 /nfs/dbraw/zinc/18/70/26/1370187026.db2.gz TYZZLUDJJAMBCW-UHFFFAOYSA-N 1 0 328.412 3.229 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3C)CC2)c(O)c1 ZINC001203634801 1370195398 /nfs/dbraw/zinc/19/53/98/1370195398.db2.gz WEOZUFYBTLTPPA-UHFFFAOYSA-N 1 0 330.403 3.171 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001203657509 1370203463 /nfs/dbraw/zinc/20/34/63/1370203463.db2.gz LQSHLEHPJPTULE-AEFFLSMTSA-N 1 0 337.847 3.206 20 10 EGCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@@H]21 ZINC001203659696 1370205908 /nfs/dbraw/zinc/20/59/08/1370205908.db2.gz YGQHRZPTCWXBNG-BBRMVZONSA-N 1 0 336.863 3.124 20 10 EGCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC001203665246 1370208208 /nfs/dbraw/zinc/20/82/08/1370208208.db2.gz DPQOSELITVIGTL-MRXNPFEDSA-N 1 0 348.830 3.493 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCN(c3nccc4occc43)CC2)cc1 ZINC001203934329 1370321400 /nfs/dbraw/zinc/32/14/00/1370321400.db2.gz QPLFOYINQHFARG-UHFFFAOYSA-N 1 0 336.439 3.216 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)cc1 ZINC001203934116 1370321649 /nfs/dbraw/zinc/32/16/49/1370321649.db2.gz NIOGAFSGSKJVQC-UHFFFAOYSA-N 1 0 346.862 3.239 20 10 EGCDRO CCc1ncnc2c1CC[N@H+](Cc1ccc(N(CC)CC)cc1)CC2 ZINC001203938332 1370321908 /nfs/dbraw/zinc/32/19/08/1370321908.db2.gz ADZLRRPNWKVVDL-UHFFFAOYSA-N 1 0 338.499 3.486 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1 ZINC001203936351 1370322122 /nfs/dbraw/zinc/32/21/22/1370322122.db2.gz MHADRCMJYQKTJK-UXHICEINSA-N 1 0 338.451 3.141 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@]3(CCN(CC)C3=O)C2)cc1 ZINC001203938834 1370322134 /nfs/dbraw/zinc/32/21/34/1370322134.db2.gz IMHTYWWVNFDFLZ-UWJYYQICSA-N 1 0 343.515 3.223 20 10 EGCDRO Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937347 1370322461 /nfs/dbraw/zinc/32/24/61/1370322461.db2.gz VVOHTICREHUOTR-IBGZPJMESA-N 1 0 325.456 3.499 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)cc1 ZINC001203946052 1370325156 /nfs/dbraw/zinc/32/51/56/1370325156.db2.gz SKUIBVJBBVMFSR-IBGZPJMESA-N 1 0 340.471 3.285 20 10 EGCDRO CC(C)CC[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001203999738 1370344283 /nfs/dbraw/zinc/34/42/83/1370344283.db2.gz VZWLFGDSCGUZSG-UHFFFAOYSA-N 1 0 345.447 3.089 20 10 EGCDRO CC[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001203999115 1370344285 /nfs/dbraw/zinc/34/42/85/1370344285.db2.gz MGSOFWAUAGMJLW-CYBMUJFWSA-N 1 0 345.447 3.089 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCN(c3ncccn3)CC2)c2ccccc21 ZINC001204232673 1370416928 /nfs/dbraw/zinc/41/69/28/1370416928.db2.gz IFOUCUDXZMTSFO-UHFFFAOYSA-N 1 0 347.466 3.018 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204276579 1370429071 /nfs/dbraw/zinc/42/90/71/1370429071.db2.gz NMRWCFIBCZYVEY-UHFFFAOYSA-N 1 0 348.443 3.073 20 10 EGCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328283 1370445114 /nfs/dbraw/zinc/44/51/14/1370445114.db2.gz GAVJYLBZXCQDJZ-SFHVURJKSA-N 1 0 330.472 3.452 20 10 EGCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327835 1370445299 /nfs/dbraw/zinc/44/52/99/1370445299.db2.gz JUJSEOZMOLNXON-UHFFFAOYSA-N 1 0 330.472 3.452 20 10 EGCDRO CC(C)CC(=O)NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327504 1370445309 /nfs/dbraw/zinc/44/53/09/1370445309.db2.gz WHHKMUQSRCTTHU-UHFFFAOYSA-N 1 0 343.515 3.414 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](F)CC2)c1O ZINC001204336231 1370447519 /nfs/dbraw/zinc/44/75/19/1370447519.db2.gz IBFBHZXHWIVFFM-GFCCVEGCSA-N 1 0 332.213 3.487 20 10 EGCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001115917719 1370805275 /nfs/dbraw/zinc/80/52/75/1370805275.db2.gz CJKIPGXUPVEZQV-LJQANCHMSA-N 1 0 331.504 3.414 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001116039787 1370825422 /nfs/dbraw/zinc/82/54/22/1370825422.db2.gz HZJAHVIIUXNXNH-IRXDYDNUSA-N 1 0 333.476 3.187 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)c1 ZINC001116482536 1370922474 /nfs/dbraw/zinc/92/24/74/1370922474.db2.gz JAYFJXBMQUNPGR-MRXNPFEDSA-N 1 0 327.428 3.181 20 10 EGCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206351837 1371029307 /nfs/dbraw/zinc/02/93/07/1371029307.db2.gz 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EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2ccncc2)cc1C ZINC001133544793 1376075678 /nfs/dbraw/zinc/07/56/78/1376075678.db2.gz LSOCSRSLNKMDOQ-JKSUJKDBSA-N 1 0 341.455 3.085 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC(F)(F)C2)cc1C ZINC001133713583 1376170295 /nfs/dbraw/zinc/17/02/95/1376170295.db2.gz UFRRTNRKCZNTJB-HNNXBMFYSA-N 1 0 340.414 3.035 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc[nH]c2C2CCC2)cc1C ZINC001133831875 1376222790 /nfs/dbraw/zinc/22/27/90/1376222790.db2.gz VRYUZOICEDAFOL-UHFFFAOYSA-N 1 0 341.455 3.119 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1O ZINC001231592407 1376274034 /nfs/dbraw/zinc/27/40/34/1376274034.db2.gz HPQLGZAUHNWTSW-UHFFFAOYSA-N 1 0 346.434 3.153 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c1O ZINC001231592453 1376274211 /nfs/dbraw/zinc/27/42/11/1376274211.db2.gz RFODJTQZGFKRMF-UHFFFAOYSA-N 1 0 332.444 3.286 20 10 EGCDRO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231634411 1376286655 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CCN1CCc2cc(O[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)ccc21 ZINC001233601013 1376681417 /nfs/dbraw/zinc/68/14/17/1376681417.db2.gz FIZCEOCRBBXZDR-HDICACEKSA-N 1 0 330.472 3.091 20 10 EGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237053819 1376972094 /nfs/dbraw/zinc/97/20/94/1376972094.db2.gz QZZLMWCGRKRUHB-PWSUYJOCSA-N 1 0 337.288 3.420 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CCN(C2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246821054 1377055386 /nfs/dbraw/zinc/05/53/86/1377055386.db2.gz HULAIFNKCIQIAM-KBPBESRZSA-N 1 0 327.472 3.074 20 10 EGCDRO CC[C@@]1(C(C)C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001136087985 1377338943 /nfs/dbraw/zinc/33/89/43/1377338943.db2.gz RKFUMPCIEMULJY-PXNSSMCTSA-N 1 0 332.488 3.282 20 10 EGCDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccccc1-n1cccn1)CCC2 ZINC001137100529 1377478181 /nfs/dbraw/zinc/47/81/81/1377478181.db2.gz BYOQPQRETIYINM-UHFFFAOYSA-N 1 0 335.407 3.232 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(C)n1-c1ccccc1 ZINC001137859109 1377632453 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CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c(OC)c1 ZINC001138390504 1377714363 /nfs/dbraw/zinc/71/43/63/1377714363.db2.gz ZMWCLHRRUDMKOJ-MRXNPFEDSA-N 1 0 344.459 3.222 20 10 EGCDRO CCN(CC)c1ccc(CN2CCC([N@H+](C)CC)CC2)c(OC)c1 ZINC001138391654 1377714463 /nfs/dbraw/zinc/71/44/63/1377714463.db2.gz ICNMQTFLXWTVDM-UHFFFAOYSA-N 1 0 333.520 3.458 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC)C2)c(OC)c1 ZINC001138390400 1377714600 /nfs/dbraw/zinc/71/46/00/1377714600.db2.gz VNKASLMXCBPHPE-INIZCTEOSA-N 1 0 348.487 3.317 20 10 EGCDRO C[C@@H]1C(=O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C12CCCC2 ZINC001138500575 1377733480 /nfs/dbraw/zinc/73/34/80/1377733480.db2.gz BNUBQNFWZRIFHC-QGZVFWFLSA-N 1 0 342.483 3.247 20 10 EGCDRO COc1cc(CN2CCC[C@@H](C(F)(F)F)C2)cc(C[NH+](C)C)c1O ZINC001139257233 1377858377 /nfs/dbraw/zinc/85/83/77/1377858377.db2.gz VGBZKKYXJGOQLA-CQSZACIVSA-N 1 0 346.393 3.237 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)s1)Cc1ccccc1O ZINC001139295889 1377863874 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CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140464303 1378067160 /nfs/dbraw/zinc/06/71/60/1378067160.db2.gz KFDQQXIWRSDYDR-UHFFFAOYSA-N 1 0 336.863 3.269 20 10 EGCDRO O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@H]2C1 ZINC001140464814 1378067664 /nfs/dbraw/zinc/06/76/64/1378067664.db2.gz CLRMTZMWEUVFJE-QKDCVEJESA-N 1 0 348.874 3.172 20 10 EGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001140465988 1378067911 /nfs/dbraw/zinc/06/79/11/1378067911.db2.gz XWOQTZKYJFCVCV-AEFFLSMTSA-N 1 0 337.847 3.206 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1 ZINC001140621385 1378099742 /nfs/dbraw/zinc/09/97/42/1378099742.db2.gz IIKXZQDFKTWGPM-SFHVURJKSA-N 1 0 331.456 3.251 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001140622255 1378100301 /nfs/dbraw/zinc/10/03/01/1378100301.db2.gz ZULXJTUSLOEKSK-LJQANCHMSA-N 1 0 342.464 3.391 20 10 EGCDRO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(C)ccc1O ZINC001140623641 1378100341 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CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140857705 1378159811 /nfs/dbraw/zinc/15/98/11/1378159811.db2.gz XLNQWEWDWJABEL-FQEVSTJZSA-N 1 0 348.487 3.404 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c(O)c1 ZINC001140949922 1378190199 /nfs/dbraw/zinc/19/01/99/1378190199.db2.gz KMXFAFWNQOFSFP-UHFFFAOYSA-N 1 0 346.434 3.153 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)c(C)c1 ZINC001140953567 1378191802 /nfs/dbraw/zinc/19/18/02/1378191802.db2.gz CDGUBMCAEYYBDT-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140957644 1378193425 /nfs/dbraw/zinc/19/34/25/1378193425.db2.gz GYIHHJWWSALYKL-HOCLYGCPSA-N 1 0 334.460 3.436 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c(OC)c1 ZINC001141032104 1378214181 /nfs/dbraw/zinc/21/41/81/1378214181.db2.gz SEKXJNGQOWRQMB-AWEZNQCLSA-N 1 0 337.313 3.133 20 10 EGCDRO C[C@@]1(CO)CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141075052 1378232248 /nfs/dbraw/zinc/23/22/48/1378232248.db2.gz XDHJWNLMXLHWBC-OAQYLSRUSA-N 1 0 328.500 3.370 20 10 EGCDRO c1c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141075546 1378232653 /nfs/dbraw/zinc/23/26/53/1378232653.db2.gz UFZYOEGUSAIQQG-FXAWDEMLSA-N 1 0 326.484 3.386 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC[C@]1(C)O ZINC001141075101 1378232740 /nfs/dbraw/zinc/23/27/40/1378232740.db2.gz YQYPXAGAPBXERS-KKSFZXQISA-N 1 0 328.500 3.368 20 10 EGCDRO c1c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141075548 1378233149 /nfs/dbraw/zinc/23/31/49/1378233149.db2.gz UFZYOEGUSAIQQG-XLIONFOSSA-N 1 0 326.484 3.386 20 10 EGCDRO O=C1CC[C@]2(CCC[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)O1 ZINC001141078240 1378233656 /nfs/dbraw/zinc/23/36/56/1378233656.db2.gz QDJJIXXSGQBQKI-NRFANRHFSA-N 1 0 340.467 3.057 20 10 EGCDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141162075 1378254224 /nfs/dbraw/zinc/25/42/24/1378254224.db2.gz LBECEJZQNVSOLT-CQSZACIVSA-N 1 0 329.396 3.052 20 10 EGCDRO COCCCC[NH+]1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143116466 1378542869 /nfs/dbraw/zinc/54/28/69/1378542869.db2.gz CIEHWKONDZPKPT-UHFFFAOYSA-N 1 0 334.504 3.234 20 10 EGCDRO CN1CC2(CC1=O)CC[NH+](Cc1cccc(C(C)(C)C)c1O)CC2 ZINC001143116870 1378543662 /nfs/dbraw/zinc/54/36/62/1378543662.db2.gz MTFPYCFNBFWZOY-UHFFFAOYSA-N 1 0 330.472 3.134 20 10 EGCDRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499202 1378738486 /nfs/dbraw/zinc/73/84/86/1378738486.db2.gz FBVZCXMKXUEPBQ-UHFFFAOYSA-N 1 0 345.370 3.037 20 10 EGCDRO CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146662471 1378892537 /nfs/dbraw/zinc/89/25/37/1378892537.db2.gz GVYUUMXYFAUVPX-STQMWFEESA-N 1 0 333.436 3.136 20 10 EGCDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)sc1C ZINC001150377228 1379542105 /nfs/dbraw/zinc/54/21/05/1379542105.db2.gz TULYVWIXIDTAAY-UHFFFAOYSA-N 1 0 346.496 3.456 20 10 EGCDRO CCc1ccsc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001152131506 1379869282 /nfs/dbraw/zinc/86/92/82/1379869282.db2.gz MFVADABOVTWCHI-UHFFFAOYSA-N 1 0 332.469 3.147 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C2C[C@H](C)C[C@@H](C)C2)cc1C ZINC001152763255 1379979257 /nfs/dbraw/zinc/97/92/57/1379979257.db2.gz PFPKAWTYPAIVMX-HUUCEWRRSA-N 1 0 332.488 3.282 20 10 EGCDRO CCc1ccc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nn1 ZINC001155640842 1380477776 /nfs/dbraw/zinc/47/77/76/1380477776.db2.gz OOIXPHJLDHYGPE-GMLUQMLDSA-N 1 0 338.499 3.438 20 10 EGCDRO Oc1cc2c(cc1O)CN(c1cc(N3CCCC3)cc[nH+]1)CCC2 ZINC001155944565 1380507145 /nfs/dbraw/zinc/50/71/45/1380507145.db2.gz HMOBLLRYNWYBLU-UHFFFAOYSA-N 1 0 325.412 3.046 20 10 EGCDRO COc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Cl ZINC001156658593 1380605919 /nfs/dbraw/zinc/60/59/19/1380605919.db2.gz WRNJZHVLTNNSAC-UHFFFAOYSA-N 1 0 346.862 3.108 20 10 EGCDRO CCc1c(Cl)ncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156659373 1380605996 /nfs/dbraw/zinc/60/59/96/1380605996.db2.gz KUBFLSYKQSVVLL-UHFFFAOYSA-N 1 0 345.878 3.056 20 10 EGCDRO CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157210148 1380810751 /nfs/dbraw/zinc/81/07/51/1380810751.db2.gz XJXRPRQYKVZHFY-ZIAGYGMSSA-N 1 0 347.463 3.335 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C=C1CC[NH2+]CC1 ZINC001157432830 1380889068 /nfs/dbraw/zinc/88/90/68/1380889068.db2.gz GTCUBTGJAFMOFF-IBGZPJMESA-N 1 0 328.456 3.058 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1[C@H]([NH3+])[C@H]2CC[C@@H]1C2 ZINC001157435814 1380893251 /nfs/dbraw/zinc/89/32/51/1380893251.db2.gz WJYDKDWNFWNHPN-ORPXKIEESA-N 1 0 342.483 3.122 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CCCC[NH2+]C1 ZINC001157436139 1380895398 /nfs/dbraw/zinc/89/53/98/1380895398.db2.gz ZMYVPLAIKRTNCC-KSSFIOAISA-N 1 0 330.472 3.138 20 10 EGCDRO CN(C)c1ccc(N=Nc2cccc(C(=O)N3CC(C)([NH3+])C3)c2)cc1 ZINC001157665978 1380993615 /nfs/dbraw/zinc/99/36/15/1380993615.db2.gz MVGYRAUQCOFHEF-UHFFFAOYSA-N 1 0 337.427 3.341 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N(C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001161063177 1382288451 /nfs/dbraw/zinc/28/84/51/1382288451.db2.gz BWZSBOYYOABGFV-MSOLQXFVSA-N 1 0 341.455 3.142 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCc2nn(C)c3ccccc23)cc1F ZINC001328705333 1388816263 /nfs/dbraw/zinc/81/62/63/1388816263.db2.gz YMGLAWAHBQLSLY-UHFFFAOYSA-N 1 0 344.409 3.250 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCNc3cnccc3C)CC2)cc1 ZINC001164333917 1383178579 /nfs/dbraw/zinc/17/85/79/1383178579.db2.gz IIUVBLDCKZWNNU-UHFFFAOYSA-N 1 0 340.471 3.023 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCCC(F)(F)F)cc1C ZINC001167255670 1383576724 /nfs/dbraw/zinc/57/67/24/1383576724.db2.gz YUQKACGAZMPCLS-UHFFFAOYSA-N 1 0 346.393 3.332 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(C)cc2F)cc1C ZINC001167289288 1383585465 /nfs/dbraw/zinc/58/54/65/1383585465.db2.gz GPVNCZXUEQIJDG-UHFFFAOYSA-N 1 0 344.430 3.361 20 10 EGCDRO Cc1cnc(Cl)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434317 1383632665 /nfs/dbraw/zinc/63/26/65/1383632665.db2.gz ISWIPIMCDWATGF-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO COC(=N)c1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167437337 1383633920 /nfs/dbraw/zinc/63/39/20/1383633920.db2.gz RBYXQQYCLAPCTO-UHFFFAOYSA-N 1 0 338.455 3.022 20 10 EGCDRO C[C@H]1C[C@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CCO1 ZINC001168142886 1383826840 /nfs/dbraw/zinc/82/68/40/1383826840.db2.gz FXIFFNQWTLUQOJ-DZGCQCFKSA-N 1 0 344.377 3.275 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2csc(C)c2)cc1C ZINC001168397565 1383895724 /nfs/dbraw/zinc/89/57/24/1383895724.db2.gz QCNIUGHHPCECSB-UHFFFAOYSA-N 1 0 332.469 3.283 20 10 EGCDRO Oc1ccc(CNc2c[nH+]c3cc(Br)ccn23)cc1O ZINC001169995312 1384214010 /nfs/dbraw/zinc/21/40/10/1384214010.db2.gz YNKVQDQPXCATFB-UHFFFAOYSA-N 1 0 334.173 3.120 20 10 EGCDRO CCCc1occc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001171115743 1384448838 /nfs/dbraw/zinc/44/88/38/1384448838.db2.gz RFJRNNSALWERJM-UHFFFAOYSA-N 1 0 344.455 3.459 20 10 EGCDRO COc1ccc(N2CC[NH+]([C@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171795538 1384639727 /nfs/dbraw/zinc/63/97/27/1384639727.db2.gz YGKSKRRRQXZKKM-KRWDZBQOSA-N 1 0 326.415 3.124 20 10 EGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CCOC(C)C)CC2)c(OC)c1 ZINC001172453846 1384795174 /nfs/dbraw/zinc/79/51/74/1384795174.db2.gz GYSSRKAAOBICEW-INIZCTEOSA-N 1 0 336.476 3.029 20 10 EGCDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccccc2O)c1F ZINC001173176488 1384931824 /nfs/dbraw/zinc/93/18/24/1384931824.db2.gz JOQDCOKAPADESR-LLVKDONJSA-N 1 0 334.347 3.169 20 10 EGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Br)CCCC[C@@H]1O ZINC001329141987 1388987078 /nfs/dbraw/zinc/98/70/78/1388987078.db2.gz UBYDZPYQALGMNN-LSDHHAIUSA-N 1 0 328.250 3.186 20 10 EGCDRO CC(C)[NH2+]CCCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001176797165 1385703619 /nfs/dbraw/zinc/70/36/19/1385703619.db2.gz UWLLKOAHRWYMHO-ZDUSSCGKSA-N 1 0 333.436 3.136 20 10 EGCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)CSC)cc1C ZINC001177855908 1386065177 /nfs/dbraw/zinc/06/51/77/1386065177.db2.gz ODAKRVSTVVXTHM-UHFFFAOYSA-N 1 0 338.517 3.133 20 10 EGCDRO CCOc1ccc(N2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC001319611631 1386209361 /nfs/dbraw/zinc/20/93/61/1386209361.db2.gz GETPCPTVHGHCPV-SFHVURJKSA-N 1 0 331.504 3.082 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC001320123609 1386526846 /nfs/dbraw/zinc/52/68/46/1386526846.db2.gz SWKIBKVOHLXXML-BRWVUGGUSA-N 1 0 332.488 3.195 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001321027051 1386787276 /nfs/dbraw/zinc/78/72/76/1386787276.db2.gz IKOCFOQFSSQWDI-IJLUTSLNSA-N 1 0 342.361 3.002 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1(C)CC[NH+](C)CC1 ZINC001181994232 1387088953 /nfs/dbraw/zinc/08/89/53/1387088953.db2.gz MTSCXUHZBPIJRU-SFHVURJKSA-N 1 0 344.499 3.481 20 10 EGCDRO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC001182341717 1387152322 /nfs/dbraw/zinc/15/23/22/1387152322.db2.gz SFESPEOOQNYBIU-LJQANCHMSA-N 1 0 338.451 3.229 20 10 EGCDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1c(O)ccc3ccncc31)CC2 ZINC001322474069 1387193104 /nfs/dbraw/zinc/19/31/04/1387193104.db2.gz BUCZOOBPGDBDPT-UHFFFAOYSA-N 1 0 335.363 3.407 20 10 EGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2c(O)cccc2Br)CCO1 ZINC001329723753 1389210099 /nfs/dbraw/zinc/21/00/99/1389210099.db2.gz XSHOWCYZIRUWEY-NEPJUHHUSA-N 1 0 328.250 3.450 20 10 EGCDRO c1snnc1CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001329732489 1389210581 /nfs/dbraw/zinc/21/05/81/1389210581.db2.gz HEJLXNPFRTXEFR-UHFFFAOYSA-N 1 0 336.464 3.391 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC001330621235 1389473061 /nfs/dbraw/zinc/47/30/61/1389473061.db2.gz JAIDEJORDKFNGM-OAQYLSRUSA-N 1 0 344.499 3.447 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(CCNC3=O)CC2)ccc1N1CCCCC1 ZINC001333469947 1390312481 /nfs/dbraw/zinc/31/24/81/1390312481.db2.gz FVDSPPURMQNSDW-UHFFFAOYSA-N 1 0 341.499 3.087 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c(O)c1OC ZINC001351999076 1391742019 /nfs/dbraw/zinc/74/20/19/1391742019.db2.gz DWSYSIKITSAUKW-CQSZACIVSA-N 1 0 334.441 3.415 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cc(C)[nH]c2C)cc1C ZINC001753715475 1440471791 /nfs/dbraw/zinc/47/17/91/1440471791.db2.gz YAHPDFDAKPBFEF-HNNXBMFYSA-N 1 0 343.471 3.199 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)c2ccco2)cc1C ZINC001754169116 1440546773 /nfs/dbraw/zinc/54/67/73/1440546773.db2.gz GKKGIBVFPUCZRT-APHBUQMISA-N 1 0 342.439 3.162 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)c2occc2C)C2CC2)cc1C ZINC001754433319 1440597518 /nfs/dbraw/zinc/59/75/18/1440597518.db2.gz CXOMXBJKGVLGNB-KRWDZBQOSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccsc2)cc1C ZINC001755227074 1440786179 /nfs/dbraw/zinc/78/61/79/1440786179.db2.gz ROVSCEZGHGHDGG-UONOGXRCSA-N 1 0 332.469 3.362 20 10 EGCDRO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)c2ccco2)cc1C ZINC001755278608 1440799926 /nfs/dbraw/zinc/79/99/26/1440799926.db2.gz KCFYZQSXTRQASQ-UHFFFAOYSA-N 1 0 344.455 3.485 20 10 EGCDRO CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC001755766468 1440916333 /nfs/dbraw/zinc/91/63/33/1440916333.db2.gz KRXWCMHGTXNCCC-OAHLLOKOSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2C)C(C)(C)C)cc1C ZINC001755830332 1440928498 /nfs/dbraw/zinc/92/84/98/1440928498.db2.gz MBEBMPZKNOVUBB-QBIMZIAESA-N 1 0 332.488 3.280 20 10 EGCDRO C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594227276 998871777 /nfs/dbraw/zinc/87/17/77/998871777.db2.gz ZUWONUCVWMWUIZ-OAGGEKHMSA-N 1 0 348.487 3.499 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc(OC)c1O ZINC000298895065 202401905 /nfs/dbraw/zinc/40/19/05/202401905.db2.gz VKTNIIWBTKZWNE-UHFFFAOYSA-N 1 0 330.428 3.107 20 10 EGCDRO COc1cccc(C[NH2+]CCCc2nc3ccccc3n2C)c1O ZINC000076272163 203344463 /nfs/dbraw/zinc/34/44/63/203344463.db2.gz LJKYUJDYXQAPOE-UHFFFAOYSA-N 1 0 325.412 3.010 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCn2cc(Br)cn2)c(O)c1C ZINC000285605275 455880938 /nfs/dbraw/zinc/88/09/38/455880938.db2.gz ISYHSZNJWMYPGZ-LBPRGKRZSA-N 1 0 338.249 3.319 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000237820744 455222483 /nfs/dbraw/zinc/22/24/83/455222483.db2.gz YTWQNNSWEGMGJG-QGZVFWFLSA-N 1 0 325.456 3.213 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000180704900 455231219 /nfs/dbraw/zinc/23/12/19/455231219.db2.gz CNQWAWCDSVIATL-HOTGVXAUSA-N 1 0 333.453 3.087 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180717819 455233027 /nfs/dbraw/zinc/23/30/27/455233027.db2.gz WDCGJONPACISRW-HOCLYGCPSA-N 1 0 347.411 3.091 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1O ZINC000183381333 455285330 /nfs/dbraw/zinc/28/53/30/455285330.db2.gz RXKPZWCIQGAPGP-KXBFYZLASA-N 1 0 344.430 3.255 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057174223 454108882 /nfs/dbraw/zinc/10/88/82/454108882.db2.gz UEZWRTFJWUPGSK-IBGZPJMESA-N 1 0 338.451 3.263 20 10 EGCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(OC)ccc1O)CCO2 ZINC000089726514 454183473 /nfs/dbraw/zinc/18/34/73/454183473.db2.gz UOPQFRFRVNOZGI-KRWDZBQOSA-N 1 0 329.396 3.413 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119373338 454190403 /nfs/dbraw/zinc/19/04/03/454190403.db2.gz KHOGTMOURPPJIX-ZBFHGGJFSA-N 1 0 336.451 3.271 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000130685253 454213214 /nfs/dbraw/zinc/21/32/14/454213214.db2.gz YZTXIDLUIIQOJB-NRFANRHFSA-N 1 0 340.467 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)cc1C ZINC000078302990 454227440 /nfs/dbraw/zinc/22/74/40/454227440.db2.gz GJIOVYHTCCEGTG-GOSISDBHSA-N 1 0 344.455 3.068 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000090885630 454348877 /nfs/dbraw/zinc/34/88/77/454348877.db2.gz GDQVXLCXGAXUKN-UZLBHIALSA-N 1 0 342.487 3.185 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(O)c1 ZINC000092706439 454614141 /nfs/dbraw/zinc/61/41/41/454614141.db2.gz RRZPIAAMFAQTKL-MRXNPFEDSA-N 1 0 348.487 3.165 20 10 EGCDRO Cc1cccc(NC(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000092760335 454627868 /nfs/dbraw/zinc/62/78/68/454627868.db2.gz JMGHVGZBZMRCCN-UHFFFAOYSA-N 1 0 339.439 3.359 20 10 EGCDRO CNC(=O)CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000093587991 454722337 /nfs/dbraw/zinc/72/23/37/454722337.db2.gz NTXHSVPYCKGXBJ-UHFFFAOYSA-N 1 0 338.451 3.407 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1O ZINC000093638123 454725766 /nfs/dbraw/zinc/72/57/66/454725766.db2.gz XFEREKAWHOZUKH-NRFANRHFSA-N 1 0 339.435 3.465 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCOC2)c1O ZINC000124592254 454751321 /nfs/dbraw/zinc/75/13/21/454751321.db2.gz JZDKPXGCBVNXCU-GFCCVEGCSA-N 1 0 328.250 3.322 20 10 EGCDRO COCC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000124643190 454756150 /nfs/dbraw/zinc/75/61/50/454756150.db2.gz GYKRHSAXEWAMER-ZIAGYGMSSA-N 1 0 328.403 3.271 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000177262911 454844166 /nfs/dbraw/zinc/84/41/66/454844166.db2.gz DONJPXJYEXNNLT-LBPRGKRZSA-N 1 0 349.818 3.319 20 10 EGCDRO COCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163413149 454845893 /nfs/dbraw/zinc/84/58/93/454845893.db2.gz UZTJQWCYMDKWQH-CYBMUJFWSA-N 1 0 346.393 3.057 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000184894132 455469165 /nfs/dbraw/zinc/46/91/65/455469165.db2.gz QMCOWNOMFQDOAG-KRWDZBQOSA-N 1 0 340.467 3.384 20 10 EGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000154135823 454868316 /nfs/dbraw/zinc/86/83/16/454868316.db2.gz VEPRTDLXNAZAJN-LJQANCHMSA-N 1 0 346.496 3.267 20 10 EGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000184978200 455480787 /nfs/dbraw/zinc/48/07/87/455480787.db2.gz JVIWAYXFXSEGTH-NSHDSACASA-N 1 0 338.249 3.470 20 10 EGCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000126340174 454886761 /nfs/dbraw/zinc/88/67/61/454886761.db2.gz YEFWIQGQVGBMNR-WMZOPIPTSA-N 1 0 329.488 3.338 20 10 EGCDRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000165103977 454894128 /nfs/dbraw/zinc/89/41/28/454894128.db2.gz QRNKQLWXVXLQGI-MRXNPFEDSA-N 1 0 339.483 3.348 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c(O)c1 ZINC000154716408 454923022 /nfs/dbraw/zinc/92/30/22/454923022.db2.gz QFMLLRFAIKNOSB-UUOWRZLLSA-N 1 0 347.480 3.390 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)n1-c1cccc(C)c1 ZINC000113457622 454927388 /nfs/dbraw/zinc/92/73/88/454927388.db2.gz CQIJURKOJGDRPI-GOSISDBHSA-N 1 0 339.483 3.426 20 10 EGCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 ZINC000179016833 454999179 /nfs/dbraw/zinc/99/91/79/454999179.db2.gz XHQJRLPGNRRDRA-HNNXBMFYSA-N 1 0 345.874 3.429 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000129015775 455094169 /nfs/dbraw/zinc/09/41/69/455094169.db2.gz QRCCIHBGPMAZJT-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCN(C(C)C)C(C)C)CC2)cc1 ZINC000156244255 455097522 /nfs/dbraw/zinc/09/75/22/455097522.db2.gz GNGUVANJPWGGJL-UHFFFAOYSA-N 1 0 333.520 3.372 20 10 EGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(OC)ccc1O ZINC000180049761 455122448 /nfs/dbraw/zinc/12/24/48/455122448.db2.gz LOOFISYBQPBNFU-UHFFFAOYSA-N 1 0 342.439 3.125 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000189281912 455169697 /nfs/dbraw/zinc/16/96/97/455169697.db2.gz GIUWFECJKYUBJV-MDZLAQPJSA-N 1 0 328.250 3.275 20 10 EGCDRO COc1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1C ZINC000237362167 455177611 /nfs/dbraw/zinc/17/76/11/455177611.db2.gz DPZQGVSPAFWAQO-UHFFFAOYSA-N 1 0 332.488 3.128 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CCC(C)(CO)CC2)c1O ZINC000184067736 455351196 /nfs/dbraw/zinc/35/11/96/455351196.db2.gz JXWJSWWJOUXPOY-UHFFFAOYSA-N 1 0 328.250 3.058 20 10 EGCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000174117785 455361531 /nfs/dbraw/zinc/36/15/31/455361531.db2.gz YELJTTCTRLFXTH-QGZVFWFLSA-N 1 0 340.471 3.045 20 10 EGCDRO Cc1n[nH]cc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622301 455407053 /nfs/dbraw/zinc/40/70/53/455407053.db2.gz JSUOKZWVOFZGON-CQSZACIVSA-N 1 0 336.386 3.078 20 10 EGCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCCCC3)cc1)CC2 ZINC000160298868 455446389 /nfs/dbraw/zinc/44/63/89/455446389.db2.gz FXCHAZUMYRDHFR-YJBOKZPZSA-N 1 0 339.487 3.242 20 10 EGCDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000184955500 455478467 /nfs/dbraw/zinc/47/84/67/455478467.db2.gz ZODPWQACNAFSQU-GFCCVEGCSA-N 1 0 334.851 3.257 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000185053753 455493446 /nfs/dbraw/zinc/49/34/46/455493446.db2.gz XDWUGWGOWUJYNZ-HNNXBMFYSA-N 1 0 341.455 3.111 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)cc(OC)c1)c1ccccc1O ZINC000185211704 455522541 /nfs/dbraw/zinc/52/25/41/455522541.db2.gz HNAIUMRBCCNOKR-IEBWSBKVSA-N 1 0 331.412 3.184 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(=O)NC(C)(C)C ZINC000185218154 455523823 /nfs/dbraw/zinc/52/38/23/455523823.db2.gz SFXWQTGOLXDEGN-NXEZZACHSA-N 1 0 343.265 3.109 20 10 EGCDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000267901618 455562347 /nfs/dbraw/zinc/56/23/47/455562347.db2.gz LKTZXPPGURNJLX-KXBFYZLASA-N 1 0 327.424 3.343 20 10 EGCDRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000185547661 455576375 /nfs/dbraw/zinc/57/63/75/455576375.db2.gz HJHBAEBSCUEKEX-CYBMUJFWSA-N 1 0 330.403 3.126 20 10 EGCDRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000185701677 455601118 /nfs/dbraw/zinc/60/11/18/455601118.db2.gz VMPOZQRXAKNAQP-AAEUAGOBSA-N 1 0 344.249 3.001 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H](O)c2ccc(F)cc2)ccc1OC ZINC000277645106 455622296 /nfs/dbraw/zinc/62/22/96/455622296.db2.gz DWTCCWBCTNPTLJ-SFHVURJKSA-N 1 0 333.403 3.194 20 10 EGCDRO Cc1cnc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)s1 ZINC000277769348 455659986 /nfs/dbraw/zinc/65/99/86/455659986.db2.gz WRHBKRJXARDDBQ-UHFFFAOYSA-N 1 0 332.425 3.265 20 10 EGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000271517927 455668586 /nfs/dbraw/zinc/66/85/86/455668586.db2.gz MRSLNKKZEFOFNW-ZFWWWQNUSA-N 1 0 328.250 3.448 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c(O)c1 ZINC000186013754 455674660 /nfs/dbraw/zinc/67/46/60/455674660.db2.gz XSESOTOJQWUHLI-AWEZNQCLSA-N 1 0 330.403 3.310 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271572020 455688093 /nfs/dbraw/zinc/68/80/93/455688093.db2.gz YZUAYUIYKIDKCL-DOTOQJQBSA-N 1 0 348.462 3.415 20 10 EGCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000292788302 455757725 /nfs/dbraw/zinc/75/77/25/455757725.db2.gz MBBYJKOCJDPEMO-UHFFFAOYSA-N 1 0 346.383 3.343 20 10 EGCDRO Cc1nnsc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000293632597 455793417 /nfs/dbraw/zinc/79/34/17/455793417.db2.gz KHSXVBUSILTIBA-SSDOTTSWSA-N 1 0 328.235 3.165 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000293723008 455796393 /nfs/dbraw/zinc/79/63/93/455796393.db2.gz PRSHGCYDHCTABQ-KGLIPLIRSA-N 1 0 330.403 3.469 20 10 EGCDRO CCN(C)C(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294461073 455817019 /nfs/dbraw/zinc/81/70/19/455817019.db2.gz WGCRPGVSMSCVPC-SFHVURJKSA-N 1 0 326.440 3.134 20 10 EGCDRO CC(C)(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C(N)=O ZINC000294662325 455822671 /nfs/dbraw/zinc/82/26/71/455822671.db2.gz HIYRKYLXSSPJFI-KRWDZBQOSA-N 1 0 326.440 3.167 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC4(C3)CCOCC4)cc2)CC1 ZINC000295128162 455839859 /nfs/dbraw/zinc/83/98/59/455839859.db2.gz XREJAXXBOIHHPZ-UHFFFAOYSA-N 1 0 344.499 3.304 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCCO1 ZINC000278548549 455839877 /nfs/dbraw/zinc/83/98/77/455839877.db2.gz BFMWBZVRBPXJMV-UYAOXDASSA-N 1 0 327.424 3.343 20 10 EGCDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000279621604 455869654 /nfs/dbraw/zinc/86/96/54/455869654.db2.gz AVAWLDMDGDIUBV-QGZVFWFLSA-N 1 0 338.451 3.407 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(NC(=O)OC)c2)c1 ZINC000285646553 455887970 /nfs/dbraw/zinc/88/79/70/455887970.db2.gz YCJXIDCNGZDOHF-UHFFFAOYSA-N 1 0 330.384 3.259 20 10 EGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000280164541 455906975 /nfs/dbraw/zinc/90/69/75/455906975.db2.gz BEDQIWRZXRXJTM-RTBURBONSA-N 1 0 334.504 3.048 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(C)cc1O ZINC000280175781 455909022 /nfs/dbraw/zinc/90/90/22/455909022.db2.gz RJIVWZXEMGWNJO-SFHVURJKSA-N 1 0 347.480 3.486 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccc(C)cc1O ZINC000280289845 455937870 /nfs/dbraw/zinc/93/78/70/455937870.db2.gz ZDACYBHVFBIEHM-SFHVURJKSA-N 1 0 342.439 3.066 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCCCNC2=O)cc1 ZINC000296561806 455974522 /nfs/dbraw/zinc/97/45/22/455974522.db2.gz VFQOWOCRSATVFS-GOSISDBHSA-N 1 0 343.496 3.143 20 10 EGCDRO O=C1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)CN1Cc1ccccc1 ZINC000296736109 456023432 /nfs/dbraw/zinc/02/34/32/456023432.db2.gz JCORPTOSEUAPDX-WMZOPIPTSA-N 1 0 336.435 3.018 20 10 EGCDRO O=C1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1c1c(F)cccc1F ZINC000296739566 456025365 /nfs/dbraw/zinc/02/53/65/456025365.db2.gz JGMATMRQLWGSNI-DOMZBBRYSA-N 1 0 344.361 3.053 20 10 EGCDRO CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287306072 456066506 /nfs/dbraw/zinc/06/65/06/456066506.db2.gz CSEOUYIQQVABSP-AWEZNQCLSA-N 1 0 347.286 3.196 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000287593069 456074014 /nfs/dbraw/zinc/07/40/14/456074014.db2.gz RSMMJKLINOXOQA-HZPDHXFCSA-N 1 0 331.460 3.031 20 10 EGCDRO C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4cccc(O)c43)nc2)C1 ZINC000296967094 456077567 /nfs/dbraw/zinc/07/75/67/456077567.db2.gz RJULCPAYOGLGQA-IRXDYDNUSA-N 1 0 338.455 3.027 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000272868732 456096365 /nfs/dbraw/zinc/09/63/65/456096365.db2.gz OGMFDQYTRMNDGT-ZIAGYGMSSA-N 1 0 348.468 3.054 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000288643864 456101329 /nfs/dbraw/zinc/10/13/29/456101329.db2.gz ATHDOSVWCWZABG-OAQYLSRUSA-N 1 0 342.458 3.319 20 10 EGCDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(Br)cc1O ZINC000280987202 456102078 /nfs/dbraw/zinc/10/20/78/456102078.db2.gz JKXHMJWWQIEOBE-OVWNDWIMSA-N 1 0 346.290 3.107 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)cc1OC ZINC000272889180 456102757 /nfs/dbraw/zinc/10/27/57/456102757.db2.gz JGBYUAWPUPJBBJ-ZDUSSCGKSA-N 1 0 329.396 3.193 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cnn(C)c1 ZINC000281040330 456117340 /nfs/dbraw/zinc/11/73/40/456117340.db2.gz ZHOSYVPSSTVJSB-LLVKDONJSA-N 1 0 326.366 3.356 20 10 EGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Br)ccc1O ZINC000289233017 456119497 /nfs/dbraw/zinc/11/94/97/456119497.db2.gz DDNLKLJXTKGLMK-RLTXXFFMSA-N 1 0 338.245 3.010 20 10 EGCDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(OC)c1O ZINC000289558448 456129899 /nfs/dbraw/zinc/12/98/99/456129899.db2.gz YIKIXAOCGSAOTP-QGZVFWFLSA-N 1 0 333.403 3.277 20 10 EGCDRO COCCN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263651921 456182630 /nfs/dbraw/zinc/18/26/30/456182630.db2.gz DKPGAUYFUIMWNJ-UHFFFAOYSA-N 1 0 340.467 3.260 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1OC ZINC000236831207 456190407 /nfs/dbraw/zinc/19/04/07/456190407.db2.gz QDMBNZDWRFZNDB-UHFFFAOYSA-N 1 0 331.412 3.488 20 10 EGCDRO Cc1nccn1CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273363787 456225579 /nfs/dbraw/zinc/22/55/79/456225579.db2.gz DPQGBLHVCSETTH-NSHDSACASA-N 1 0 338.249 3.401 20 10 EGCDRO C[C@H]([NH2+]CCNc1ccccn1)c1ccc(Br)cc1O ZINC000273575665 456239708 /nfs/dbraw/zinc/23/97/08/456239708.db2.gz LRYXWIINQBJVJB-NSHDSACASA-N 1 0 336.233 3.312 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237218867 456248224 /nfs/dbraw/zinc/24/82/24/456248224.db2.gz ICBUOSWYHKKXOJ-HXUWFJFHSA-N 1 0 329.488 3.168 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)n1-c1ccccn1 ZINC000274420604 456257784 /nfs/dbraw/zinc/25/77/84/456257784.db2.gz DGCVIRIMKBXQJA-QGZVFWFLSA-N 1 0 340.471 3.092 20 10 EGCDRO CCC[NH+](CCC)CCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000274959304 456268534 /nfs/dbraw/zinc/26/85/34/456268534.db2.gz TZUNNVMHMJZBGD-OAHLLOKOSA-N 1 0 336.476 3.047 20 10 EGCDRO COC(=O)c1cccc(NC2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000290385781 456312654 /nfs/dbraw/zinc/31/26/54/456312654.db2.gz IMEHUSIEQPYRFA-UHFFFAOYSA-N 1 0 340.423 3.255 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000290385497 456313654 /nfs/dbraw/zinc/31/36/54/456313654.db2.gz RXPFGXATUDLVIL-QMIHWGKISA-N 1 0 326.440 3.288 20 10 EGCDRO C[C@@H]1CN(c2ccccc2C[N@H+](C)Cc2ccccc2O)CCO1 ZINC000297889919 456318286 /nfs/dbraw/zinc/31/82/86/456318286.db2.gz QWKWQCJTFXCQOR-MRXNPFEDSA-N 1 0 326.440 3.249 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccc(N(C)C)cc1 ZINC000275958824 456358129 /nfs/dbraw/zinc/35/81/29/456358129.db2.gz VLHKPELKCXLVHU-IBGZPJMESA-N 1 0 341.503 3.494 20 10 EGCDRO CCOc1cccc(CN(Cc2ccco2)C2CC[NH+](C)CC2)c1O ZINC000290572272 456369674 /nfs/dbraw/zinc/36/96/74/456369674.db2.gz TXJGDNZFKCGQJS-UHFFFAOYSA-N 1 0 344.455 3.480 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1O ZINC000276095345 456387851 /nfs/dbraw/zinc/38/78/51/456387851.db2.gz YKJNARXQGIUDRV-CYBMUJFWSA-N 1 0 328.250 3.056 20 10 EGCDRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000276592137 456523462 /nfs/dbraw/zinc/52/34/62/456523462.db2.gz DGCZQKCTWLOATJ-OAHLLOKOSA-N 1 0 338.467 3.254 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1O ZINC000305712353 456551328 /nfs/dbraw/zinc/55/13/28/456551328.db2.gz FUFMMGGMXBGJKE-LJQANCHMSA-N 1 0 345.826 3.172 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3NC)c2)CC1 ZINC000299033010 456590569 /nfs/dbraw/zinc/59/05/69/456590569.db2.gz RVPLKPXQAAHJKG-UHFFFAOYSA-N 1 0 338.455 3.123 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000291358299 456618857 /nfs/dbraw/zinc/61/88/57/456618857.db2.gz XZLWDCNEKFROSK-IBGZPJMESA-N 1 0 347.842 3.190 20 10 EGCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000276924576 456621327 /nfs/dbraw/zinc/62/13/27/456621327.db2.gz RIIWDJOKCUIZAW-KDOFPFPSSA-N 1 0 338.467 3.108 20 10 EGCDRO COc1cccc(C2(C[NH2+]Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC000291469414 456653225 /nfs/dbraw/zinc/65/32/25/456653225.db2.gz DQMARBWZRHUTNM-UHFFFAOYSA-N 1 0 343.423 3.239 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000291490847 456659105 /nfs/dbraw/zinc/65/91/05/456659105.db2.gz GNKHABRCHWYHEH-CJNGLKHVSA-N 1 0 325.836 3.444 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@]1=O ZINC000277447490 456828222 /nfs/dbraw/zinc/82/82/22/456828222.db2.gz JRCMPJISYAKXAX-IQMFZBJNSA-N 1 0 329.465 3.402 20 10 EGCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000355642103 457397149 /nfs/dbraw/zinc/39/71/49/457397149.db2.gz SVIQQUVQJJLHAG-INIZCTEOSA-N 1 0 342.487 3.160 20 10 EGCDRO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000361070981 457562702 /nfs/dbraw/zinc/56/27/02/457562702.db2.gz ZIDBLQOYBVAZJY-IBGZPJMESA-N 1 0 340.398 3.479 20 10 EGCDRO COc1c(O)c(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755942 457686975 /nfs/dbraw/zinc/68/69/75/457686975.db2.gz CUAQKAKWORQERM-MLGOLLRUSA-N 1 0 343.383 3.287 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1O ZINC000368225025 458019478 /nfs/dbraw/zinc/01/94/78/458019478.db2.gz GDRZLWVHFRUSDR-FQEVSTJZSA-N 1 0 325.408 3.371 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1O ZINC000362241645 458046713 /nfs/dbraw/zinc/04/67/13/458046713.db2.gz YGYSAGMIBLSWCX-HIFRSBDPSA-N 1 0 326.234 3.120 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2CCC[C@H](OC)CC2)c1O ZINC000377247799 458494488 /nfs/dbraw/zinc/49/44/88/458494488.db2.gz CGFWCIBDUMQDPU-ZDUSSCGKSA-N 1 0 344.249 3.164 20 10 EGCDRO C[C@@H]1CCCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc21 ZINC000592563241 459631225 /nfs/dbraw/zinc/63/12/25/459631225.db2.gz YKFVXQYHNLOEQE-CABCVRRESA-N 1 0 338.455 3.263 20 10 EGCDRO CN1C[C@H]([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1=O ZINC000726797476 574572029 /nfs/dbraw/zinc/57/20/29/574572029.db2.gz GBOHSXMUYDHVIM-OAHLLOKOSA-N 1 0 332.488 3.308 20 10 EGCDRO c1ccc(-c2ccc(NCC[NH2+]Cc3ccc4c(c3)CCO4)nn2)cc1 ZINC000727644752 574680249 /nfs/dbraw/zinc/68/02/49/574680249.db2.gz PUIGYGQYAZSQRR-UHFFFAOYSA-N 1 0 346.434 3.280 20 10 EGCDRO CC[NH+](CC)CCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731868834 575216671 /nfs/dbraw/zinc/21/66/71/575216671.db2.gz ZBCOFVPUJCWNAW-UHFFFAOYSA-N 1 0 334.441 3.427 20 10 EGCDRO COc1ccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)cc1C ZINC000732232208 575249654 /nfs/dbraw/zinc/24/96/54/575249654.db2.gz GHLIVWQHINVQSN-UHFFFAOYSA-N 1 0 338.451 3.463 20 10 EGCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000732672163 575282101 /nfs/dbraw/zinc/28/21/01/575282101.db2.gz AANUHPXJDXHXOJ-FQEVSTJZSA-N 1 0 337.504 3.474 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1C ZINC000738108692 576289361 /nfs/dbraw/zinc/28/93/61/576289361.db2.gz GUXUUADYMAPBSP-OAHLLOKOSA-N 1 0 334.460 3.450 20 10 EGCDRO COC[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000739923736 576520551 /nfs/dbraw/zinc/52/05/51/576520551.db2.gz XEXVQBSORGCMIS-INIZCTEOSA-N 1 0 344.430 3.384 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000741678130 576710424 /nfs/dbraw/zinc/71/04/24/576710424.db2.gz KKANUQWGAHGCPO-MRXNPFEDSA-N 1 0 331.504 3.412 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000742248179 576762220 /nfs/dbraw/zinc/76/22/20/576762220.db2.gz BVFKCEPAZBYGBA-UHFFFAOYSA-N 1 0 331.504 3.222 20 10 EGCDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742373310 576775117 /nfs/dbraw/zinc/77/51/17/576775117.db2.gz UPSNKNCRLILPAV-OAHLLOKOSA-N 1 0 349.475 3.472 20 10 EGCDRO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@@H]1CCOC1 ZINC000743271609 576804937 /nfs/dbraw/zinc/80/49/37/576804937.db2.gz GWABXEDJVGOUMA-SFHVURJKSA-N 1 0 332.488 3.160 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000744433251 576828076 /nfs/dbraw/zinc/82/80/76/576828076.db2.gz RMVMREZLDXFJCL-CYBMUJFWSA-N 1 0 331.435 3.303 20 10 EGCDRO CC[C@H]([NH2+][C@H](CO)CC(F)F)c1cc(Br)ccc1O ZINC000717825592 1298301763 /nfs/dbraw/zinc/30/17/63/1298301763.db2.gz ACQKIKDUFNDGBF-ONGXEEELSA-N 1 0 338.192 3.212 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CSCCS1 ZINC000691448363 1298134142 /nfs/dbraw/zinc/13/41/42/1298134142.db2.gz XUTICQFMKALQEJ-NSHDSACASA-N 1 0 334.304 3.093 20 10 EGCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000767426955 1302672215 /nfs/dbraw/zinc/67/22/15/1302672215.db2.gz WMCVVHWTBIZELC-INIZCTEOSA-N 1 0 348.240 3.207 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cc(C)c(C)cc1O ZINC000060320094 1291920276 /nfs/dbraw/zinc/92/02/76/1291920276.db2.gz LXHAZENGHIEYHQ-UHFFFAOYSA-N 1 0 342.439 3.359 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000066970702 1292137613 /nfs/dbraw/zinc/13/76/13/1292137613.db2.gz IQCGIUADJJPWDS-UHFFFAOYSA-N 1 0 332.394 3.400 20 10 EGCDRO Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)[NH+](C)C)cc1 ZINC000067704871 1292170441 /nfs/dbraw/zinc/17/04/41/1292170441.db2.gz QPBRZVVVNYWXIH-GOSISDBHSA-N 1 0 341.455 3.145 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000827775942 1292370893 /nfs/dbraw/zinc/37/08/93/1292370893.db2.gz LAYXZPXUTBZYRU-HUUCEWRRSA-N 1 0 338.423 3.138 20 10 EGCDRO CC(C)N(Cc1nc(C2CC2)nn1C)Cc1ccc(N(C)C)cc1 ZINC000827798064 1292376384 /nfs/dbraw/zinc/37/63/84/1292376384.db2.gz HXHGKUWLGXXPRK-UHFFFAOYSA-N 1 0 327.476 3.169 20 10 EGCDRO CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(O)c1 ZINC000827907576 1292399658 /nfs/dbraw/zinc/39/96/58/1292399658.db2.gz CIYIHDZUCXOTOX-UHFFFAOYSA-N 1 0 325.456 3.171 20 10 EGCDRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000827930112 1292404581 /nfs/dbraw/zinc/40/45/81/1292404581.db2.gz BLTHWVJPWXEHIV-SJLPKXTDSA-N 1 0 338.451 3.482 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCc1ccccc1 ZINC000076074259 1292418283 /nfs/dbraw/zinc/41/82/83/1292418283.db2.gz IYCKBPIFYKKDMX-INIZCTEOSA-N 1 0 326.440 3.309 20 10 EGCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000828373667 1292459001 /nfs/dbraw/zinc/45/90/01/1292459001.db2.gz YGFURPZBANSDMX-FQEVSTJZSA-N 1 0 348.487 3.123 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000828461018 1292465668 /nfs/dbraw/zinc/46/56/68/1292465668.db2.gz HVZSNECLIZDXLI-RBUKOAKNSA-N 1 0 344.499 3.160 20 10 EGCDRO COc1cc2c(cc1C[NH2+]Cc1ccc3c(c1)CCO3)O[C@H](C)C2 ZINC000078821263 1292528067 /nfs/dbraw/zinc/52/80/67/1292528067.db2.gz WLNHIEMDONLCOQ-CYBMUJFWSA-N 1 0 325.408 3.243 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090181691 1292789747 /nfs/dbraw/zinc/78/97/47/1292789747.db2.gz ZPMYBDOPRMTARL-GDBMZVCRSA-N 1 0 345.462 3.230 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000092784136 1292889450 /nfs/dbraw/zinc/88/94/50/1292889450.db2.gz NVHARNOPDKCGDG-KRWDZBQOSA-N 1 0 338.451 3.343 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC000831656138 1292903112 /nfs/dbraw/zinc/90/31/12/1292903112.db2.gz WQZBXBMZGYZPCH-IAGOWNOFSA-N 1 0 325.424 3.113 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC000831656142 1292903154 /nfs/dbraw/zinc/90/31/54/1292903154.db2.gz WQZBXBMZGYZPCH-SJORKVTESA-N 1 0 325.424 3.113 20 10 EGCDRO [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000094069801 1292940706 /nfs/dbraw/zinc/94/07/06/1292940706.db2.gz JYTJSSDJDSIIJV-UHFFFAOYSA-N 1 0 333.259 3.029 20 10 EGCDRO COc1ccc(CC[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000097494625 1292961127 /nfs/dbraw/zinc/96/11/27/1292961127.db2.gz VWAQGOMDJMEBEJ-UHFFFAOYSA-N 1 0 340.467 3.459 20 10 EGCDRO Cc1ccc([C@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCCC2)o1 ZINC000101599705 1292969018 /nfs/dbraw/zinc/96/90/18/1292969018.db2.gz PYHHWBUZFXYQCR-SFHVURJKSA-N 1 0 326.440 3.450 20 10 EGCDRO Cc1ccccc1C(C)(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267231 1292979283 /nfs/dbraw/zinc/97/92/83/1292979283.db2.gz ONXXAMFGVDTXGE-LJQANCHMSA-N 1 0 339.483 3.155 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(C(F)F)c2)cc1 ZINC000832273449 1292980085 /nfs/dbraw/zinc/98/00/85/1292980085.db2.gz OCOVDDWFNZOGQZ-INIZCTEOSA-N 1 0 333.382 3.120 20 10 EGCDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834534176 1293112614 /nfs/dbraw/zinc/11/26/14/1293112614.db2.gz HEWXSGBASLCKLT-IRXDYDNUSA-N 1 0 327.424 3.026 20 10 EGCDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000834535016 1293112879 /nfs/dbraw/zinc/11/28/79/1293112879.db2.gz XJTHCDFHYSXPEP-JKSUJKDBSA-N 1 0 328.460 3.151 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1O ZINC000834883030 1293163831 /nfs/dbraw/zinc/16/38/31/1293163831.db2.gz GVGMFECQYMJIMK-KRWDZBQOSA-N 1 0 333.453 3.345 20 10 EGCDRO CCN1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1=O ZINC000834892007 1293165614 /nfs/dbraw/zinc/16/56/14/1293165614.db2.gz UCOMLCMZVGSVPT-HKUYNNGSSA-N 1 0 338.451 3.277 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(C)cc1O ZINC000834897126 1293168611 /nfs/dbraw/zinc/16/86/11/1293168611.db2.gz PXMZIOHWVRCLPM-SIXWZSSISA-N 1 0 329.444 3.395 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccccn3)n[nH]2)c2c1c(F)ccc2O ZINC000834904767 1293171089 /nfs/dbraw/zinc/17/10/89/1293171089.db2.gz PWDLCGABFCPPDV-ZWNOBZJWSA-N 1 0 339.374 3.050 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c(O)c1C ZINC000834910585 1293173990 /nfs/dbraw/zinc/17/39/90/1293173990.db2.gz FFQPFWJKRAGBFS-ZMSDIMECSA-N 1 0 329.444 3.313 20 10 EGCDRO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1ccc(N2CCCCC2)cc1 ZINC000834916378 1293176042 /nfs/dbraw/zinc/17/60/42/1293176042.db2.gz WWJNRSGKURTDSB-DBVUQKKJSA-N 1 0 341.499 3.481 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c(OC)c1OC ZINC000115629400 1293192902 /nfs/dbraw/zinc/19/29/02/1293192902.db2.gz RZEIZBKJAHFODO-UHFFFAOYSA-N 1 0 344.455 3.377 20 10 EGCDRO COCCN(Cc1c(C)nn(C)c1C)Cc1c(O)cccc1Cl ZINC000835075120 1293200884 /nfs/dbraw/zinc/20/08/84/1293200884.db2.gz OXDGRFBPTWLUPR-UHFFFAOYSA-N 1 0 337.851 3.045 20 10 EGCDRO CCn1nccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000119214780 1293260314 /nfs/dbraw/zinc/26/03/14/1293260314.db2.gz BARSJDBTNCTAPR-INIZCTEOSA-N 1 0 348.878 3.016 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCOC1 ZINC000119617262 1293280820 /nfs/dbraw/zinc/28/08/20/1293280820.db2.gz QWLJZQAYJHZKHH-QLFBSQMISA-N 1 0 338.879 3.252 20 10 EGCDRO CC(C)COC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000121028182 1293350339 /nfs/dbraw/zinc/35/03/39/1293350339.db2.gz QYSLEIYKBDWDDF-QGZVFWFLSA-N 1 0 333.428 3.021 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1 ZINC000124950660 1293490469 /nfs/dbraw/zinc/49/04/69/1293490469.db2.gz BUJUHJJHISHBRC-AQNXPRMDSA-N 1 0 330.472 3.211 20 10 EGCDRO COCc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000125676919 1293514272 /nfs/dbraw/zinc/51/42/72/1293514272.db2.gz MGQUTTHVKQYRAY-UHFFFAOYSA-N 1 0 332.469 3.269 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000127446297 1293563733 /nfs/dbraw/zinc/56/37/33/1293563733.db2.gz NDPFQZDIRVYMGV-CQSZACIVSA-N 1 0 332.469 3.007 20 10 EGCDRO CCC[N@H+](CC(=O)NCc1ccccc1F)Cc1ccccc1O ZINC000130735515 1293666973 /nfs/dbraw/zinc/66/69/73/1293666973.db2.gz BWRVHIJTDTULPA-UHFFFAOYSA-N 1 0 330.403 3.060 20 10 EGCDRO CC(C)(C)[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000133403844 1293743438 /nfs/dbraw/zinc/74/34/38/1293743438.db2.gz YENJWXVQXDXFSP-UHFFFAOYSA-N 1 0 327.266 3.071 20 10 EGCDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000150999104 1293902463 /nfs/dbraw/zinc/90/24/63/1293902463.db2.gz HQSASXHLPNIQJS-KRWDZBQOSA-N 1 0 325.456 3.227 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000153854684 1294031152 /nfs/dbraw/zinc/03/11/52/1294031152.db2.gz OYCILALLCOJNDP-AWEZNQCLSA-N 1 0 340.851 3.439 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1O ZINC000155377422 1294094223 /nfs/dbraw/zinc/09/42/23/1294094223.db2.gz FNVIHTICLIGTEW-GOSISDBHSA-N 1 0 326.440 3.470 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cnc(C)nc3C)CC2)cc1 ZINC000157392393 1294176698 /nfs/dbraw/zinc/17/66/98/1294176698.db2.gz FJRCSRKVPSPAFL-HNNXBMFYSA-N 1 0 340.471 3.422 20 10 EGCDRO Cc1cc(Br)cc(CN2CC[NH+](C(C)(C)C)CC2)c1O ZINC000158030194 1294194580 /nfs/dbraw/zinc/19/45/80/1294194580.db2.gz APYLPZJLRSJTOC-UHFFFAOYSA-N 1 0 341.293 3.379 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000164328491 1294346298 /nfs/dbraw/zinc/34/62/98/1294346298.db2.gz SCCBLPWBHZKDON-MRXNPFEDSA-N 1 0 332.488 3.383 20 10 EGCDRO CN(c1ccc(CNC(=O)c2ccc(C[NH3+])o2)cc1)C1CCCCC1 ZINC000166470936 1294362664 /nfs/dbraw/zinc/36/26/64/1294362664.db2.gz IUNIXHGVHUUINJ-UHFFFAOYSA-N 1 0 341.455 3.437 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000172139545 1294428649 /nfs/dbraw/zinc/42/86/49/1294428649.db2.gz SGDGDIAAXWWGRJ-SFHVURJKSA-N 1 0 346.519 3.016 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@@H]3CCCO3)CC1)CCC2 ZINC000175250500 1294545752 /nfs/dbraw/zinc/54/57/52/1294545752.db2.gz SQSXSVZHWJXXKT-IBGZPJMESA-N 1 0 331.456 3.041 20 10 EGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000178900603 1294761700 /nfs/dbraw/zinc/76/17/00/1294761700.db2.gz JVETUXYHAQIMJZ-IBGZPJMESA-N 1 0 335.444 3.083 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)n1-c1cccc(Cl)c1 ZINC000179112909 1294773256 /nfs/dbraw/zinc/77/32/56/1294773256.db2.gz BDJSZFVQRSLIFQ-MRXNPFEDSA-N 1 0 331.847 3.181 20 10 EGCDRO Cc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000179616980 1294808717 /nfs/dbraw/zinc/80/87/17/1294808717.db2.gz PNUPJUZUOJIAHY-UHFFFAOYSA-N 1 0 326.440 3.169 20 10 EGCDRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)c1ccccc1 ZINC000180027384 1294853361 /nfs/dbraw/zinc/85/33/61/1294853361.db2.gz BFIFZUHAAGNGCA-OAHLLOKOSA-N 1 0 342.414 3.173 20 10 EGCDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180968102 1294928717 /nfs/dbraw/zinc/92/87/17/1294928717.db2.gz BVZQVGOZXVTSNR-PKNBQFBNSA-N 1 0 346.471 3.082 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000181404540 1294966336 /nfs/dbraw/zinc/96/63/36/1294966336.db2.gz YGYILSCKLYOYGZ-FQEVSTJZSA-N 1 0 339.483 3.152 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000182825715 1295076956 /nfs/dbraw/zinc/07/69/56/1295076956.db2.gz VQMQUWSDDJKVNZ-OAHLLOKOSA-N 1 0 349.471 3.370 20 10 EGCDRO COc1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)cc1C ZINC000182948901 1295086431 /nfs/dbraw/zinc/08/64/31/1295086431.db2.gz OJJITEWEZSESJL-SFHVURJKSA-N 1 0 327.424 3.153 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184866020 1295224844 /nfs/dbraw/zinc/22/48/44/1295224844.db2.gz VYDNHVGLFZRIQS-HNNXBMFYSA-N 1 0 332.488 3.032 20 10 EGCDRO CCN(CC[NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000185315447 1295254630 /nfs/dbraw/zinc/25/46/30/1295254630.db2.gz OUBPZSCFERIBMT-LBPRGKRZSA-N 1 0 326.412 3.439 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)c1 ZINC000186376066 1295321111 /nfs/dbraw/zinc/32/11/11/1295321111.db2.gz KXSZEAQOVLWQLL-RGUMBQAQSA-N 1 0 335.444 3.373 20 10 EGCDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000191710951 1295704227 /nfs/dbraw/zinc/70/42/27/1295704227.db2.gz WNHGJSWZFSRHHF-LAUBAEHRSA-N 1 0 326.484 3.472 20 10 EGCDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)n1-c1ccccc1C ZINC000192462085 1295764696 /nfs/dbraw/zinc/76/46/96/1295764696.db2.gz VTJWRRQTURZIRA-HDICACEKSA-N 1 0 337.467 3.036 20 10 EGCDRO CCCN(Cc1ccc(N2CCOCC2)cc1)c1ccc(C[NH3+])cc1 ZINC000194978992 1296025772 /nfs/dbraw/zinc/02/57/72/1296025772.db2.gz ISZZPCVRVNCPHI-UHFFFAOYSA-N 1 0 339.483 3.399 20 10 EGCDRO COc1cccc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)c1O ZINC000197776821 1296082686 /nfs/dbraw/zinc/08/26/86/1296082686.db2.gz FBZCIJLCORZAHV-TWGQIWQCSA-N 1 0 338.451 3.232 20 10 EGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000216020293 1296119027 /nfs/dbraw/zinc/11/90/27/1296119027.db2.gz MQYVJDQVQOMGMS-CQSZACIVSA-N 1 0 349.471 3.473 20 10 EGCDRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000237765046 1296262517 /nfs/dbraw/zinc/26/25/17/1296262517.db2.gz MNLKDCIOWKEVLY-IBGZPJMESA-N 1 0 329.419 3.090 20 10 EGCDRO COc1cc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)cc1C ZINC000245513902 1296309691 /nfs/dbraw/zinc/30/96/91/1296309691.db2.gz DNTODQHMCPEBJN-SFHVURJKSA-N 1 0 326.440 3.198 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000248039112 1296404376 /nfs/dbraw/zinc/40/43/76/1296404376.db2.gz SFNAUALDAJAHET-GUYCJALGSA-N 1 0 336.863 3.164 20 10 EGCDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000261876843 1296607403 /nfs/dbraw/zinc/60/74/03/1296607403.db2.gz TTXHSUFKZRFYAE-YOEHRIQHSA-N 1 0 325.456 3.212 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H](n2cncn2)C1 ZINC000283998514 1296733777 /nfs/dbraw/zinc/73/37/77/1296733777.db2.gz HSNLUXCJWXUCPU-NSISKUIASA-N 1 0 339.487 3.398 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000300417081 1296781422 /nfs/dbraw/zinc/78/14/22/1296781422.db2.gz KHFYOAOLPKNVJY-CABCVRRESA-N 1 0 339.277 3.261 20 10 EGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000304060882 1296897437 /nfs/dbraw/zinc/89/74/37/1296897437.db2.gz OWSGYODIUBEVRS-BONVTDFDSA-N 1 0 346.265 3.050 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000305567586 1297015130 /nfs/dbraw/zinc/01/51/30/1297015130.db2.gz DAMUPANJQURUQM-JSGCOSHPSA-N 1 0 332.444 3.458 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1C ZINC000873020907 1297229272 /nfs/dbraw/zinc/22/92/72/1297229272.db2.gz FIJGWBWMXYWONC-SFHVURJKSA-N 1 0 343.471 3.140 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@H]2CCCCO2)cc1Cn1cccn1 ZINC000873107034 1297274798 /nfs/dbraw/zinc/27/47/98/1297274798.db2.gz MEXVZWVZDXTHHC-LJQANCHMSA-N 1 0 343.471 3.379 20 10 EGCDRO CCOC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(C)C ZINC000873113368 1297275998 /nfs/dbraw/zinc/27/59/98/1297275998.db2.gz ZJVNWRBAHNCEJT-SFHVURJKSA-N 1 0 331.460 3.091 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1C ZINC000873122701 1297281960 /nfs/dbraw/zinc/28/19/60/1297281960.db2.gz UUDKKNMUWAWZSI-AZUAARDMSA-N 1 0 347.499 3.441 20 10 EGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)OC ZINC000873129765 1297287812 /nfs/dbraw/zinc/28/78/12/1297287812.db2.gz STKICELWTRFXRE-HNAYVOBHSA-N 1 0 331.460 3.091 20 10 EGCDRO CC[NH+](CC)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000384255857 1297577553 /nfs/dbraw/zinc/57/75/53/1297577553.db2.gz OHWVKSLGCOZDSF-UHFFFAOYSA-N 1 0 326.868 3.360 20 10 EGCDRO CC[C@@H]([NH2+]CCc1cnccn1)c1cc(Br)ccc1O ZINC000390113879 1297621773 /nfs/dbraw/zinc/62/17/73/1297621773.db2.gz VBUPVTJRDIVZQX-CQSZACIVSA-N 1 0 336.233 3.228 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1cc(Br)ccc1O ZINC000394098893 1297675248 /nfs/dbraw/zinc/67/52/48/1297675248.db2.gz XZRCAXGHOREOLW-FZMZJTMJSA-N 1 0 330.266 3.460 20 10 EGCDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000588528769 1298078786 /nfs/dbraw/zinc/07/87/86/1298078786.db2.gz MSVZSCLJBJQJMM-YBLMTZRHSA-N 1 0 328.250 3.441 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686278607 1298116333 /nfs/dbraw/zinc/11/63/33/1298116333.db2.gz FRWLIEVKUASDGD-NSHDSACASA-N 1 0 340.851 3.391 20 10 EGCDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000697838143 1298166007 /nfs/dbraw/zinc/16/60/07/1298166007.db2.gz JWNOQLXOTWWKAL-NWDGAFQWSA-N 1 0 326.412 3.343 20 10 EGCDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1c(O)cccc1Br ZINC000706843374 1298223393 /nfs/dbraw/zinc/22/33/93/1298223393.db2.gz UHPQOEHCLUMHLY-CYBMUJFWSA-N 1 0 336.233 3.055 20 10 EGCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1c(O)cccc1Br ZINC000706843376 1298224267 /nfs/dbraw/zinc/22/42/67/1298224267.db2.gz UHPQOEHCLUMHLY-ZDUSSCGKSA-N 1 0 336.233 3.055 20 10 EGCDRO CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)c(O)c1 ZINC000725849477 1298374194 /nfs/dbraw/zinc/37/41/94/1298374194.db2.gz JJVZFBCNEIWZTJ-UHFFFAOYSA-N 1 0 334.803 3.173 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000746581916 1298617191 /nfs/dbraw/zinc/61/71/91/1298617191.db2.gz HCSKQPDTMVCGNJ-UHFFFAOYSA-N 1 0 325.456 3.227 20 10 EGCDRO Cc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c(O)c1 ZINC000876561339 1298826695 /nfs/dbraw/zinc/82/66/95/1298826695.db2.gz RLMGGZMPRWMZEB-UHFFFAOYSA-N 1 0 340.452 3.028 20 10 EGCDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)nc1 ZINC000876596004 1298856307 /nfs/dbraw/zinc/85/63/07/1298856307.db2.gz IKLYJJNCPUDCLR-QGZVFWFLSA-N 1 0 339.439 3.255 20 10 EGCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876720992 1298940418 /nfs/dbraw/zinc/94/04/18/1298940418.db2.gz OIJJFVARXIKIHQ-OAQYLSRUSA-N 1 0 346.515 3.429 20 10 EGCDRO Cc1ccc(OCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876908143 1299061735 /nfs/dbraw/zinc/06/17/35/1299061735.db2.gz KAUFSPOXPVPFTK-UHFFFAOYSA-N 1 0 340.467 3.125 20 10 EGCDRO Nc1c(F)cccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000876943633 1299079106 /nfs/dbraw/zinc/07/91/06/1299079106.db2.gz TVNAECSKIOMAGX-UHFFFAOYSA-N 1 0 331.460 3.251 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCOC3CCCCC3)cc2)CC1 ZINC000876986234 1299101021 /nfs/dbraw/zinc/10/10/21/1299101021.db2.gz ZUTKOWYRNOGOBR-UHFFFAOYSA-N 1 0 332.488 3.087 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000877006569 1299109295 /nfs/dbraw/zinc/10/92/95/1299109295.db2.gz NIWCHKYCXIFWAN-MRXNPFEDSA-N 1 0 325.330 3.240 20 10 EGCDRO CC[C@H]1CCCCN1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877027145 1299119906 /nfs/dbraw/zinc/11/99/06/1299119906.db2.gz JITVRGMNTQTANF-IBGZPJMESA-N 1 0 345.531 3.002 20 10 EGCDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877074560 1299146148 /nfs/dbraw/zinc/14/61/48/1299146148.db2.gz AHNPFUVQYCSWAY-WIYYLYMNSA-N 1 0 346.515 3.189 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)c(O)c1 ZINC000877087411 1299152177 /nfs/dbraw/zinc/15/21/77/1299152177.db2.gz LHGUTKVSRRFGLA-GOSISDBHSA-N 1 0 327.424 3.467 20 10 EGCDRO Cc1cccc(O)c1CNc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000877095539 1299155425 /nfs/dbraw/zinc/15/54/25/1299155425.db2.gz RDJMIMVSOYVFCS-UHFFFAOYSA-N 1 0 340.471 3.238 20 10 EGCDRO Cc1ccsc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877132438 1299172893 /nfs/dbraw/zinc/17/28/93/1299172893.db2.gz DNOGMOGQSYPCRJ-UHFFFAOYSA-N 1 0 330.497 3.350 20 10 EGCDRO CCn1ccc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877472178 1299323104 /nfs/dbraw/zinc/32/31/04/1299323104.db2.gz LZIFKBHLLJCJNJ-UHFFFAOYSA-N 1 0 327.472 3.101 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(CO)c2ccccc2)c1O ZINC000750044366 1299328658 /nfs/dbraw/zinc/32/86/58/1299328658.db2.gz GGKUTOPIRLREIB-SFHVURJKSA-N 1 0 333.815 3.246 20 10 EGCDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877487252 1299339116 /nfs/dbraw/zinc/33/91/16/1299339116.db2.gz RKCUMJMFJLIKND-CXAGYDPISA-N 1 0 342.405 3.420 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000877505401 1299353567 /nfs/dbraw/zinc/35/35/67/1299353567.db2.gz SZIIQPYDGIDDTG-INIZCTEOSA-N 1 0 325.412 3.097 20 10 EGCDRO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c(O)c1 ZINC000877505543 1299354099 /nfs/dbraw/zinc/35/40/99/1299354099.db2.gz VHQQWFZZGBTLLT-KRWDZBQOSA-N 1 0 325.412 3.097 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c(O)c1 ZINC000877576046 1299411118 /nfs/dbraw/zinc/41/11/18/1299411118.db2.gz DFYPVHLAANBDCV-MRXNPFEDSA-N 1 0 336.229 3.286 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](OC)C3CCCC3)C2)cc1 ZINC000877598338 1299422926 /nfs/dbraw/zinc/42/29/26/1299422926.db2.gz LFFRFOJMQUWWDL-UZLBHIALSA-N 1 0 332.488 3.316 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1O ZINC000750823796 1299459311 /nfs/dbraw/zinc/45/93/11/1299459311.db2.gz WLNNACISDGRMTI-UHFFFAOYSA-N 1 0 329.371 3.040 20 10 EGCDRO Cc1cccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000877897363 1299626613 /nfs/dbraw/zinc/62/66/13/1299626613.db2.gz IKOHGOBYIRNFMO-UHFFFAOYSA-N 1 0 338.455 3.069 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c(O)c1 ZINC000753577179 1299978642 /nfs/dbraw/zinc/97/86/42/1299978642.db2.gz RYHPPYJLUZPOAQ-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO C[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1)c1nccs1 ZINC000753593097 1299984002 /nfs/dbraw/zinc/98/40/02/1299984002.db2.gz ARTXFRQACVULGV-AWEZNQCLSA-N 1 0 349.475 3.354 20 10 EGCDRO COc1ccc(CC[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000753858568 1300030867 /nfs/dbraw/zinc/03/08/67/1300030867.db2.gz WPRDSJOBRAUNSJ-UHFFFAOYSA-N 1 0 344.430 3.208 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000754667035 1300186982 /nfs/dbraw/zinc/18/69/82/1300186982.db2.gz CJITVNIRRIISEK-CQSZACIVSA-N 1 0 331.485 3.090 20 10 EGCDRO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Br)ccc1O ZINC000756381525 1300480194 /nfs/dbraw/zinc/48/01/94/1300480194.db2.gz MMCCLZDBQNDUPL-ZUZCIYMTSA-N 1 0 349.228 3.032 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccn(C)n1 ZINC000756430881 1300488221 /nfs/dbraw/zinc/48/82/21/1300488221.db2.gz MGEPLEXMOAUGRP-QGZVFWFLSA-N 1 0 330.501 3.214 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756432196 1300489829 /nfs/dbraw/zinc/48/98/29/1300489829.db2.gz PYLPPBQBILTVHP-WFASDCNBSA-N 1 0 346.402 3.290 20 10 EGCDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000756453299 1300494640 /nfs/dbraw/zinc/49/46/40/1300494640.db2.gz DUCCEQZIIIROKW-LLVKDONJSA-N 1 0 336.794 3.265 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2F)c2c1c(F)ccc2O ZINC000756460727 1300497061 /nfs/dbraw/zinc/49/70/61/1300497061.db2.gz RAKLIJHABBERGN-IAQYHMDHSA-N 1 0 346.377 3.238 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccn(C)n1 ZINC000756465179 1300498764 /nfs/dbraw/zinc/49/87/64/1300498764.db2.gz JIULWHNYQNXQGB-YJBOKZPZSA-N 1 0 328.460 3.059 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)c2c1c(F)ccc2O ZINC000756501700 1300508223 /nfs/dbraw/zinc/50/82/23/1300508223.db2.gz FZJRWWAMVBLAII-GXFFZTMASA-N 1 0 328.378 3.399 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CCC(=O)NCc2ccccc2)c2c1c(F)ccc2O ZINC000756511634 1300512033 /nfs/dbraw/zinc/51/20/33/1300512033.db2.gz XNPJDYTVIMUNCR-CJNGLKHVSA-N 1 0 342.414 3.376 20 10 EGCDRO C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000756546925 1300518097 /nfs/dbraw/zinc/51/80/97/1300518097.db2.gz VXTBGOQWTYLZDN-HNNXBMFYSA-N 1 0 332.488 3.032 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)c2c1c(F)ccc2O ZINC000756545067 1300518364 /nfs/dbraw/zinc/51/83/64/1300518364.db2.gz XWHQYZQNQYXITQ-GDBMZVCRSA-N 1 0 348.462 3.314 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1O ZINC000756544677 1300519028 /nfs/dbraw/zinc/51/90/28/1300519028.db2.gz LFIXQKBUGIWZSX-PWSUYJOCSA-N 1 0 325.250 3.042 20 10 EGCDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(Br)cc1O ZINC000756585082 1300526594 /nfs/dbraw/zinc/52/65/94/1300526594.db2.gz XBOAKQLIHFXFGT-WCQYABFASA-N 1 0 344.249 3.001 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000756587764 1300527097 /nfs/dbraw/zinc/52/70/97/1300527097.db2.gz CJNNCVKMAQFMHO-CXAGYDPISA-N 1 0 336.476 3.196 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c(O)c1C ZINC000756657286 1300542379 /nfs/dbraw/zinc/54/23/79/1300542379.db2.gz CVJOYHZILKETBC-YTQUADARSA-N 1 0 332.488 3.303 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756737232 1300556353 /nfs/dbraw/zinc/55/63/53/1300556353.db2.gz LKIGJOJDJAYZQE-TZMCWYRMSA-N 1 0 346.402 3.391 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000756762578 1300562304 /nfs/dbraw/zinc/56/23/04/1300562304.db2.gz UTDXSGDBTMTCLD-HOTGVXAUSA-N 1 0 348.487 3.197 20 10 EGCDRO Cc1ccc(SCCNC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648784 1300649090 /nfs/dbraw/zinc/64/90/90/1300649090.db2.gz DRIMGEUJQRPJBO-OAHLLOKOSA-N 1 0 344.480 3.260 20 10 EGCDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000757893024 1300753522 /nfs/dbraw/zinc/75/35/22/1300753522.db2.gz WZKLNLQLANJPPX-HNNXBMFYSA-N 1 0 329.419 3.250 20 10 EGCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000757918827 1300757851 /nfs/dbraw/zinc/75/78/51/1300757851.db2.gz HILZKJXJBOVIGD-OAHLLOKOSA-N 1 0 344.249 3.285 20 10 EGCDRO OC[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@H]1c1ccc(F)cc1 ZINC000758527174 1300902893 /nfs/dbraw/zinc/90/28/93/1300902893.db2.gz GXWKDLWNECUJON-ICSRJNTNSA-N 1 0 327.399 3.016 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000758528836 1300904315 /nfs/dbraw/zinc/90/43/15/1300904315.db2.gz OBWCDWVQEFINCF-FXAWDEMLSA-N 1 0 345.414 3.186 20 10 EGCDRO CCN(Cc1c(O)cccc1OC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000761225254 1301424619 /nfs/dbraw/zinc/42/46/19/1301424619.db2.gz AUNZDNCPGWNUAO-GOSISDBHSA-N 1 0 340.467 3.497 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1ccc(N(C)C)cc1 ZINC000764626010 1302103930 /nfs/dbraw/zinc/10/39/30/1302103930.db2.gz NRVMFHMEQVSSHL-UXHICEINSA-N 1 0 333.520 3.150 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000764840790 1302148205 /nfs/dbraw/zinc/14/82/05/1302148205.db2.gz QTDQZDILURRUIB-OAHLLOKOSA-N 1 0 329.488 3.194 20 10 EGCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765255488 1302231398 /nfs/dbraw/zinc/23/13/98/1302231398.db2.gz QVUKODWBBBWWJN-WBQJQJEBSA-N 1 0 343.515 3.303 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)(F)F ZINC000765789237 1302326068 /nfs/dbraw/zinc/32/60/68/1302326068.db2.gz RYLHIKGHYSLIGY-ZFWWWQNUSA-N 1 0 336.373 3.463 20 10 EGCDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765790208 1302328451 /nfs/dbraw/zinc/32/84/51/1302328451.db2.gz UKTKEWOPDXZFDQ-IRXDYDNUSA-N 1 0 349.494 3.187 20 10 EGCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765945951 1302355269 /nfs/dbraw/zinc/35/52/69/1302355269.db2.gz RJWMWVJJIUEUQR-RDTXWAMCSA-N 1 0 340.895 3.378 20 10 EGCDRO C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766592838 1302483105 /nfs/dbraw/zinc/48/31/05/1302483105.db2.gz SWCXDASZVXOEPF-OAHLLOKOSA-N 1 0 343.450 3.369 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(O)c1 ZINC000768136694 1302831675 /nfs/dbraw/zinc/83/16/75/1302831675.db2.gz BKLPZQMSRHROQJ-UHFFFAOYSA-N 1 0 330.403 3.252 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000768138267 1302833562 /nfs/dbraw/zinc/83/35/62/1302833562.db2.gz SPWDETHSYNZDAE-UHFFFAOYSA-N 1 0 330.403 3.252 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c1 ZINC000768169114 1302841721 /nfs/dbraw/zinc/84/17/21/1302841721.db2.gz PHKMTOWAMCHWOD-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1)[C@H](O)CO2 ZINC000768442592 1302902929 /nfs/dbraw/zinc/90/29/29/1302902929.db2.gz MGNMDXSPRNZKSL-FUHWJXTLSA-N 1 0 329.371 3.294 20 10 EGCDRO COc1cc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c(O)cc1C ZINC000768443096 1302903458 /nfs/dbraw/zinc/90/34/58/1302903458.db2.gz YYVCVRMKHRLUBO-UHFFFAOYSA-N 1 0 340.467 3.417 20 10 EGCDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768441494 1302904658 /nfs/dbraw/zinc/90/46/58/1302904658.db2.gz MGYAPCGXTWNRTH-IEBWSBKVSA-N 1 0 325.408 3.464 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768442436 1302904881 /nfs/dbraw/zinc/90/48/81/1302904881.db2.gz WBINOIYJAFWCSY-LPHOPBHVSA-N 1 0 325.408 3.025 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768446330 1302907277 /nfs/dbraw/zinc/90/72/77/1302907277.db2.gz MWAMFXLVMUMSLO-HKUYNNGSSA-N 1 0 343.448 3.108 20 10 EGCDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445734 1302907534 /nfs/dbraw/zinc/90/75/34/1302907534.db2.gz IVCKTCQNFUZTAH-MJGOQNOKSA-N 1 0 325.408 3.327 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768446336 1302907715 /nfs/dbraw/zinc/90/77/15/1302907715.db2.gz MWAMFXLVMUMSLO-PKOBYXMFSA-N 1 0 343.448 3.108 20 10 EGCDRO COC(=O)CC[N@@H+](Cc1cc(Br)ccc1O)CC(C)C ZINC000768848382 1302995759 /nfs/dbraw/zinc/99/57/59/1302995759.db2.gz BTEIHKWTGOJCLI-UHFFFAOYSA-N 1 0 344.249 3.176 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000769164352 1303061458 /nfs/dbraw/zinc/06/14/58/1303061458.db2.gz IFAASXQZQAFEHZ-UHFFFAOYSA-N 1 0 346.471 3.062 20 10 EGCDRO O=C1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]2CCCC[C@@H]2N1 ZINC000769192845 1303067496 /nfs/dbraw/zinc/06/74/96/1303067496.db2.gz QOEBZHBMKKDYAM-OALUTQOASA-N 1 0 336.435 3.302 20 10 EGCDRO Fc1cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)ccc1N1CCOCC1 ZINC000769390213 1303105064 /nfs/dbraw/zinc/10/50/64/1303105064.db2.gz RKBZTBMJODUJLF-MRXNPFEDSA-N 1 0 330.403 3.245 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1 ZINC000769414496 1303109973 /nfs/dbraw/zinc/10/99/73/1303109973.db2.gz SMXYIPSRUYJRNM-GOSISDBHSA-N 1 0 332.488 3.351 20 10 EGCDRO COCCC1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769421884 1303111127 /nfs/dbraw/zinc/11/11/27/1303111127.db2.gz XPCQUNBZKFZHND-UHFFFAOYSA-N 1 0 347.459 3.491 20 10 EGCDRO C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769483615 1303123701 /nfs/dbraw/zinc/12/37/01/1303123701.db2.gz QAOFWNQLCRKBLJ-AWEZNQCLSA-N 1 0 341.839 3.260 20 10 EGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000772083325 1303484507 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CN(C)c1ccc([C@H](CNC(=O)C2CC3(CCC3)C2)[NH+](C)C)cc1 ZINC000891245246 1304999524 /nfs/dbraw/zinc/99/95/24/1304999524.db2.gz BFMROLUQBYAHGF-SFHVURJKSA-N 1 0 329.488 3.052 20 10 EGCDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c(O)c1OC ZINC000891778946 1305162890 /nfs/dbraw/zinc/16/28/90/1305162890.db2.gz VOTCYILGSRXAQY-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c(O)c1OC ZINC000891786064 1305164897 /nfs/dbraw/zinc/16/48/97/1305164897.db2.gz IZXXHEBGLWANAK-INIZCTEOSA-N 1 0 347.411 3.184 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(COC(=O)N3)CC2)c(O)c(C(C)(C)C)c1 ZINC000784024489 1305177920 /nfs/dbraw/zinc/17/79/20/1305177920.db2.gz ZSRBFZJXKFONLD-UHFFFAOYSA-N 1 0 332.444 3.073 20 10 EGCDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c(O)c1OC ZINC000892194095 1305277674 /nfs/dbraw/zinc/27/76/74/1305277674.db2.gz RZSBMGWAIJZSFD-MRXNPFEDSA-N 1 0 330.428 3.475 20 10 EGCDRO Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C ZINC000785557737 1305379039 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COc1ccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c(O)c1OC ZINC000893989570 1306166720 /nfs/dbraw/zinc/16/67/20/1306166720.db2.gz ZGIIDXIWMVFFRC-OAHLLOKOSA-N 1 0 335.444 3.381 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000894207173 1306276158 /nfs/dbraw/zinc/27/61/58/1306276158.db2.gz RMJYQDSOJCWRMJ-QGZVFWFLSA-N 1 0 342.439 3.018 20 10 EGCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H](C)O2 ZINC000790395072 1306315750 /nfs/dbraw/zinc/31/57/50/1306315750.db2.gz BGTZGWPMJBLJAA-CKNLXJGOSA-N 1 0 349.471 3.164 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790460770 1306330708 /nfs/dbraw/zinc/33/07/08/1306330708.db2.gz PQUSRDIGNVSNIL-INIZCTEOSA-N 1 0 330.472 3.195 20 10 EGCDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894315815 1306339155 /nfs/dbraw/zinc/33/91/55/1306339155.db2.gz NFBCOSITMHVYEV-AWEZNQCLSA-N 1 0 331.412 3.275 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000790892007 1308882520 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COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc(F)c(C)c3)C2)cc1 ZINC000895005612 1309151764 /nfs/dbraw/zinc/15/17/64/1309151764.db2.gz HIIDKPHONUPOBM-OAHLLOKOSA-N 1 0 329.419 3.154 20 10 EGCDRO CN(C)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000792914731 1309258408 /nfs/dbraw/zinc/25/84/08/1309258408.db2.gz DXSFSKDFXGCAJB-IRXDYDNUSA-N 1 0 341.421 3.488 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000793610015 1309415432 /nfs/dbraw/zinc/41/54/32/1309415432.db2.gz NYVRNTOXXFAMAG-CRAIPNDOSA-N 1 0 327.424 3.211 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1 ZINC000793620656 1309419555 /nfs/dbraw/zinc/41/95/55/1309419555.db2.gz QSVWIUCEGHWRLG-LJQANCHMSA-N 1 0 340.467 3.150 20 10 EGCDRO CCn1cc(CC[N@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000794559462 1309546246 /nfs/dbraw/zinc/54/62/46/1309546246.db2.gz GZMMOWWUTCRQNL-UHFFFAOYSA-N 1 0 325.412 3.447 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H](O)c1ccccc1 ZINC000895947977 1309607091 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CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897555239 1310378671 /nfs/dbraw/zinc/37/86/71/1310378671.db2.gz QELZXEBWMFPXOX-KRWDZBQOSA-N 1 0 347.503 3.436 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)Cc2cccnc2)cc1Cn1cccn1 ZINC000897965211 1310531697 /nfs/dbraw/zinc/53/16/97/1310531697.db2.gz OGAUCNMOVCUURD-MRXNPFEDSA-N 1 0 336.439 3.056 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCc3cccnc32)N(C)C)cc1 ZINC000898450929 1310741702 /nfs/dbraw/zinc/74/17/02/1310741702.db2.gz VTJUUJYHIVGLIE-VQTJNVASSA-N 1 0 338.499 3.418 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000898451882 1310742211 /nfs/dbraw/zinc/74/22/11/1310742211.db2.gz QABULBOFAOISHF-IBGZPJMESA-N 1 0 342.443 3.053 20 10 EGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000800473731 1310765106 /nfs/dbraw/zinc/76/51/06/1310765106.db2.gz BIJJIFVKOBWBAJ-QRFRQXIXSA-N 1 0 332.488 3.379 20 10 EGCDRO CCCC[N@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccccc1O ZINC000801597006 1310971337 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Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)cc1Cl ZINC000826083646 1320382961 /nfs/dbraw/zinc/38/29/61/1320382961.db2.gz JPFMJZWRTHZHIC-AWEZNQCLSA-N 1 0 346.858 3.191 20 10 EGCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826538626 1320387100 /nfs/dbraw/zinc/38/71/00/1320387100.db2.gz HQIOMYCRWYMKRL-UHFFFAOYSA-N 1 0 333.815 3.359 20 10 EGCDRO CC[C@@](C)([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000839541112 1320935326 /nfs/dbraw/zinc/93/53/26/1320935326.db2.gz RPUVCWKCNKORCR-OAQYLSRUSA-N 1 0 339.483 3.284 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1O ZINC000839540224 1320935346 /nfs/dbraw/zinc/93/53/46/1320935346.db2.gz IZAFYHKQMDPXCU-SJORKVTESA-N 1 0 328.387 3.378 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)c1 ZINC000801720918 1316941695 /nfs/dbraw/zinc/94/16/95/1316941695.db2.gz BKIPKBNGQHDIOF-UHFFFAOYSA-N 1 0 337.423 3.400 20 10 EGCDRO CCCC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccccc1O ZINC000802657799 1317023796 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CN(C)c1cc(F)c(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000858196188 1328709691 /nfs/dbraw/zinc/70/96/91/1328709691.db2.gz JETNYWUOEQPEKA-OAHLLOKOSA-N 1 0 337.458 3.242 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c1O ZINC000808690684 1317716142 /nfs/dbraw/zinc/71/61/42/1317716142.db2.gz BMWPOSRCIPBYFF-IHRRRGAJSA-N 1 0 326.868 3.114 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1ccc(N(C)C)cc1 ZINC000808723412 1317723200 /nfs/dbraw/zinc/72/32/00/1317723200.db2.gz MSZOMEXWPIYPRR-FYZZASKESA-N 1 0 343.515 3.440 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C(C)(C)C ZINC000808733426 1317725821 /nfs/dbraw/zinc/72/58/21/1317725821.db2.gz VGYJTBLBOATUSP-CQSZACIVSA-N 1 0 330.266 3.384 20 10 EGCDRO COc1ccc(N(CC2CC2)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903775101 1317732245 /nfs/dbraw/zinc/73/22/45/1317732245.db2.gz HUKRONODIYUYFP-LJQANCHMSA-N 1 0 330.472 3.070 20 10 EGCDRO OC[C@]12C[C@H]1C[N@H+](Cc1ccc3c(c1)CCN3Cc1ccccc1)C2 ZINC000809650369 1317856046 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CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810226327 1317980290 /nfs/dbraw/zinc/98/02/90/1317980290.db2.gz DLIAUYSBZJMEER-JSGCOSHPSA-N 1 0 344.377 3.461 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)c1ccc(C(F)(F)F)cc1O ZINC000810229196 1317981171 /nfs/dbraw/zinc/98/11/71/1317981171.db2.gz UPIKYNXXRVJPNE-MELADBBJSA-N 1 0 344.377 3.366 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(Br)cc1O ZINC000810259984 1317989741 /nfs/dbraw/zinc/98/97/41/1317989741.db2.gz ZCNLFXDUVMUTNN-IINYFYTJSA-N 1 0 328.250 3.356 20 10 EGCDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)/C=C/c1cn(C)cn1 ZINC000905933292 1318019596 /nfs/dbraw/zinc/01/95/96/1318019596.db2.gz KBDDKCKGEWWEIZ-SXSDINLZSA-N 1 0 340.471 3.033 20 10 EGCDRO CCc1cc(C[N@@H+]2CCOC[C@H]2CCOC)c(O)c(C(C)(C)C)c1 ZINC000812299449 1318360380 /nfs/dbraw/zinc/36/03/80/1318360380.db2.gz KJSYGWXTSTYMTC-QGZVFWFLSA-N 1 0 335.488 3.489 20 10 EGCDRO COCC[C@H]1COCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000812299401 1318360686 /nfs/dbraw/zinc/36/06/86/1318360686.db2.gz JLHIUPWEWWXPME-AWEZNQCLSA-N 1 0 345.439 3.255 20 10 EGCDRO Cc1cc(Cl)cnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000812345704 1318372846 /nfs/dbraw/zinc/37/28/46/1318372846.db2.gz JWTWKMFFVPUYTC-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](CO)c3cccc(F)c3)CC2)cc1 ZINC000812833655 1318466479 /nfs/dbraw/zinc/46/64/79/1318466479.db2.gz SEDDFDYTHUEHCR-HXUWFJFHSA-N 1 0 344.430 3.126 20 10 EGCDRO Cc1cc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)ccc1N(C)C ZINC000815025699 1318869804 /nfs/dbraw/zinc/86/98/04/1318869804.db2.gz JHIBYXBQTILQSQ-CMKODMSKSA-N 1 0 345.531 3.135 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)ccc1N(C)C ZINC000815084436 1318886951 /nfs/dbraw/zinc/88/69/51/1318886951.db2.gz HFAFWCGZWLJSIE-HXUWFJFHSA-N 1 0 328.431 3.294 20 10 EGCDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815094687 1318889940 /nfs/dbraw/zinc/88/99/40/1318889940.db2.gz GMXXPBJVNMBESW-OAHLLOKOSA-N 1 0 333.476 3.018 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](CCNC(C)=O)Cc2ccsc2)cc1 ZINC000815112345 1318895174 /nfs/dbraw/zinc/89/51/74/1318895174.db2.gz OTZHGGDAYMOPIF-UHFFFAOYSA-N 1 0 345.512 3.343 20 10 EGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815565412 1319016369 /nfs/dbraw/zinc/01/63/69/1319016369.db2.gz NKJQXAWWIKNMQL-IRXDYDNUSA-N 1 0 329.440 3.408 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3occc3Cl)C2)cc1C ZINC001022661353 1319050189 /nfs/dbraw/zinc/05/01/89/1319050189.db2.gz LLPAUNUNFZTQGF-OKILXGFUSA-N 1 0 348.830 3.301 20 10 EGCDRO Oc1c(C[N@@H+]2CCCN(C[C@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816484514 1319163095 /nfs/dbraw/zinc/16/30/95/1319163095.db2.gz FLTSOZAPEDBLAQ-LJQANCHMSA-N 1 0 340.467 3.232 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@]3(C)C(C)C)C2)cc1C ZINC001022915646 1319166769 /nfs/dbraw/zinc/16/67/69/1319166769.db2.gz SGDONWRZONNXOH-BMQTXXJKSA-N 1 0 344.499 3.423 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@@]3(C)C(C)C)C2)cc1C ZINC001022915647 1319167130 /nfs/dbraw/zinc/16/71/30/1319167130.db2.gz SGDONWRZONNXOH-IIMDRIAPSA-N 1 0 344.499 3.423 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1O ZINC000816661345 1319202757 /nfs/dbraw/zinc/20/27/57/1319202757.db2.gz KQLHDJOGWPFDCW-NHYWBVRUSA-N 1 0 328.250 3.104 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000817406236 1319349517 /nfs/dbraw/zinc/34/95/17/1319349517.db2.gz KQADSFRZVDPYTO-UHFFFAOYSA-N 1 0 347.466 3.236 20 10 EGCDRO COc1ccc([C@H](NCc2ccc(N(C)C)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817896393 1319455598 /nfs/dbraw/zinc/45/55/98/1319455598.db2.gz IDFRSPAWTMPTLQ-SFTDATJTSA-N 1 0 339.483 3.344 20 10 EGCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940275 1319467975 /nfs/dbraw/zinc/46/79/75/1319467975.db2.gz FHXQBWWQAARFTC-YSSFQJQWSA-N 1 0 327.472 3.118 20 10 EGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817941918 1319470960 /nfs/dbraw/zinc/47/09/60/1319470960.db2.gz LSQYGKBBUGJHLF-SJCJKPOMSA-N 1 0 333.863 3.462 20 10 EGCDRO C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)cc(F)c1[O-] ZINC000817948043 1319473984 /nfs/dbraw/zinc/47/39/84/1319473984.db2.gz STJZMRCJJYTYBY-MFAVDMRSSA-N 1 0 331.229 3.214 20 10 EGCDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(N)cc2)c(C)c1OC ZINC000817957401 1319476257 /nfs/dbraw/zinc/47/62/57/1319476257.db2.gz MALJWEWZYXAWJH-AWEZNQCLSA-N 1 0 328.456 3.358 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817966187 1319479246 /nfs/dbraw/zinc/47/92/46/1319479246.db2.gz IHYWGKVIQCKYAP-ZUZCIYMTSA-N 1 0 345.256 3.334 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)c(F)cc1[O-] ZINC000817976896 1319484039 /nfs/dbraw/zinc/48/40/39/1319484039.db2.gz WNXLIFROJWKDRD-OTYXRUKQSA-N 1 0 343.240 3.087 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(OC)c3F)C2)cc1 ZINC000818222930 1319523208 /nfs/dbraw/zinc/52/32/08/1319523208.db2.gz YCVRYCTXEMDUPV-OAHLLOKOSA-N 1 0 344.430 3.459 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cnc(C)nc3C)C2)cc1 ZINC000818341959 1319530499 /nfs/dbraw/zinc/53/04/99/1319530499.db2.gz JNPPKKPZVSBTES-PBHICJAKSA-N 1 0 340.471 3.279 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H](C)n4ccnc43)C2)cc1 ZINC000818341601 1319530726 /nfs/dbraw/zinc/53/07/26/1319530726.db2.gz BQTPEQGZBAANQE-IIDMSEBBSA-N 1 0 326.444 3.014 20 10 EGCDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000818615041 1319570322 /nfs/dbraw/zinc/57/03/22/1319570322.db2.gz KYFNQQXKJWBQHT-MORSLUCNSA-N 1 0 337.895 3.097 20 10 EGCDRO CC1CCN(c2ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc2)CC1 ZINC000819040267 1319620066 /nfs/dbraw/zinc/62/00/66/1319620066.db2.gz YERIGJCGQWJJLB-INIZCTEOSA-N 1 0 330.394 3.326 20 10 EGCDRO CC(C)N(C(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)C(C)C ZINC000917073946 1319748616 /nfs/dbraw/zinc/74/86/16/1319748616.db2.gz JFUAXXVPBNGTLF-UHFFFAOYSA-N 1 0 331.504 3.362 20 10 EGCDRO CC(C)[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1ccc(N(C)C)cc1 ZINC000917074770 1319750558 /nfs/dbraw/zinc/75/05/58/1319750558.db2.gz FZPQZCUORSTCGI-HDICACEKSA-N 1 0 345.531 3.468 20 10 EGCDRO C[N@H+](Cc1ccccc1O)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823408806 1320177148 /nfs/dbraw/zinc/17/71/48/1320177148.db2.gz QLZKGKPVTRSILH-KXBFYZLASA-N 1 0 332.444 3.081 20 10 EGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCC34CCC4)cc2)C1 ZINC000824085297 1320227550 /nfs/dbraw/zinc/22/75/50/1320227550.db2.gz LYFHXFUGMWJVIW-MJGOQNOKSA-N 1 0 341.499 3.201 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1F ZINC000824954195 1320299609 /nfs/dbraw/zinc/29/96/09/1320299609.db2.gz PESHFENOBZJHBQ-LPHOPBHVSA-N 1 0 329.419 3.297 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1C ZINC000825110014 1320311190 /nfs/dbraw/zinc/31/11/90/1320311190.db2.gz BXCLIWRYRLRRQD-CVEARBPZSA-N 1 0 338.451 3.465 20 10 EGCDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@H]1n1cccn1 ZINC000825118170 1320312877 /nfs/dbraw/zinc/31/28/77/1320312877.db2.gz PZWBWROLQFCFJD-DJIMGWMZSA-N 1 0 333.407 3.015 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1C ZINC000825189264 1320317404 /nfs/dbraw/zinc/31/74/04/1320317404.db2.gz ZEPWQLUHHQQIQZ-IAGOWNOFSA-N 1 0 325.456 3.260 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215133 1320318754 /nfs/dbraw/zinc/31/87/54/1320318754.db2.gz IHQXTDPDBMQLKM-IBGZPJMESA-N 1 0 332.513 3.242 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1Cl ZINC000825353053 1320330989 /nfs/dbraw/zinc/33/09/89/1320330989.db2.gz KXTGKNSHRVOMGE-AWEZNQCLSA-N 1 0 325.836 3.172 20 10 EGCDRO CCOc1ccc(NC(=O)C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825421528 1320337120 /nfs/dbraw/zinc/33/71/20/1320337120.db2.gz CGEHFXLETSATIG-UHFFFAOYSA-N 1 0 348.830 3.481 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1Cl ZINC000825489451 1320342468 /nfs/dbraw/zinc/34/24/68/1320342468.db2.gz LCWSVQBHDJXGCU-CQSZACIVSA-N 1 0 339.863 3.372 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000825527063 1320345284 /nfs/dbraw/zinc/34/52/84/1320345284.db2.gz ZDYFQMUUVNENAM-HIFRSBDPSA-N 1 0 326.234 3.202 20 10 EGCDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(Br)cc2O)CC1 ZINC000825697791 1320356053 /nfs/dbraw/zinc/35/60/53/1320356053.db2.gz JTSQIXDUPYETGJ-AWEZNQCLSA-N 1 0 327.266 3.071 20 10 EGCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(Br)cc1O ZINC000826013628 1320378008 /nfs/dbraw/zinc/37/80/08/1320378008.db2.gz XCWFCMNDLVZLHM-UHFFFAOYSA-N 1 0 325.206 3.303 20 10 EGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000827304692 1320441885 /nfs/dbraw/zinc/44/18/85/1320441885.db2.gz CEHVPFXELMLXCT-UHFFFAOYSA-N 1 0 338.451 3.090 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839192306 1320891339 /nfs/dbraw/zinc/89/13/39/1320891339.db2.gz KDWBJWMQTAYAIW-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO COc1cccc(NC(=O)CC[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000839538406 1320933944 /nfs/dbraw/zinc/93/39/44/1320933944.db2.gz CLUOKOPQVUDPAV-ZDUSSCGKSA-N 1 0 344.411 3.089 20 10 EGCDRO Cn1ncc2c1CCC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000840175080 1321043591 /nfs/dbraw/zinc/04/35/91/1321043591.db2.gz GCPZUPUJYSBXAV-UHFFFAOYSA-N 1 0 329.444 3.077 20 10 EGCDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840765509 1321144419 /nfs/dbraw/zinc/14/44/19/1321144419.db2.gz WCTKUVFXDPMOSG-BHYGNILZSA-N 1 0 336.451 3.269 20 10 EGCDRO CC[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(C)cc1O ZINC000840796535 1321150082 /nfs/dbraw/zinc/15/00/82/1321150082.db2.gz GCGLXHKFWMZQRL-FUHWJXTLSA-N 1 0 349.471 3.157 20 10 EGCDRO CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(Cl)ccc1O ZINC000840889030 1321171187 /nfs/dbraw/zinc/17/11/87/1321171187.db2.gz DWIUXGJOJIMWEF-CQSZACIVSA-N 1 0 345.892 3.301 20 10 EGCDRO CC(=O)NC1CCC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840894814 1321172070 /nfs/dbraw/zinc/17/20/70/1321172070.db2.gz UDFOCPCLWUNOOV-MNNVXMFVSA-N 1 0 331.504 3.029 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000840911161 1321175176 /nfs/dbraw/zinc/17/51/76/1321175176.db2.gz RVPXJDZQIXGJKK-UHFFFAOYSA-N 1 0 343.515 3.286 20 10 EGCDRO COc1ccccc1C[N@H+](CCO)Cc1ccc(N(C)C)cc1C ZINC000840910765 1321175402 /nfs/dbraw/zinc/17/54/02/1321175402.db2.gz LSKHIBNMAIFRDU-UHFFFAOYSA-N 1 0 328.456 3.064 20 10 EGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000840909570 1321175688 /nfs/dbraw/zinc/17/56/88/1321175688.db2.gz JEDHFRTXIAMPAO-UHFFFAOYSA-N 1 0 325.456 3.053 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000840936855 1321181014 /nfs/dbraw/zinc/18/10/14/1321181014.db2.gz NEPSQAMGMQABDU-XXBNENTESA-N 1 0 330.497 3.270 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000840940170 1321181675 /nfs/dbraw/zinc/18/16/75/1321181675.db2.gz VPTSKQGJUCCVQW-UHFFFAOYSA-N 1 0 342.462 3.307 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000840941615 1321182747 /nfs/dbraw/zinc/18/27/47/1321182747.db2.gz DKJMZRLEXJNZAF-SFHVURJKSA-N 1 0 330.501 3.085 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)nc(N2CCCC2)n1 ZINC000840950269 1321184768 /nfs/dbraw/zinc/18/47/68/1321184768.db2.gz LWZOPKCAKGJFNG-UHFFFAOYSA-N 1 0 339.487 3.049 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cc1C ZINC000840962316 1321188227 /nfs/dbraw/zinc/18/82/27/1321188227.db2.gz OZBNHKJUBXCNCF-QGZVFWFLSA-N 1 0 328.412 3.214 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H](O)C(C)C ZINC000840968314 1321189669 /nfs/dbraw/zinc/18/96/69/1321189669.db2.gz WWUQTTOEWVTWLK-JSGCOSHPSA-N 1 0 346.265 3.048 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000840976668 1321192119 /nfs/dbraw/zinc/19/21/19/1321192119.db2.gz PSKBSRJBCQROIA-CQSZACIVSA-N 1 0 342.439 3.216 20 10 EGCDRO CC(C)Oc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841043624 1321208425 /nfs/dbraw/zinc/20/84/25/1321208425.db2.gz PRJKDERRIYHMTC-HXUWFJFHSA-N 1 0 327.472 3.329 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)c1 ZINC000841082392 1321215168 /nfs/dbraw/zinc/21/51/68/1321215168.db2.gz FFYNGXCKHORWLE-INIZCTEOSA-N 1 0 328.412 3.375 20 10 EGCDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841298185 1321248994 /nfs/dbraw/zinc/24/89/94/1321248994.db2.gz NECITQPOXRDUNX-CQSZACIVSA-N 1 0 339.443 3.011 20 10 EGCDRO C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC000841304289 1321251256 /nfs/dbraw/zinc/25/12/56/1321251256.db2.gz FFUWAMYOSGXQRJ-AWEZNQCLSA-N 1 0 338.455 3.281 20 10 EGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841745069 1321305683 /nfs/dbraw/zinc/30/56/83/1321305683.db2.gz NBYQYCXGCWXLEP-ZFWWWQNUSA-N 1 0 335.831 3.445 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841745199 1321305775 /nfs/dbraw/zinc/30/57/75/1321305775.db2.gz NNNVMQFCNHMIGM-ZDUSSCGKSA-N 1 0 332.831 3.435 20 10 EGCDRO C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841757268 1321307468 /nfs/dbraw/zinc/30/74/68/1321307468.db2.gz CTJIEDPXNTWKJS-ZIAGYGMSSA-N 1 0 338.879 3.197 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Cl)cc1O ZINC000841760558 1321308044 /nfs/dbraw/zinc/30/80/44/1321308044.db2.gz SNCZXHYVJNSDMU-IUODEOHRSA-N 1 0 336.863 3.487 20 10 EGCDRO CCn1cncc1C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000841845740 1321322754 /nfs/dbraw/zinc/32/27/54/1321322754.db2.gz ITISKMOENJPVOJ-UHFFFAOYSA-N 1 0 338.249 3.393 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3COC(C)(C)C3)cc2F)C[C@@H](C)O1 ZINC000841854479 1321323436 /nfs/dbraw/zinc/32/34/36/1321323436.db2.gz ALWKUNNDFXCSJU-IIAWOOMASA-N 1 0 336.451 3.096 20 10 EGCDRO CC(=O)c1cc(F)cc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000859213960 1328948450 /nfs/dbraw/zinc/94/84/50/1328948450.db2.gz CIFIYWFDUOSUEO-UHFFFAOYSA-N 1 0 344.430 3.428 20 10 EGCDRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000841881077 1321325788 /nfs/dbraw/zinc/32/57/88/1321325788.db2.gz NUROPAMPBWGYPS-KDOFPFPSSA-N 1 0 332.492 3.020 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000841949522 1321331744 /nfs/dbraw/zinc/33/17/44/1321331744.db2.gz PCFBYWZGSQPYAV-MJGOQNOKSA-N 1 0 346.519 3.190 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1O ZINC000842473459 1321393087 /nfs/dbraw/zinc/39/30/87/1321393087.db2.gz KVCFBFZVRLXRLZ-SJORKVTESA-N 1 0 336.863 3.355 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(N2CCNC2=O)cc1 ZINC000842899340 1321447953 /nfs/dbraw/zinc/44/79/53/1321447953.db2.gz DTMANKFVPYDTAS-ZIAGYGMSSA-N 1 0 325.412 3.334 20 10 EGCDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843044562 1321460661 /nfs/dbraw/zinc/46/06/61/1321460661.db2.gz JGPOVXPTOOMFHY-KRWDZBQOSA-N 1 0 346.475 3.017 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000843046299 1321461269 /nfs/dbraw/zinc/46/12/69/1321461269.db2.gz QZTRXAGVSWBJQY-RISCZKNCSA-N 1 0 327.266 3.165 20 10 EGCDRO COc1ccc(O)c(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1 ZINC000843052111 1321461838 /nfs/dbraw/zinc/46/18/38/1321461838.db2.gz GINRYDBQFZYFJW-SFHVURJKSA-N 1 0 326.440 3.155 20 10 EGCDRO COc1cccc(O)c1CN1CCN(c2c(F)cccc2F)CC1 ZINC000843413368 1321513125 /nfs/dbraw/zinc/51/31/25/1321513125.db2.gz GMUIPRVXMUIUEJ-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO CCC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C)C1 ZINC000843423008 1321516271 /nfs/dbraw/zinc/51/62/71/1321516271.db2.gz UOCWUCQRYQVXFO-AWEZNQCLSA-N 1 0 327.266 3.071 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000843432223 1321518172 /nfs/dbraw/zinc/51/81/72/1321518172.db2.gz SFWUILSHOSGTCS-GFCCVEGCSA-N 1 0 325.836 3.445 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccccc2)c1 ZINC000845971893 1321760236 /nfs/dbraw/zinc/76/02/36/1321760236.db2.gz NPAKQBHCNGJVHF-KGLIPLIRSA-N 1 0 328.412 3.469 20 10 EGCDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)[nH]c1C ZINC000845970619 1321760256 /nfs/dbraw/zinc/76/02/56/1321760256.db2.gz ALFFAKPCSZQCRJ-NSHDSACASA-N 1 0 332.400 3.065 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000846097216 1321767087 /nfs/dbraw/zinc/76/70/87/1321767087.db2.gz NUQUEZQTYFBWQB-FZMZJTMJSA-N 1 0 344.377 3.320 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000846138560 1321770236 /nfs/dbraw/zinc/77/02/36/1321770236.db2.gz LCNNKZUOXXOMGK-AWEZNQCLSA-N 1 0 327.428 3.247 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c1O ZINC000846137810 1321770423 /nfs/dbraw/zinc/77/04/23/1321770423.db2.gz HIIDHPMYKJFDIU-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000846143715 1321771425 /nfs/dbraw/zinc/77/14/25/1321771425.db2.gz GDCZBJBUAAWMMU-OLZOCXBDSA-N 1 0 340.423 3.332 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c1O ZINC000846143035 1321771570 /nfs/dbraw/zinc/77/15/70/1321771570.db2.gz CNISIDBDSXIATQ-ZDUSSCGKSA-N 1 0 328.412 3.253 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000846150509 1321772141 /nfs/dbraw/zinc/77/21/41/1321772141.db2.gz QSNOSRFPFOABDA-GFCCVEGCSA-N 1 0 338.448 3.355 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)c1O ZINC000846155758 1321772449 /nfs/dbraw/zinc/77/24/49/1321772449.db2.gz XZUQIAJXQSXKSP-UONOGXRCSA-N 1 0 329.396 3.282 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1O ZINC000846171991 1321773774 /nfs/dbraw/zinc/77/37/74/1321773774.db2.gz JZGMDUKKNHHDAS-ZFWWWQNUSA-N 1 0 344.411 3.172 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)c1ccc(N(C)C)cc1 ZINC000846860224 1321818157 /nfs/dbraw/zinc/81/81/57/1321818157.db2.gz IFOHRHQUWGMKHT-LAUBAEHRSA-N 1 0 339.483 3.309 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000848563847 1321977072 /nfs/dbraw/zinc/97/70/72/1321977072.db2.gz XOZJDEHQEJEQDQ-OAHLLOKOSA-N 1 0 348.487 3.231 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000848883916 1322027702 /nfs/dbraw/zinc/02/77/02/1322027702.db2.gz URXLQUFJIDUNHG-GPMSIDNRSA-N 1 0 332.488 3.028 20 10 EGCDRO CCc1cccc(C[NH+]2CCN(Cc3csc(C)n3)CC2)c1O ZINC000848882269 1322028742 /nfs/dbraw/zinc/02/87/42/1322028742.db2.gz ZZJASYSDXVINIL-UHFFFAOYSA-N 1 0 331.485 3.037 20 10 EGCDRO CCc1cccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000848886519 1322029614 /nfs/dbraw/zinc/02/96/14/1322029614.db2.gz WQAYWTXEXZSWAQ-CQSZACIVSA-N 1 0 334.460 3.301 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000848889186 1322030477 /nfs/dbraw/zinc/03/04/77/1322030477.db2.gz GJROJHGSTOJVFZ-INIZCTEOSA-N 1 0 326.444 3.330 20 10 EGCDRO COC(=O)/C=C/c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000848910855 1322043749 /nfs/dbraw/zinc/04/37/49/1322043749.db2.gz AHIMXAKZSZLLPC-CRALRDPISA-N 1 0 331.368 3.031 20 10 EGCDRO Oc1c(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)ccc2ccccc21 ZINC000848930850 1322049182 /nfs/dbraw/zinc/04/91/82/1322049182.db2.gz XRKLENOXQNPTHJ-LJQANCHMSA-N 1 0 340.467 3.232 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)c(C)n1-c1cccc(Cl)c1 ZINC000920454577 1322180008 /nfs/dbraw/zinc/18/00/08/1322180008.db2.gz NXHLWLMPXQAOII-CYBMUJFWSA-N 1 0 333.863 3.427 20 10 EGCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850034014 1322186595 /nfs/dbraw/zinc/18/65/95/1322186595.db2.gz GCHPWXABYILUQH-UHFFFAOYSA-N 1 0 342.512 3.141 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850170618 1322201829 /nfs/dbraw/zinc/20/18/29/1322201829.db2.gz NKVPLWCLBSTXOK-CQSZACIVSA-N 1 0 348.487 3.187 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)ccc1OC ZINC000850355148 1322232408 /nfs/dbraw/zinc/23/24/08/1322232408.db2.gz GYXJLCREBYSMGL-SEPYTNNBSA-N 1 0 339.501 3.011 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000850416504 1322243110 /nfs/dbraw/zinc/24/31/10/1322243110.db2.gz KPDKZENCTIYLEG-UHFFFAOYSA-N 1 0 344.430 3.269 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1F ZINC000850419345 1322243822 /nfs/dbraw/zinc/24/38/22/1322243822.db2.gz WLQCHBNHACEEGT-MRXNPFEDSA-N 1 0 342.336 3.132 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850494600 1322257632 /nfs/dbraw/zinc/25/76/32/1322257632.db2.gz QVPUQTLRULEKHO-DOTOQJQBSA-N 1 0 349.494 3.186 20 10 EGCDRO COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3cc(C)ccc3O)CC2=O)cc1 ZINC000850513878 1322259483 /nfs/dbraw/zinc/25/94/83/1322259483.db2.gz HRSBGUMGZGPONH-CABCVRRESA-N 1 0 340.423 3.165 20 10 EGCDRO COC(=O)N(C)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000850548363 1322264080 /nfs/dbraw/zinc/26/40/80/1322264080.db2.gz PFJCZTICPOXKMA-GOSISDBHSA-N 1 0 342.439 3.354 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000850581067 1322272550 /nfs/dbraw/zinc/27/25/50/1322272550.db2.gz UAECXRMMIMPGJG-XXFAHNHDSA-N 1 0 341.329 3.202 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1cc(F)c(F)c(F)c1 ZINC000922269157 1322490332 /nfs/dbraw/zinc/49/03/32/1322490332.db2.gz PZVMZMLMFSYWFO-INIZCTEOSA-N 1 0 337.341 3.252 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001024167672 1323184136 /nfs/dbraw/zinc/18/41/36/1323184136.db2.gz VHGIFAURTSHMML-IPMKNSEASA-N 1 0 344.499 3.378 20 10 EGCDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925011121 1323245406 /nfs/dbraw/zinc/24/54/06/1323245406.db2.gz KQRRWBKOANBEDC-SJLPKXTDSA-N 1 0 329.488 3.070 20 10 EGCDRO FCCOCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000853091228 1323277543 /nfs/dbraw/zinc/27/75/43/1323277543.db2.gz BCXBQMYNCNEUCR-UHFFFAOYSA-N 1 0 328.431 3.325 20 10 EGCDRO C/C=C(/C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001024920762 1323784350 /nfs/dbraw/zinc/78/43/50/1323784350.db2.gz XJZSVTFLKAMPPU-ZPZLLIBOSA-N 1 0 330.472 3.441 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853241025 1325070817 /nfs/dbraw/zinc/07/08/17/1325070817.db2.gz RUAPBALNDVGKPP-ZFWWWQNUSA-N 1 0 333.432 3.073 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854314215 1325242907 /nfs/dbraw/zinc/24/29/07/1325242907.db2.gz GPJCBOPTXIBLSF-INIZCTEOSA-N 1 0 333.476 3.187 20 10 EGCDRO OCCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926725075 1327684864 /nfs/dbraw/zinc/68/48/64/1327684864.db2.gz ODVNETADJGYFAH-NQIIRXRSSA-N 1 0 346.515 3.069 20 10 EGCDRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000927082461 1327850534 /nfs/dbraw/zinc/85/05/34/1327850534.db2.gz AWJWHFZDYSGSJK-DOTOQJQBSA-N 1 0 336.451 3.272 20 10 EGCDRO Oc1ccc2c(c1)CN(Cc1c(O)cccc1Br)CC2 ZINC000862228166 1329468263 /nfs/dbraw/zinc/46/82/63/1329468263.db2.gz MFAOHASKPBEWGB-UHFFFAOYSA-N 1 0 334.213 3.419 20 10 EGCDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)c(N(C)C)cc2F)C[C@H]1C ZINC000862249189 1329471060 /nfs/dbraw/zinc/47/10/60/1329471060.db2.gz YJYMRNNIXGNUGC-HIFRSBDPSA-N 1 0 325.447 3.335 20 10 EGCDRO CN(Cc1c(O)cccc1Br)[C@@H](CO)c1ccccc1 ZINC000862384311 1329480552 /nfs/dbraw/zinc/48/05/52/1329480552.db2.gz UZIHWRHPODMIPT-HNNXBMFYSA-N 1 0 336.229 3.320 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000862755060 1329506716 /nfs/dbraw/zinc/50/67/16/1329506716.db2.gz BPNNWROFUWVREF-IBGZPJMESA-N 1 0 338.451 3.196 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1 ZINC000865731742 1329733661 /nfs/dbraw/zinc/73/36/61/1329733661.db2.gz YDMWTBPKWYZADY-LLVKDONJSA-N 1 0 328.368 3.489 20 10 EGCDRO Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccccc2O)[NH+](C)C)cc1 ZINC000868212679 1330262485 /nfs/dbraw/zinc/26/24/85/1330262485.db2.gz ADQXAFXEIKXNGJ-CRAIPNDOSA-N 1 0 341.455 3.364 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3oc(C)cc3C)C2)cc1C ZINC000968352000 1335898935 /nfs/dbraw/zinc/89/89/35/1335898935.db2.gz RJKDODRGEGUNNK-QGZVFWFLSA-N 1 0 342.439 3.218 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)cc1C ZINC001018451153 1339624888 /nfs/dbraw/zinc/62/48/88/1339624888.db2.gz TZOPUZHDEYCAAX-SFHVURJKSA-N 1 0 342.414 3.147 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)cc1C ZINC001018493427 1339641628 /nfs/dbraw/zinc/64/16/28/1339641628.db2.gz TZHZAJFLOREMCV-ROUUACIJSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)cc1C ZINC001034577621 1342623872 /nfs/dbraw/zinc/62/38/72/1342623872.db2.gz QHKKTOLWYNHEGX-IYARVYRRSA-N 1 0 330.472 3.321 20 10 EGCDRO CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039059750 1344741888 /nfs/dbraw/zinc/74/18/88/1344741888.db2.gz HWGFBRBAVNTMFB-HNNXBMFYSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC=CC3)[C@@H](C)C2)cc1C ZINC001044522812 1346355634 /nfs/dbraw/zinc/35/56/34/1346355634.db2.gz JPVCHNBVNUEPRF-QFBILLFUSA-N 1 0 342.483 3.439 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CC=CCC2)cc1C ZINC001044924006 1346464014 /nfs/dbraw/zinc/46/40/14/1346464014.db2.gz QSPZAVNOCDAGLJ-OALUTQOASA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(F)=C(C)C)C[C@@H]2C)cc1C ZINC001048205229 1347494015 /nfs/dbraw/zinc/49/40/15/1347494015.db2.gz VUOYRUADUKCPNP-RDJZCZTQSA-N 1 0 348.462 3.451 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCC3CC3)C[C@H]2C)cc1C ZINC001054483407 1349371739 /nfs/dbraw/zinc/37/17/39/1349371739.db2.gz DCBMJPGCIONYFR-CRAIPNDOSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C)co3)C[C@H]2C)cc1C ZINC001054986660 1349538842 /nfs/dbraw/zinc/53/88/42/1349538842.db2.gz OBOCZMAKFOQUAD-NVXWUHKLSA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)CC3CC3)C23CCC3)cc1C ZINC001078531292 1356998938 /nfs/dbraw/zinc/99/89/38/1356998938.db2.gz JYNIJHYKUOSSNJ-RTBURBONSA-N 1 0 342.483 3.321 20 10 EGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323309004 1387331801 /nfs/dbraw/zinc/33/18/01/1387331801.db2.gz BAKYQFUJRVEKSV-UHFFFAOYSA-N 1 0 345.487 3.340 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3CC(C)C3)C2)cc1C ZINC001086058263 1358982561 /nfs/dbraw/zinc/98/25/61/1358982561.db2.gz CPTFXGAIAWLQIX-BBEWUJJASA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC34CC4)C2)cc1C ZINC001086813364 1359206678 /nfs/dbraw/zinc/20/66/78/1359206678.db2.gz CIOUAHGAYFDINA-RCCFBDPRSA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](C)C3CC3)C2)cc1C ZINC001100225937 1364049793 /nfs/dbraw/zinc/04/97/93/1364049793.db2.gz XMHLBVORYDFEIL-NXVRBGIVSA-N 1 0 330.472 3.034 20 10 EGCDRO O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203556681 1370168830 /nfs/dbraw/zinc/16/88/30/1370168830.db2.gz TTXABMYMIJYVPS-UHFFFAOYSA-N 1 0 340.398 3.160 20 10 EGCDRO COc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c1O ZINC001203592586 1370181432 /nfs/dbraw/zinc/18/14/32/1370181432.db2.gz HKIWQXGXKGPFTD-BPQIPLTHSA-N 1 0 331.456 3.428 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c1O ZINC001203596828 1370182490 /nfs/dbraw/zinc/18/24/90/1370182490.db2.gz NYRFHVNTBRJJEO-CQSZACIVSA-N 1 0 331.416 3.287 20 10 EGCDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cccc(OC)c1O ZINC001203600226 1370184169 /nfs/dbraw/zinc/18/41/69/1370184169.db2.gz YFASRDUGMFTKIO-IBGZPJMESA-N 1 0 340.467 3.497 20 10 EGCDRO COc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)c(O)c1 ZINC001203617024 1370189349 /nfs/dbraw/zinc/18/93/49/1370189349.db2.gz GHMYJMOCODUXDZ-UHFFFAOYSA-N 1 0 327.424 3.193 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCC[C@]1(C)O ZINC001203636566 1370195762 /nfs/dbraw/zinc/19/57/62/1370195762.db2.gz XIQZSRNEZFTOAW-NHYWBVRUSA-N 1 0 328.250 3.138 20 10 EGCDRO OCC[N@H+](Cc1cccs1)Cc1cc(Br)ccc1O ZINC001203643565 1370199781 /nfs/dbraw/zinc/19/97/81/1370199781.db2.gz YDMOGNUOLZYJNM-UHFFFAOYSA-N 1 0 342.258 3.211 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001203657511 1370203625 /nfs/dbraw/zinc/20/36/25/1370203625.db2.gz LQSHLEHPJPTULE-FUHWJXTLSA-N 1 0 337.847 3.206 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC001203680773 1370215920 /nfs/dbraw/zinc/21/59/20/1370215920.db2.gz DNRGDHLRSHHDJG-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203878490 1370297255 /nfs/dbraw/zinc/29/72/55/1370297255.db2.gz HJIMLESCNOGMBS-KRWDZBQOSA-N 1 0 329.396 3.150 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203878012 1370297646 /nfs/dbraw/zinc/29/76/46/1370297646.db2.gz NWEJILFGLZXXCU-UHFFFAOYSA-N 1 0 329.396 3.053 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)cc1 ZINC001203931978 1370319917 /nfs/dbraw/zinc/31/99/17/1370319917.db2.gz ZXAYZEDVGQLDSG-FUHWJXTLSA-N 1 0 345.487 3.194 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1c1ccccc1 ZINC001203935241 1370321418 /nfs/dbraw/zinc/32/14/18/1370321418.db2.gz ALQOCFCJOBRUEA-PMACEKPBSA-N 1 0 338.451 3.489 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)cc1 ZINC001203937612 1370321918 /nfs/dbraw/zinc/32/19/18/1370321918.db2.gz ZZUAIWQRNZSBCO-HXUWFJFHSA-N 1 0 349.478 3.373 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC001204018410 1370349719 /nfs/dbraw/zinc/34/97/19/1370349719.db2.gz OBKWADVUVZWEID-UHFFFAOYSA-N 1 0 332.469 3.096 20 10 EGCDRO CC(=O)NC1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204232383 1370417283 /nfs/dbraw/zinc/41/72/83/1370417283.db2.gz BSEBEPNCAFKKHH-UHFFFAOYSA-N 1 0 325.456 3.006 20 10 EGCDRO 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CN(C)c1ccc(C[N@H+](C)CCC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001207770162 1371498483 /nfs/dbraw/zinc/49/84/83/1371498483.db2.gz PFEPKQGZBFEKKI-UHFFFAOYSA-N 1 0 347.503 3.441 20 10 EGCDRO FC(F)(F)Oc1ccc(N2CC[NH+](C[C@H]3CCCCO3)CC2)cc1 ZINC001207963599 1371552084 /nfs/dbraw/zinc/55/20/84/1371552084.db2.gz HQTIOEWBVDPUNT-MRXNPFEDSA-N 1 0 344.377 3.276 20 10 EGCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](C[C@H]4C[C@H]4C)C3)C2)cc1 ZINC001209412580 1372098937 /nfs/dbraw/zinc/09/89/37/1372098937.db2.gz HJYZDGLFBCSJPW-OPYAIIAOSA-N 1 0 344.499 3.270 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC=CCCC2)cc1C ZINC001130159799 1373465181 /nfs/dbraw/zinc/46/51/81/1373465181.db2.gz IHMAMGJVFXLDLO-SFHVURJKSA-N 1 0 330.472 3.346 20 10 EGCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cccc21 ZINC001218185288 1373574483 /nfs/dbraw/zinc/57/44/83/1373574483.db2.gz YQWFEWNWBAMWIA-BTTYYORXSA-N 1 0 333.387 3.124 20 10 EGCDRO COc1ccc(OC)c([C@@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001218344274 1373600701 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EGCDRO Cc1cccc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c1O ZINC001231593084 1376274182 /nfs/dbraw/zinc/27/41/82/1376274182.db2.gz YXWJTLMITHJSMQ-KRWDZBQOSA-N 1 0 343.471 3.206 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C)C2)c(O)cc1O ZINC001231636667 1376288338 /nfs/dbraw/zinc/28/83/38/1376288338.db2.gz ZZMMZJHTTHGVBR-MRXNPFEDSA-N 1 0 343.423 3.458 20 10 EGCDRO COc1ccc(CN2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)cc1 ZINC001231845948 1376325230 /nfs/dbraw/zinc/32/52/30/1376325230.db2.gz WHJWWFXZEWCFRH-UHFFFAOYSA-N 1 0 340.467 3.335 20 10 EGCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231866576 1376329248 /nfs/dbraw/zinc/32/92/48/1376329248.db2.gz GJKJESVTEZXPTP-MSOLQXFVSA-N 1 0 339.863 3.372 20 10 EGCDRO CC(=O)N1CCC2(C1)CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001231868677 1376330914 /nfs/dbraw/zinc/33/09/14/1376330914.db2.gz WAMMVALPLCSVPB-UHFFFAOYSA-N 1 0 336.863 3.188 20 10 EGCDRO CCN1CC2(CC1=O)CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001231871550 1376332710 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COc1ccc(C[NH2+]CCNC(=O)c2ccc3cc[nH]c3c2)cc1C ZINC001134381335 1376502829 /nfs/dbraw/zinc/50/28/29/1376502829.db2.gz KURZFUKGAGLFMC-UHFFFAOYSA-N 1 0 337.423 3.005 20 10 EGCDRO Cc1cc(Br)cc(CN2CC[C@@H]([N@@H+](C)C(C)C)C2)c1O ZINC001233111826 1376572261 /nfs/dbraw/zinc/57/22/61/1376572261.db2.gz ZSYPWCPCVHGZQJ-OAHLLOKOSA-N 1 0 341.293 3.378 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c1 ZINC001233287253 1376605033 /nfs/dbraw/zinc/60/50/33/1376605033.db2.gz DNLWKKCTWRIUGY-MRXNPFEDSA-N 1 0 327.428 3.133 20 10 EGCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290478 1376605469 /nfs/dbraw/zinc/60/54/69/1376605469.db2.gz DSGFFDDSNQKYOX-KRWDZBQOSA-N 1 0 341.835 3.219 20 10 EGCDRO Oc1ccc(F)c(F)c1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001233334970 1376618579 /nfs/dbraw/zinc/61/85/79/1376618579.db2.gz BRPASQIPPVZNQZ-YJBOKZPZSA-N 1 0 344.405 3.377 20 10 EGCDRO CCOC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452043 1376648676 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Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001237142308 1376976741 /nfs/dbraw/zinc/97/67/41/1376976741.db2.gz GVCKGZSFMJCKNI-OAHLLOKOSA-N 1 0 338.329 3.459 20 10 EGCDRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238657914 1377000340 /nfs/dbraw/zinc/00/03/40/1377000340.db2.gz LSKMEHFGMQSRNZ-HVCBDAARSA-N 1 0 332.429 3.118 20 10 EGCDRO CC[C@H]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001136084576 1377337804 /nfs/dbraw/zinc/33/78/04/1377337804.db2.gz OBWZFSUMEPECMW-ZWKOTPCHSA-N 1 0 332.488 3.426 20 10 EGCDRO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137834937 1377626032 /nfs/dbraw/zinc/62/60/32/1377626032.db2.gz ZJWDTJMTYJYLCB-SFHVURJKSA-N 1 0 346.427 3.222 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(C)n1-c1ccccc1 ZINC001137856005 1377631967 /nfs/dbraw/zinc/63/19/67/1377631967.db2.gz MZMSTEDFFPAMRT-HXUWFJFHSA-N 1 0 326.440 3.085 20 10 EGCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137859141 1377632483 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Cc1cnc(N2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)s1 ZINC001138356119 1377708285 /nfs/dbraw/zinc/70/82/85/1377708285.db2.gz AOEYYMGGDUCUHK-UHFFFAOYSA-N 1 0 342.512 3.156 20 10 EGCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](C(F)(F)F)[C@H]3CO)ccc21 ZINC001138354488 1377708309 /nfs/dbraw/zinc/70/83/09/1377708309.db2.gz LLUBDYLHDZHVLX-NVXWUHKLSA-N 1 0 342.405 3.204 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(OC)c1 ZINC001138386679 1377714064 /nfs/dbraw/zinc/71/40/64/1377714064.db2.gz SPGYIQJNYPNTLK-IBGZPJMESA-N 1 0 338.467 3.228 20 10 EGCDRO COc1cccc(CC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001138498889 1377733525 /nfs/dbraw/zinc/73/35/25/1377733525.db2.gz KZYDRYMHYNLUKG-UHFFFAOYSA-N 1 0 340.467 3.206 20 10 EGCDRO CC[N@H+](Cc1ccccc1O)Cc1cc(Br)cnc1N ZINC001139452651 1377885179 /nfs/dbraw/zinc/88/51/79/1377885179.db2.gz ZOZJWHCJAXHVCP-UHFFFAOYSA-N 1 0 336.233 3.154 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)ccc1N(C)C ZINC001139672528 1377930893 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Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001140183590 1378028200 /nfs/dbraw/zinc/02/82/00/1378028200.db2.gz DYDNRURZOFQFJA-ZBFHGGJFSA-N 1 0 334.460 3.354 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c1O ZINC001140185132 1378028489 /nfs/dbraw/zinc/02/84/89/1378028489.db2.gz PHRILSFZNFSKRZ-MRXNPFEDSA-N 1 0 327.428 3.151 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)C(F)(F)CC3)cc2)CC1 ZINC001140281569 1378039692 /nfs/dbraw/zinc/03/96/92/1378039692.db2.gz JJNNWMLGEYTVAX-QGZVFWFLSA-N 1 0 342.405 3.217 20 10 EGCDRO OC1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](CCC4(F)F)C3)cc2)CC1 ZINC001140283413 1378041188 /nfs/dbraw/zinc/04/11/88/1378041188.db2.gz TVPPHDMLCYVVRV-QAPCUYQASA-N 1 0 336.426 3.125 20 10 EGCDRO Oc1cccc(Cl)c1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001140340225 1378049214 /nfs/dbraw/zinc/04/92/14/1378049214.db2.gz TWZFWPQEUDZDDA-BETUJISGSA-N 1 0 349.887 3.066 20 10 EGCDRO Oc1cccc(Cl)c1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001140342291 1378050022 /nfs/dbraw/zinc/05/00/22/1378050022.db2.gz BXWJEMSNBDNSDL-JKSUJKDBSA-N 1 0 326.843 3.444 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1c1ccccc1 ZINC001140342694 1378050385 /nfs/dbraw/zinc/05/03/85/1378050385.db2.gz UZXAIGSOVJJMHL-LSDHHAIUSA-N 1 0 345.826 3.434 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]21 ZINC001140464264 1378067481 /nfs/dbraw/zinc/06/74/81/1378067481.db2.gz IUQBXCFGHGCQQK-TZMCWYRMSA-N 1 0 338.835 3.097 20 10 EGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001140465241 1378068106 /nfs/dbraw/zinc/06/81/06/1378068106.db2.gz KYURPWFNWIGNQT-UHFFFAOYSA-N 1 0 349.862 3.210 20 10 EGCDRO O=C1[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]2CN1c1ccsc1 ZINC001140465287 1378068386 /nfs/dbraw/zinc/06/83/86/1378068386.db2.gz MYDKXCVRKUKIGA-WFASDCNBSA-N 1 0 348.855 3.202 20 10 EGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001140468395 1378068911 /nfs/dbraw/zinc/06/89/11/1378068911.db2.gz JBVKFJDPJVLBKE-OAHLLOKOSA-N 1 0 333.819 3.187 20 10 EGCDRO Oc1cc(Cl)ccc1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140467504 1378069108 /nfs/dbraw/zinc/06/91/08/1378069108.db2.gz RTUMPGKSWFBWEK-HZPDHXFCSA-N 1 0 343.858 3.004 20 10 EGCDRO O=C1C[C@@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1ccccc1O ZINC001272618430 1378076426 /nfs/dbraw/zinc/07/64/26/1378076426.db2.gz HQTFYCQEPBEXJE-HXUWFJFHSA-N 1 0 328.456 3.292 20 10 EGCDRO CCCCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272618320 1378076453 /nfs/dbraw/zinc/07/64/53/1378076453.db2.gz FOVUIJMMZJJUFG-FQEVSTJZSA-N 1 0 330.472 3.397 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001140662048 1378108657 /nfs/dbraw/zinc/10/86/57/1378108657.db2.gz CANOUTIEWDHOLC-MRXNPFEDSA-N 1 0 346.368 3.232 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)CC1CC(F)(F)C1 ZINC001140663758 1378108698 /nfs/dbraw/zinc/10/86/98/1378108698.db2.gz OMJXFTLMVRLSRQ-UHFFFAOYSA-N 1 0 328.378 3.139 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001140662018 1378108810 /nfs/dbraw/zinc/10/88/10/1378108810.db2.gz BEWAEMGAYBFLKA-HXUWFJFHSA-N 1 0 341.430 3.394 20 10 EGCDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140663870 1378108916 /nfs/dbraw/zinc/10/89/16/1378108916.db2.gz QZFQMIOHGJWMPA-GOSISDBHSA-N 1 0 336.451 3.052 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3)CC2)c1O ZINC001140751409 1378129307 /nfs/dbraw/zinc/12/93/07/1378129307.db2.gz VMVAUVFRNVTWHW-OAHLLOKOSA-N 1 0 344.430 3.424 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)CC2)c(O)c1 ZINC001140857101 1378159449 /nfs/dbraw/zinc/15/94/49/1378159449.db2.gz SXPUIBZWXVNHMX-HNNXBMFYSA-N 1 0 334.460 3.014 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC001140921298 1378180804 /nfs/dbraw/zinc/18/08/04/1378180804.db2.gz AJLNZWOXRIHDHG-AWEZNQCLSA-N 1 0 336.785 3.153 20 10 EGCDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140924570 1378182380 /nfs/dbraw/zinc/18/23/80/1378182380.db2.gz RYJITXBWNFOHCS-MRXNPFEDSA-N 1 0 349.906 3.096 20 10 EGCDRO Cc1nc(C2CC[NH+](Cc3ccc(N(C)C)cc3Cl)CC2)no1 ZINC001140923434 1378182403 /nfs/dbraw/zinc/18/24/03/1378182403.db2.gz AGZGESTVQSOLFB-UHFFFAOYSA-N 1 0 334.851 3.477 20 10 EGCDRO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001140948076 1378188905 /nfs/dbraw/zinc/18/89/05/1378188905.db2.gz RVPQOTBHFMOPHK-UHFFFAOYSA-N 1 0 332.444 3.143 20 10 EGCDRO Cc1nc(CN2CCC3(C[NH+](Cc4ccc(C)cc4O)C3)C2)cs1 ZINC001140949663 1378189832 /nfs/dbraw/zinc/18/98/32/1378189832.db2.gz GHNZRGPVNBXAIN-UHFFFAOYSA-N 1 0 343.496 3.173 20 10 EGCDRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c(O)c1 ZINC001140950221 1378190617 /nfs/dbraw/zinc/19/06/17/1378190617.db2.gz WAVBSMYKWXPJBM-LJQANCHMSA-N 1 0 336.435 3.154 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2ccc(C)cc2O)Cc2cnn(CC)c21 ZINC001140952072 1378190651 /nfs/dbraw/zinc/19/06/51/1378190651.db2.gz DAUDLZAGPCVGDA-QGZVFWFLSA-N 1 0 329.444 3.053 20 10 EGCDRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)c(O)c1 ZINC001140952465 1378191788 /nfs/dbraw/zinc/19/17/88/1378191788.db2.gz STJCVWLVCCBODS-KRWDZBQOSA-N 1 0 339.439 3.029 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c(O)c1 ZINC001140954216 1378191813 /nfs/dbraw/zinc/19/18/13/1378191813.db2.gz NIRYXERAEYSTPU-GOSISDBHSA-N 1 0 342.414 3.234 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)CC3)CC2)c(OC)c1 ZINC001141030624 1378212762 /nfs/dbraw/zinc/21/27/62/1378212762.db2.gz DSDHTJFDUMAEQZ-UHFFFAOYSA-N 1 0 333.428 3.135 20 10 EGCDRO c1c(CN2CC[C@H]([NH+]3CCCCC3)C2)cc2c3c1CCCN3CCC2 ZINC001141076607 1378232694 /nfs/dbraw/zinc/23/26/94/1378232694.db2.gz WYGDBOGOSRUDEY-NRFANRHFSA-N 1 0 339.527 3.446 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](C(=O)c4ccccc4)C3)ccc21 ZINC001141145358 1378248333 /nfs/dbraw/zinc/24/83/33/1378248333.db2.gz AIBMCQZUCMIGLE-GOSISDBHSA-N 1 0 336.435 3.220 20 10 EGCDRO COc1cc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)ccc1Cl ZINC001141162609 1378254492 /nfs/dbraw/zinc/25/44/92/1378254492.db2.gz XCTMTNIFOCHTNJ-UHFFFAOYSA-N 1 0 348.830 3.082 20 10 EGCDRO Oc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)c1 ZINC001141159537 1378255215 /nfs/dbraw/zinc/25/52/15/1378255215.db2.gz FSFLWOKPFSIQNI-UZLBHIALSA-N 1 0 340.423 3.174 20 10 EGCDRO CCOC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141162856 1378255562 /nfs/dbraw/zinc/25/55/62/1378255562.db2.gz HZOIMLTWFMGCRE-UHFFFAOYSA-N 1 0 343.423 3.443 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])CC[C@]1(C)O ZINC001141367773 1378312069 /nfs/dbraw/zinc/31/20/69/1378312069.db2.gz PNKOTILHLBWJRS-XPTSAGLGSA-N 1 0 348.668 3.401 20 10 EGCDRO C[C@H]1CN(Cc2cc(F)c(F)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001142527475 1378452974 /nfs/dbraw/zinc/45/29/74/1378452974.db2.gz WBKYCQLDTLWPNF-AWEZNQCLSA-N 1 0 332.394 3.377 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001144514366 1378739831 /nfs/dbraw/zinc/73/98/31/1378739831.db2.gz ABRJRHMBAUUBJQ-UHFFFAOYSA-N 1 0 331.387 3.397 20 10 EGCDRO CCc1ccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001149669074 1379425092 /nfs/dbraw/zinc/42/50/92/1379425092.db2.gz WFVPUURQCCYDAD-UHFFFAOYSA-N 1 0 326.440 3.086 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)c2ccccc2C)cc1C ZINC001152018375 1379841236 /nfs/dbraw/zinc/84/12/36/1379841236.db2.gz UXINSRSDGBGAJP-KRWDZBQOSA-N 1 0 340.467 3.322 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(C3CC3)c2)cc1C ZINC001152727430 1379976434 /nfs/dbraw/zinc/97/64/34/1379976434.db2.gz SVUAONHQTIRWQG-UHFFFAOYSA-N 1 0 338.451 3.401 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCCC2(C)C)cc1C ZINC001152916832 1379993978 /nfs/dbraw/zinc/99/39/78/1379993978.db2.gz CJBUFBSWFOIKIJ-QGZVFWFLSA-N 1 0 332.488 3.426 20 10 EGCDRO COCCOC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001328091327 1388668859 /nfs/dbraw/zinc/66/88/59/1388668859.db2.gz NQXMDRBXUPKLHT-HZPDHXFCSA-N 1 0 349.471 3.051 20 10 EGCDRO Cc1nc(N(C)Cc2ccc(N(C)C)cc2)cc(N2CCCC2)[nH+]1 ZINC001156924303 1380729494 /nfs/dbraw/zinc/72/94/94/1380729494.db2.gz WLSNXHZVWOERFC-UHFFFAOYSA-N 1 0 325.460 3.088 20 10 EGCDRO Cc1ccc2c(c1Nc1cncc(C[NH3+])c1)C(=O)c1ccccc1C2=O ZINC001159558058 1381830406 /nfs/dbraw/zinc/83/04/06/1381830406.db2.gz RFIHSNSSXOHSMH-UHFFFAOYSA-N 1 0 343.386 3.368 20 10 EGCDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cnc2c(c1)C1(CC1)C(=O)N2 ZINC001169690200 1384174309 /nfs/dbraw/zinc/17/43/09/1384174309.db2.gz SYWFQBXLJNVTSQ-MRXNPFEDSA-N 1 0 334.423 3.305 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])cc1 ZINC001170278529 1384280939 /nfs/dbraw/zinc/28/09/39/1384280939.db2.gz XJDBMJXFYAIJBD-VAMGGRTRSA-N 1 0 343.471 3.231 20 10 EGCDRO CSCC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C)C(=O)N(C)C ZINC001328970978 1388912045 /nfs/dbraw/zinc/91/20/45/1388912045.db2.gz DAXCZTJPZMMAIT-RDBSUJKOSA-N 1 0 336.501 3.048 20 10 EGCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172681911 1384832950 /nfs/dbraw/zinc/83/29/50/1384832950.db2.gz NILQQISHTOVQIB-LJQANCHMSA-N 1 0 338.451 3.405 20 10 EGCDRO CC[C@@H]1CC[C@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173265202 1384946938 /nfs/dbraw/zinc/94/69/38/1384946938.db2.gz QRQRVZQGYSWFAD-MOPGFXCFSA-N 1 0 345.531 3.376 20 10 EGCDRO CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173265205 1384947015 /nfs/dbraw/zinc/94/70/15/1384947015.db2.gz QRQRVZQGYSWFAD-RTBURBONSA-N 1 0 345.531 3.376 20 10 EGCDRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001173624006 1384990677 /nfs/dbraw/zinc/99/06/77/1384990677.db2.gz WVRPTIUNFHMTJI-ZWKOTPCHSA-N 1 0 330.472 3.498 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178701539 1386283220 /nfs/dbraw/zinc/28/32/20/1386283220.db2.gz MPMCYGWQOADTNG-MAUKXSAKSA-N 1 0 330.472 3.233 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1 ZINC001320494560 1386626646 /nfs/dbraw/zinc/62/66/46/1386626646.db2.gz SPMIYOOCBLQHQU-QGZVFWFLSA-N 1 0 329.488 3.023 20 10 EGCDRO CN1CCN(c2ccc(C[N@H+](C)CCc3cccs3)cc2F)CC1 ZINC001320508749 1386632862 /nfs/dbraw/zinc/63/28/62/1386632862.db2.gz HVDCZXUXUPZPJE-UHFFFAOYSA-N 1 0 347.503 3.314 20 10 EGCDRO CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001180130290 1386706076 /nfs/dbraw/zinc/70/60/76/1386706076.db2.gz GOFKKQCONFTGJB-LVMGUKCRSA-N 1 0 341.499 3.289 20 10 EGCDRO Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)ccc2c[nH+]cn21 ZINC001320839316 1386734550 /nfs/dbraw/zinc/73/45/50/1386734550.db2.gz KBVAKKJGEMZLGU-UHFFFAOYSA-N 1 0 334.423 3.173 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1ccc(N(C)C)cc1 ZINC001320881360 1386746832 /nfs/dbraw/zinc/74/68/32/1386746832.db2.gz UNMDMSVBDHUXIA-XLIONFOSSA-N 1 0 334.504 3.219 20 10 EGCDRO C[C@H](C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N)[NH+]1CCCC1 ZINC001180577555 1386840560 /nfs/dbraw/zinc/84/05/60/1386840560.db2.gz VLHMIPMJEUQPIL-NQNYVDLKSA-N 1 0 338.415 3.090 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001336290621 1389060909 /nfs/dbraw/zinc/06/09/09/1389060909.db2.gz QQUYKUGEMYIIQT-FUHWJXTLSA-N 1 0 344.503 3.065 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC001330621233 1389472899 /nfs/dbraw/zinc/47/28/99/1389472899.db2.gz JAIDEJORDKFNGM-NRFANRHFSA-N 1 0 344.499 3.447 20 10 EGCDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001338756250 1389753282 /nfs/dbraw/zinc/75/32/82/1389753282.db2.gz OTXPMRKMRNCAJY-UHFFFAOYSA-N 1 0 345.531 3.266 20 10 EGCDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001331706671 1389857399 /nfs/dbraw/zinc/85/73/99/1389857399.db2.gz IDCVUPOYRUUJKV-IEBWSBKVSA-N 1 0 334.529 3.364 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)cc1 ZINC001341835951 1390535266 /nfs/dbraw/zinc/53/52/66/1390535266.db2.gz DFXYPFLLSMLRIJ-DLBZAZTESA-N 1 0 331.504 3.442 20 10 EGCDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC001348085735 1391171110 /nfs/dbraw/zinc/17/11/10/1391171110.db2.gz KDBFJSOMLYZGHX-UONOGXRCSA-N 1 0 327.266 3.117 20 10 EGCDRO C[NH+]1CCN(c2ccc(NCc3cc(F)cc(F)c3O)cc2)CC1 ZINC001353562409 1392040074 /nfs/dbraw/zinc/04/00/74/1392040074.db2.gz VHZXDHDBDDZNOR-UHFFFAOYSA-N 1 0 333.382 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001753004533 1440265537 /nfs/dbraw/zinc/26/55/37/1440265537.db2.gz FLDCYKYTMDSTAG-MNDMWVCDSA-N 1 0 341.455 3.030 20 10 EGCDRO CCC(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC001753294215 1440351503 /nfs/dbraw/zinc/35/15/03/1440351503.db2.gz HPEGBKKBTSXPOP-SFHVURJKSA-N 1 0 326.440 3.361 20 10 EGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cc(C)co2)cc1C ZINC001754390766 1440594150 /nfs/dbraw/zinc/59/41/50/1440594150.db2.gz DHHGPSCPIHWVOF-UHFFFAOYSA-N 1 0 330.428 3.157 20 10 EGCDRO CCn1cccc1C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001755272117 1440797951 /nfs/dbraw/zinc/79/79/51/1440797951.db2.gz YVMBZBQQXFIFIH-JKSUJKDBSA-N 1 0 343.471 3.122 20 10 EGCDRO Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1O ZINC000776175856 1126109471 /nfs/dbraw/zinc/10/94/71/1126109471.db2.gz VWMXMZXNKXORQG-WBVHZDCISA-N 1 0 339.357 3.325 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000529664014 313380582 /nfs/dbraw/zinc/38/05/82/313380582.db2.gz AXJMZDQOQMWIHY-OAHLLOKOSA-N 1 0 348.805 3.388 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1ccc(F)cc1F ZINC000114509291 454959105 /nfs/dbraw/zinc/95/91/05/454959105.db2.gz GKRXOSRNVLJIKO-INIZCTEOSA-N 1 0 327.758 3.321 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000190027022 455273406 /nfs/dbraw/zinc/27/34/06/455273406.db2.gz VQTKCIQZVBJUAB-UHFFFAOYSA-N 1 0 333.378 3.462 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1O ZINC000183390855 455287492 /nfs/dbraw/zinc/28/74/92/455287492.db2.gz XXPZKAGCEGCUPE-APWZRJJASA-N 1 0 326.440 3.116 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccn3C)cc2F)C[C@@H](C)O1 ZINC000265660617 455358045 /nfs/dbraw/zinc/35/80/45/455358045.db2.gz RLXPXEHDCHBGSP-HUUCEWRRSA-N 1 0 331.435 3.068 20 10 EGCDRO CCCNC(=O)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000042674917 454020217 /nfs/dbraw/zinc/02/02/17/454020217.db2.gz CVRXZMMDANSKMF-UHFFFAOYSA-N 1 0 326.440 3.284 20 10 EGCDRO C[N@H+](Cc1ccc(Br)o1)Cc1cc2c(cc1O)OCO2 ZINC000069688233 454133168 /nfs/dbraw/zinc/13/31/68/454133168.db2.gz IPMYOWSDEUMGCB-UHFFFAOYSA-N 1 0 340.173 3.108 20 10 EGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccco1 ZINC000069714845 454137178 /nfs/dbraw/zinc/13/71/78/454137178.db2.gz VMZPFPXGDKJUNQ-UHFFFAOYSA-N 1 0 340.345 3.425 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C[C@H](O)c3ccco3)CC2)cc1 ZINC000120853663 454357189 /nfs/dbraw/zinc/35/71/89/454357189.db2.gz ZRKFFGRXVQNJHR-KXBFYZLASA-N 1 0 344.455 3.359 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079724064 454469939 /nfs/dbraw/zinc/46/99/39/454469939.db2.gz SVKPJZBICJLMRW-HNNXBMFYSA-N 1 0 341.411 3.282 20 10 EGCDRO CCOc1cccc(C[NH2+]CCCn2cnc3ccccc32)c1O ZINC000074335666 454566368 /nfs/dbraw/zinc/56/63/68/454566368.db2.gz WDQBNHSUQRZEKQ-UHFFFAOYSA-N 1 0 325.412 3.321 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000092485088 454573694 /nfs/dbraw/zinc/57/36/94/454573694.db2.gz QZCGUTPJSQHROR-UHFFFAOYSA-N 1 0 330.453 3.157 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000092565658 454586998 /nfs/dbraw/zinc/58/69/98/454586998.db2.gz ORROHTFESVMMLC-UHFFFAOYSA-N 1 0 335.444 3.391 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(O)c1 ZINC000123732265 454669585 /nfs/dbraw/zinc/66/95/85/454669585.db2.gz ASNBPRGYVXMXKD-ZFWWWQNUSA-N 1 0 333.350 3.069 20 10 EGCDRO COc1cccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1O ZINC000093638295 454725871 /nfs/dbraw/zinc/72/58/71/454725871.db2.gz DNEUKVLNJUBKNT-HXUWFJFHSA-N 1 0 325.408 3.075 20 10 EGCDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000153528316 454803186 /nfs/dbraw/zinc/80/31/86/454803186.db2.gz YGNCTNVASHPXOC-ZDUSSCGKSA-N 1 0 327.380 3.119 20 10 EGCDRO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)Cc1ccccc1O ZINC000109772394 454835755 /nfs/dbraw/zinc/83/57/55/454835755.db2.gz FOPYVQNCNONBSG-AWEZNQCLSA-N 1 0 330.403 3.010 20 10 EGCDRO CC[C@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000163669813 454861624 /nfs/dbraw/zinc/86/16/24/454861624.db2.gz YHSGFQQKOVBNSG-IBGZPJMESA-N 1 0 341.455 3.032 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000175707240 455484710 /nfs/dbraw/zinc/48/47/10/455484710.db2.gz QCEQWRLGIAJQJQ-KRWDZBQOSA-N 1 0 334.435 3.184 20 10 EGCDRO CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(N(C)C)cc1 ZINC000126632362 454907488 /nfs/dbraw/zinc/90/74/88/454907488.db2.gz UMXZQQJRJWWWJG-SFHVURJKSA-N 1 0 341.503 3.354 20 10 EGCDRO COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185008955 455486233 /nfs/dbraw/zinc/48/62/33/455486233.db2.gz GTZBIYSHBMBJOW-NSHDSACASA-N 1 0 335.275 3.318 20 10 EGCDRO O=C(CCC[NH2+]Cc1c(O)cccc1Cl)N1Cc2ccccc2C1 ZINC000113341650 454924348 /nfs/dbraw/zinc/92/43/48/454924348.db2.gz GBRBOTYFONUQRL-UHFFFAOYSA-N 1 0 344.842 3.458 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(O)c1 ZINC000151375760 454976502 /nfs/dbraw/zinc/97/65/02/454976502.db2.gz MKNPIUHSGWRTAQ-QAPCUYQASA-N 1 0 337.485 3.325 20 10 EGCDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000127803076 454999312 /nfs/dbraw/zinc/99/93/12/454999312.db2.gz NONWMMWYDHPTPM-OAHLLOKOSA-N 1 0 330.451 3.443 20 10 EGCDRO CN(C[C@H]1CCC[N@H+](Cc2ccccc2O)C1)C(=O)OC(C)(C)C ZINC000179561772 455058551 /nfs/dbraw/zinc/05/85/51/455058551.db2.gz VIWJFCCFPPWIGO-OAHLLOKOSA-N 1 0 334.460 3.471 20 10 EGCDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179560199 455058639 /nfs/dbraw/zinc/05/86/39/455058639.db2.gz VVGDCIRTXCVVEW-UHFFFAOYSA-N 1 0 340.423 3.252 20 10 EGCDRO COCC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000179560419 455059029 /nfs/dbraw/zinc/05/90/29/455059029.db2.gz HVEGEICHLGAJIT-UHFFFAOYSA-N 1 0 331.412 3.058 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O ZINC000179656926 455065146 /nfs/dbraw/zinc/06/51/46/455065146.db2.gz YNVHJEBJRIBKTE-QGZVFWFLSA-N 1 0 340.471 3.398 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCO1 ZINC000179882142 455093146 /nfs/dbraw/zinc/09/31/46/455093146.db2.gz PXQAXVJOARUBHB-KRWDZBQOSA-N 1 0 331.387 3.418 20 10 EGCDRO Cc1cccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1O ZINC000179900034 455095774 /nfs/dbraw/zinc/09/57/74/455095774.db2.gz IETULSJDCSDJNH-UHFFFAOYSA-N 1 0 339.483 3.235 20 10 EGCDRO CC1CCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)CC1 ZINC000179947951 455104090 /nfs/dbraw/zinc/10/40/90/455104090.db2.gz PDTIETCPBDHRHP-UHFFFAOYSA-N 1 0 334.435 3.002 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152341133 455104427 /nfs/dbraw/zinc/10/44/27/455104427.db2.gz FYFREXWTQSJQAF-CABCVRRESA-N 1 0 329.419 3.469 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000172118373 455124868 /nfs/dbraw/zinc/12/48/68/455124868.db2.gz OFPVNMTZPPXTOD-MRXNPFEDSA-N 1 0 325.330 3.240 20 10 EGCDRO CCOC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130088305 455142235 /nfs/dbraw/zinc/14/22/35/455142235.db2.gz DXTJJBQOPQGENK-UONOGXRCSA-N 1 0 328.403 3.271 20 10 EGCDRO C[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000173388569 455277520 /nfs/dbraw/zinc/27/75/20/455277520.db2.gz SCFAWUBNKRBOED-UHFFFAOYSA-N 1 0 345.487 3.331 20 10 EGCDRO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(C)c1O ZINC000183517801 455302629 /nfs/dbraw/zinc/30/26/29/455302629.db2.gz KETXRQXAWOKMJI-UHFFFAOYSA-N 1 0 334.366 3.439 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000174508822 455398530 /nfs/dbraw/zinc/39/85/30/455398530.db2.gz OHUHNKCBPGWPSL-RBUKOAKNSA-N 1 0 348.462 3.100 20 10 EGCDRO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000245954723 455406162 /nfs/dbraw/zinc/40/61/62/455406162.db2.gz QIMNMALHMQPAIH-XEZPLFJOSA-N 1 0 326.387 3.024 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000185053681 455492634 /nfs/dbraw/zinc/49/26/34/455492634.db2.gz QQTDPFHCYZXWPX-INIZCTEOSA-N 1 0 325.456 3.411 20 10 EGCDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185077525 455496653 /nfs/dbraw/zinc/49/66/53/455496653.db2.gz MICQRWHDURDKSV-CQSZACIVSA-N 1 0 348.487 3.479 20 10 EGCDRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185150406 455510681 /nfs/dbraw/zinc/51/06/81/455510681.db2.gz IMPYAIIOLYEGRS-CQSZACIVSA-N 1 0 338.451 3.481 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464287 455561384 /nfs/dbraw/zinc/56/13/84/455561384.db2.gz OESZLNBSLCVYIV-DZGCQCFKSA-N 1 0 340.423 3.136 20 10 EGCDRO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000185498958 455568915 /nfs/dbraw/zinc/56/89/15/455568915.db2.gz DYRPFZZZDRSJTB-VIFPVBQESA-N 1 0 344.312 3.103 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1O ZINC000185639493 455587831 /nfs/dbraw/zinc/58/78/31/455587831.db2.gz WBKFTGQRBWQCRJ-UHFFFAOYSA-N 1 0 327.424 3.275 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000271412262 455627901 /nfs/dbraw/zinc/62/79/01/455627901.db2.gz XVTNDVSIUWINDX-GFCCVEGCSA-N 1 0 332.835 3.421 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cc(F)ccc1O ZINC000186022926 455678088 /nfs/dbraw/zinc/67/80/88/455678088.db2.gz NYLNGVBFMQXAMY-XHDPSFHLSA-N 1 0 332.350 3.127 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)c1 ZINC000186039139 455681545 /nfs/dbraw/zinc/68/15/45/455681545.db2.gz GSRYJIQBICAPJV-GFCCVEGCSA-N 1 0 343.402 3.320 20 10 EGCDRO C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cc(F)ccc1O ZINC000186039410 455681985 /nfs/dbraw/zinc/68/19/85/455681985.db2.gz QCNLDMZXUSVHQN-LLVKDONJSA-N 1 0 331.366 3.450 20 10 EGCDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1=O ZINC000186102263 455694303 /nfs/dbraw/zinc/69/43/03/455694303.db2.gz VSKDFPKXQKFRRK-HOCLYGCPSA-N 1 0 340.423 3.165 20 10 EGCDRO COc1cc(NCC[NH2+][C@H](C)c2cc(C)ccc2O)cc(OC)c1 ZINC000186154798 455704739 /nfs/dbraw/zinc/70/47/39/455704739.db2.gz GNSIETRRNBJLGF-CQSZACIVSA-N 1 0 330.428 3.481 20 10 EGCDRO Cc1ncsc1/C=C/C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000186172295 455708942 /nfs/dbraw/zinc/70/89/42/455708942.db2.gz OSXJEYIZHHFOQK-FDMDGMSGSA-N 1 0 339.464 3.476 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000186191256 455712499 /nfs/dbraw/zinc/71/24/99/455712499.db2.gz JIKZDVXRFJYTHM-HOCLYGCPSA-N 1 0 342.414 3.231 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccnc1OCCOC)c1ccc(N(C)C)cc1 ZINC000268787028 455713760 /nfs/dbraw/zinc/71/37/60/455713760.db2.gz SFVOBZFQTYNFCV-LJQANCHMSA-N 1 0 343.471 3.414 20 10 EGCDRO C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000268850061 455716143 /nfs/dbraw/zinc/71/61/43/455716143.db2.gz FQRHHZVPSYXOMU-QGZVFWFLSA-N 1 0 331.504 3.048 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1Oc1ccccc1 ZINC000186275873 455731366 /nfs/dbraw/zinc/73/13/66/455731366.db2.gz YXAAUUOPCRTQFR-SXLOBPIMSA-N 1 0 343.423 3.115 20 10 EGCDRO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000292767074 455752616 /nfs/dbraw/zinc/75/26/16/455752616.db2.gz JHCQOSRGNVRYDE-RDTXWAMCSA-N 1 0 342.414 3.325 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccnn1C ZINC000278168248 455775563 /nfs/dbraw/zinc/77/55/63/455775563.db2.gz CDRKQGHIGDAOOL-KFWWJZLASA-N 1 0 346.450 3.024 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000293433939 455786830 /nfs/dbraw/zinc/78/68/30/455786830.db2.gz OLAOQRYWFJZYDR-BEFAXECRSA-N 1 0 341.430 3.057 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c(O)c1 ZINC000293787620 455797399 /nfs/dbraw/zinc/79/73/99/455797399.db2.gz QLBBSERQZHGUPB-HOCLYGCPSA-N 1 0 333.403 3.239 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000293854140 455798845 /nfs/dbraw/zinc/79/88/45/455798845.db2.gz YOHBORMDAKUJBD-MRXNPFEDSA-N 1 0 326.440 3.388 20 10 EGCDRO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000293909288 455800673 /nfs/dbraw/zinc/80/06/73/455800673.db2.gz LRPOZEXZJJXJSF-LJQANCHMSA-N 1 0 343.398 3.392 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H]3CCSC3)cc2F)C[C@@H](C)O1 ZINC000278299385 455810828 /nfs/dbraw/zinc/81/08/28/455810828.db2.gz CMBTZGHYYOUERP-IIAWOOMASA-N 1 0 338.492 3.282 20 10 EGCDRO COc1ccncc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000294334630 455811553 /nfs/dbraw/zinc/81/15/53/455811553.db2.gz PEHYAGYZGQZZAN-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCn2ccnc2)cc1 ZINC000294751794 455826725 /nfs/dbraw/zinc/82/67/25/455826725.db2.gz KVQSTPPGGOYZJH-UHFFFAOYSA-N 1 0 326.469 3.371 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c(O)c1C ZINC000278441220 455836055 /nfs/dbraw/zinc/83/60/55/455836055.db2.gz KIZBWZTTYQBYAG-HZPDHXFCSA-N 1 0 328.460 3.062 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000278504480 455837986 /nfs/dbraw/zinc/83/79/86/455837986.db2.gz QUDYCEHCAXVULI-IEBWSBKVSA-N 1 0 341.503 3.196 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278558643 455839940 /nfs/dbraw/zinc/83/99/40/455839940.db2.gz IDWACTHBTZLGFR-FQEVSTJZSA-N 1 0 340.467 3.115 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)ccc1OC ZINC000295163809 455840821 /nfs/dbraw/zinc/84/08/21/455840821.db2.gz SORCNBMHQCACAZ-IBGZPJMESA-N 1 0 347.430 3.064 20 10 EGCDRO CCOC1CC([N@H+](C)Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295145583 455841151 /nfs/dbraw/zinc/84/11/51/455841151.db2.gz ARVBQUXZHFRNKK-UHFFFAOYSA-N 1 0 332.488 3.301 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1O ZINC000295171036 455842318 /nfs/dbraw/zinc/84/23/18/455842318.db2.gz UGXMDJGIMUPDGV-QSJFSLAZSA-N 1 0 332.444 3.298 20 10 EGCDRO COCCCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000285426466 455844257 /nfs/dbraw/zinc/84/42/57/455844257.db2.gz DXNAGIHCXDUDSJ-UHFFFAOYSA-N 1 0 327.424 3.327 20 10 EGCDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295583038 455853914 /nfs/dbraw/zinc/85/39/14/455853914.db2.gz SFBZFZXNQVCKIQ-FUHWJXTLSA-N 1 0 332.488 3.301 20 10 EGCDRO CCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1ccccc1 ZINC000279661894 455870653 /nfs/dbraw/zinc/87/06/53/455870653.db2.gz MAAQWJDTUINIAQ-HNAYVOBHSA-N 1 0 329.396 3.113 20 10 EGCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000279887882 455876263 /nfs/dbraw/zinc/87/62/63/455876263.db2.gz VASCWKXNVARQGL-IBGZPJMESA-N 1 0 329.488 3.025 20 10 EGCDRO CC(C)(O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000187500657 455917310 /nfs/dbraw/zinc/91/73/10/455917310.db2.gz XOUTUEYRKNSEQI-UHFFFAOYSA-N 1 0 340.467 3.040 20 10 EGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1Oc1ccccc1 ZINC000187638327 455932504 /nfs/dbraw/zinc/93/25/04/455932504.db2.gz SLCKYBXWOYZTLI-KPFFTGBYSA-N 1 0 343.423 3.115 20 10 EGCDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280302637 455941757 /nfs/dbraw/zinc/94/17/57/455941757.db2.gz OHGDFQZMGYMMGO-KPWVOAKYSA-N 1 0 336.423 3.018 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(CO)c1 ZINC000270420663 455952136 /nfs/dbraw/zinc/95/21/36/455952136.db2.gz FGBITDXDZCTYOV-OAHLLOKOSA-N 1 0 344.430 3.005 20 10 EGCDRO CC[C@@H](c1ccc(C)cc1O)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296648800 456000720 /nfs/dbraw/zinc/00/07/20/456000720.db2.gz YRFLYOOAZVKUIH-JZXOWHBKSA-N 1 0 338.451 3.433 20 10 EGCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296657102 456003294 /nfs/dbraw/zinc/00/32/94/456003294.db2.gz DTHMWFFQNDISPI-KXBFYZLASA-N 1 0 346.496 3.014 20 10 EGCDRO Cc1ccc([C@H]([NH2+]Cc2cc(C)ccc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280677133 456028730 /nfs/dbraw/zinc/02/87/30/456028730.db2.gz MUBXRDSTZKOKHT-HNAYVOBHSA-N 1 0 347.480 3.273 20 10 EGCDRO Cn1nncc1C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000288377681 456093966 /nfs/dbraw/zinc/09/39/66/456093966.db2.gz FPRPDZYTGPNYCB-UHFFFAOYSA-N 1 0 330.476 3.406 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000288669063 456102781 /nfs/dbraw/zinc/10/27/81/456102781.db2.gz WFPSWSPCZCZHRA-GFCCVEGCSA-N 1 0 334.213 3.421 20 10 EGCDRO CSC1(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000289226248 456118678 /nfs/dbraw/zinc/11/86/78/456118678.db2.gz JSRUVFSNTOEORT-KBPBESRZSA-N 1 0 338.492 3.425 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNc3ncc(Cl)cn3)cc2F)CC1 ZINC000301487681 456128465 /nfs/dbraw/zinc/12/84/65/456128465.db2.gz IPTOPVWFSSHION-UHFFFAOYSA-N 1 0 349.841 3.023 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)c(OC)c1 ZINC000271113058 456128678 /nfs/dbraw/zinc/12/86/78/456128678.db2.gz VGTWCVNWRNNCHD-UHFFFAOYSA-N 1 0 347.411 3.059 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CCCO)Cc2ccccn2)cc1 ZINC000289565756 456130945 /nfs/dbraw/zinc/13/09/45/456130945.db2.gz ZCIBNTCDDQAPNO-UHFFFAOYSA-N 1 0 327.472 3.312 20 10 EGCDRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cccc(OC)c1O ZINC000271192620 456165476 /nfs/dbraw/zinc/16/54/76/456165476.db2.gz QPZRRTVVRFIKPM-UHFFFAOYSA-N 1 0 348.409 3.497 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccsc1 ZINC000236878371 456196113 /nfs/dbraw/zinc/19/61/13/456196113.db2.gz UGHQUBUOHCKNAR-QGZVFWFLSA-N 1 0 331.485 3.072 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1O ZINC000236900247 456199941 /nfs/dbraw/zinc/19/99/41/456199941.db2.gz QCKCIDUYQQCKEX-MRXNPFEDSA-N 1 0 330.428 3.311 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(F)ccc1O ZINC000297433233 456220351 /nfs/dbraw/zinc/22/03/51/456220351.db2.gz VMTAFTBHEIWECD-ADDUCUOXSA-N 1 0 336.407 3.047 20 10 EGCDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2=O)cc1 ZINC000189085333 456221416 /nfs/dbraw/zinc/22/14/16/456221416.db2.gz CFXCXVZTUOLNKB-KSSFIOAISA-N 1 0 342.414 3.291 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c(O)c1C ZINC000273432972 456230731 /nfs/dbraw/zinc/23/07/31/456230731.db2.gz WIRALZKWKVPAAV-HOCLYGCPSA-N 1 0 333.403 3.239 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c(O)c1C ZINC000273447856 456231541 /nfs/dbraw/zinc/23/15/41/456231541.db2.gz FNQMBDMBJPZNPJ-KVSKMBFKSA-N 1 0 329.440 3.144 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](c3ccc(F)cc3)C1)OCO2 ZINC000273481054 456232820 /nfs/dbraw/zinc/23/28/20/456232820.db2.gz LGJJPHMWPWZWIH-NVXWUHKLSA-N 1 0 345.370 3.270 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275713662 456293341 /nfs/dbraw/zinc/29/33/41/456293341.db2.gz ZRCXDVZLWAROPZ-UHFFFAOYSA-N 1 0 346.519 3.157 20 10 EGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000290814548 456435724 /nfs/dbraw/zinc/43/57/24/456435724.db2.gz GJMGLAHIYILJEW-AWEZNQCLSA-N 1 0 328.250 3.041 20 10 EGCDRO Cc1cnn([C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)c1 ZINC000290868958 456453435 /nfs/dbraw/zinc/45/34/35/456453435.db2.gz KCOCSXXKABSHKE-AWEZNQCLSA-N 1 0 336.233 3.107 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000282389822 456497719 /nfs/dbraw/zinc/49/77/19/456497719.db2.gz OWORWQHUASZDMQ-HXUWFJFHSA-N 1 0 327.424 3.105 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnn2CCCOC)cc1F ZINC000282706389 456598680 /nfs/dbraw/zinc/59/86/80/456598680.db2.gz QNPXKEMQDUCANV-UHFFFAOYSA-N 1 0 348.466 3.195 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c(C(F)(F)F)c1 ZINC000291353372 456615774 /nfs/dbraw/zinc/61/57/74/456615774.db2.gz XMWZLWHAJIKXGP-HNNXBMFYSA-N 1 0 338.377 3.415 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCC23CCOCC3)c1O ZINC000282865926 456649718 /nfs/dbraw/zinc/64/97/18/456649718.db2.gz XPKFHCSZUMNRCW-HNNXBMFYSA-N 1 0 325.836 3.493 20 10 EGCDRO COCCn1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)cn1 ZINC000282949099 456673408 /nfs/dbraw/zinc/67/34/08/456673408.db2.gz ZCPUGVDGCGDOPR-CQSZACIVSA-N 1 0 325.412 3.239 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000283095870 456709624 /nfs/dbraw/zinc/70/96/24/456709624.db2.gz WULWGPCWEYGTGU-SFHVURJKSA-N 1 0 338.455 3.149 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000349381716 456958779 /nfs/dbraw/zinc/95/87/79/456958779.db2.gz QRZTWHYJXPCKAN-HNNXBMFYSA-N 1 0 342.487 3.160 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000349456414 456972599 /nfs/dbraw/zinc/97/25/99/456972599.db2.gz BNANPWQQGZOQLG-JKSUJKDBSA-N 1 0 342.487 3.159 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCCOC2)O1 ZINC000366473103 457819608 /nfs/dbraw/zinc/81/96/08/457819608.db2.gz WEDLOIHVYPVTEI-NQIIRXRSSA-N 1 0 344.499 3.447 20 10 EGCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000367721967 457976107 /nfs/dbraw/zinc/97/61/07/457976107.db2.gz ASQJMHPQGMBNKU-LJQANCHMSA-N 1 0 340.471 3.200 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000375689428 458020324 /nfs/dbraw/zinc/02/03/24/458020324.db2.gz QNMHLDKAXPRZMX-OAQYLSRUSA-N 1 0 340.467 3.331 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(Br)ccc1O ZINC000376895689 458416366 /nfs/dbraw/zinc/41/63/66/458416366.db2.gz XSWGYBAIXRPHLE-RJIBLYRGSA-N 1 0 326.234 3.373 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000471235260 458686840 /nfs/dbraw/zinc/68/68/40/458686840.db2.gz DQIRAVPAOOZZCL-HXUWFJFHSA-N 1 0 349.478 3.276 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000530107683 458687124 /nfs/dbraw/zinc/68/71/24/458687124.db2.gz UJXZGHROFDFFFR-AWEZNQCLSA-N 1 0 345.439 3.255 20 10 EGCDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472231894 458776367 /nfs/dbraw/zinc/77/63/67/458776367.db2.gz HWTQGSYPSWBSJF-MRXNPFEDSA-N 1 0 342.487 3.112 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000527796134 459738933 /nfs/dbraw/zinc/73/89/33/459738933.db2.gz IZEYWSGLQNGTJY-OAHLLOKOSA-N 1 0 348.805 3.388 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000529552079 459830690 /nfs/dbraw/zinc/83/06/90/459830690.db2.gz XPKOYUMTITVSPT-KRWDZBQOSA-N 1 0 349.837 3.334 20 10 EGCDRO c1[nH]c2ncccc2c1C1=CCN(c2cc(NC3CC3)ncn2)CC1 ZINC000575892905 460028533 /nfs/dbraw/zinc/02/85/33/460028533.db2.gz SVMJZYUTCXBUPP-UHFFFAOYSA-N 1 0 332.411 3.221 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(C)CC1)c1cc(Br)ccc1O ZINC000037267116 522560790 /nfs/dbraw/zinc/56/07/90/522560790.db2.gz BNFPSOPGOOMNSY-AWEZNQCLSA-N 1 0 327.266 3.290 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Br)ccc1O ZINC000037158055 522690566 /nfs/dbraw/zinc/69/05/66/522690566.db2.gz YXZWBKKCTWPYCQ-FZMZJTMJSA-N 1 0 338.249 3.481 20 10 EGCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1)CC(F)(F)F ZINC000093771159 546686427 /nfs/dbraw/zinc/68/64/27/546686427.db2.gz KNWABWAZAGKMNC-AWEZNQCLSA-N 1 0 330.394 3.407 20 10 EGCDRO Cc1cc(C(=O)NCC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1C ZINC000726194020 574544921 /nfs/dbraw/zinc/54/49/21/574544921.db2.gz GVLSDJNHHWOQGH-UHFFFAOYSA-N 1 0 327.472 3.473 20 10 EGCDRO C[C@@H]1CCc2c(sc(=O)n2CN(C)Cc2ccc(N(C)C)cc2)C1 ZINC000728040818 574713740 /nfs/dbraw/zinc/71/37/40/574713740.db2.gz IXPDVXCHFDPAMV-CQSZACIVSA-N 1 0 345.512 3.190 20 10 EGCDRO CCC(CC)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000729542709 574870459 /nfs/dbraw/zinc/87/04/59/574870459.db2.gz NSZUSYPUPXAUSQ-UHFFFAOYSA-N 1 0 331.504 3.364 20 10 EGCDRO COC(=O)CN(Cc1cc(Cl)cc(C(C)=O)c1O)C1CCCC1 ZINC000761957786 575000375 /nfs/dbraw/zinc/00/03/75/575000375.db2.gz NEEULPDFFNOTOT-UHFFFAOYSA-N 1 0 339.819 3.166 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000731281928 575063833 /nfs/dbraw/zinc/06/38/33/575063833.db2.gz FEMWGRNTHDGIMZ-INIZCTEOSA-N 1 0 333.476 3.188 20 10 EGCDRO Oc1ccccc1CN(Cc1nnnn1-c1ccccc1)C1CCCC1 ZINC000731846380 575211788 /nfs/dbraw/zinc/21/17/88/575211788.db2.gz XMFMQFFUJBTEBP-UHFFFAOYSA-N 1 0 349.438 3.313 20 10 EGCDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1=CC(=O)CS1 ZINC000731865414 575213487 /nfs/dbraw/zinc/21/34/87/575213487.db2.gz JKIVHRGSJXNZKE-UHFFFAOYSA-N 1 0 330.453 3.370 20 10 EGCDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000732277921 575253115 /nfs/dbraw/zinc/25/31/15/575253115.db2.gz SDTRBNFIXIYXHI-UHFFFAOYSA-N 1 0 330.453 3.096 20 10 EGCDRO C[S@](=O)CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000735084881 575600930 /nfs/dbraw/zinc/60/09/30/575600930.db2.gz WHNJRPRYFWXSIQ-QFIPXVFZSA-N 1 0 325.518 3.455 20 10 EGCDRO COC[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000742154361 576752258 /nfs/dbraw/zinc/75/22/58/576752258.db2.gz IHRKLYGNYPSBGZ-AWEZNQCLSA-N 1 0 327.380 3.139 20 10 EGCDRO C[C@H]1CCCN1CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742387304 576777870 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/nfs/dbraw/zinc/65/93/30/1293659330.db2.gz XIQHKTFDBJLTKO-LLVKDONJSA-N 1 0 332.263 3.101 20 10 EGCDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(Cl)nc2)C1 ZINC000132813751 1293729026 /nfs/dbraw/zinc/72/90/26/1293729026.db2.gz BJISIHASYODDMO-XAVKZTDYSA-N 1 0 341.842 3.268 20 10 EGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)CN1CCOCC1 ZINC000153100030 1293998785 /nfs/dbraw/zinc/99/87/85/1293998785.db2.gz FNTODIINZDIXRQ-OALUTQOASA-N 1 0 345.531 3.296 20 10 EGCDRO C[C@H]([NH2+]CCOc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155242099 1294090585 /nfs/dbraw/zinc/09/05/85/1294090585.db2.gz MOBHBTOKVVEIDV-INIZCTEOSA-N 1 0 344.430 3.392 20 10 EGCDRO CCCNC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000159647805 1294243130 /nfs/dbraw/zinc/24/31/30/1294243130.db2.gz KETUVPRLUBMOAG-UHFFFAOYSA-N 1 0 330.472 3.009 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000164171459 1294344755 /nfs/dbraw/zinc/34/47/55/1294344755.db2.gz JJHMBFLYVLVKSD-UHFFFAOYSA-N 1 0 334.460 3.498 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCCO3)CC1)CCC2 ZINC000175250517 1294545972 /nfs/dbraw/zinc/54/59/72/1294545972.db2.gz SQSXSVZHWJXXKT-LJQANCHMSA-N 1 0 331.456 3.041 20 10 EGCDRO Cc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(O)c1O ZINC000177672004 1294684866 /nfs/dbraw/zinc/68/48/66/1294684866.db2.gz PPANYBPTFMRIDT-UHFFFAOYSA-N 1 0 342.439 3.176 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(N2CCCCC2)cc1 ZINC000178489178 1294738184 /nfs/dbraw/zinc/73/81/84/1294738184.db2.gz GNOFLUQRYJHDHT-DLBZAZTESA-N 1 0 329.488 3.338 20 10 EGCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000178902740 1294762747 /nfs/dbraw/zinc/76/27/47/1294762747.db2.gz KQRRJHIJSBSSMH-CQSZACIVSA-N 1 0 335.444 3.226 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)cc1 ZINC000181513158 1294975665 /nfs/dbraw/zinc/97/56/65/1294975665.db2.gz UJHVUHDDZOWJIF-UHFFFAOYSA-N 1 0 348.487 3.329 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000182382484 1295042326 /nfs/dbraw/zinc/04/23/26/1295042326.db2.gz MUTUAAPRZKZRAN-LSDHHAIUSA-N 1 0 336.476 3.382 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOc2ccc(C#N)cc2)c1 ZINC000182433063 1295047562 /nfs/dbraw/zinc/04/75/62/1295047562.db2.gz KKAYYZREKRMBCO-CQSZACIVSA-N 1 0 326.396 3.392 20 10 EGCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c(C)s1 ZINC000182467135 1295050556 /nfs/dbraw/zinc/05/05/56/1295050556.db2.gz WCPFTTHCGLPRJH-JTQLQIEISA-N 1 0 335.425 3.408 20 10 EGCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000185191695 1295246816 /nfs/dbraw/zinc/24/68/16/1295246816.db2.gz RWYGYMXEMWSYLE-UXHICEINSA-N 1 0 332.488 3.207 20 10 EGCDRO CCN(CC[NH2+][C@H](C)c1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000185315470 1295254854 /nfs/dbraw/zinc/25/48/54/1295254854.db2.gz OUBPZSCFERIBMT-GFCCVEGCSA-N 1 0 326.412 3.439 20 10 EGCDRO C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000185523747 1295269850 /nfs/dbraw/zinc/26/98/50/1295269850.db2.gz XXRJPTJBGQJPOQ-CVEARBPZSA-N 1 0 333.472 3.365 20 10 EGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000186753529 1295348125 /nfs/dbraw/zinc/34/81/25/1295348125.db2.gz YXONZQMXTLAXBP-CABCVRRESA-N 1 0 333.476 3.270 20 10 EGCDRO COc1cccc(C[N@@H+]2CCN(c3ccccc3F)C[C@@H]2C)c1O ZINC000188034521 1295430085 /nfs/dbraw/zinc/43/00/85/1295430085.db2.gz AWMGHPBJQUPNSU-AWEZNQCLSA-N 1 0 330.403 3.251 20 10 EGCDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cc(C)ccc1O)c1ccccc1 ZINC000191632611 1295698568 /nfs/dbraw/zinc/69/85/68/1295698568.db2.gz SZDDDMUIOBCCPN-FQEVSTJZSA-N 1 0 327.424 3.311 20 10 EGCDRO C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000195527080 1296073517 /nfs/dbraw/zinc/07/35/17/1296073517.db2.gz MBTOHEGECXOGJX-BBWFWOEESA-N 1 0 329.488 3.164 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)c(C)n1-c1ccc(Cl)cc1 ZINC000237742467 1296261315 /nfs/dbraw/zinc/26/13/15/1296261315.db2.gz XJXIXHMFJFYPHW-HNNXBMFYSA-N 1 0 345.874 3.477 20 10 EGCDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)CO1 ZINC000246834273 1296371864 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CCCOc1ccc(C[NH2+]Cc2c(CC)nn(C)c2OC)cc1C ZINC000873100301 1297273090 /nfs/dbraw/zinc/27/30/90/1297273090.db2.gz OFGJKWQIDWXHFD-UHFFFAOYSA-N 1 0 331.460 3.378 20 10 EGCDRO C[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCNC(=O)CC3)cc2Cl)C1 ZINC000873121374 1297281074 /nfs/dbraw/zinc/28/10/74/1297281074.db2.gz HVTZZQSKUCMGDU-HOCLYGCPSA-N 1 0 349.906 3.335 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1C ZINC000873127152 1297283639 /nfs/dbraw/zinc/28/36/39/1297283639.db2.gz NKBJIGKZCLGMSH-INIZCTEOSA-N 1 0 338.517 3.083 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1Cn1cccn1 ZINC000873131104 1297287292 /nfs/dbraw/zinc/28/72/92/1297287292.db2.gz LWRXCRJCWHUXOS-INIZCTEOSA-N 1 0 335.398 3.465 20 10 EGCDRO Cc1cc(C[NH2+][C@H]2CCNC(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000873148347 1297301073 /nfs/dbraw/zinc/30/10/73/1297301073.db2.gz LPHDDVISCUJRPX-GOSISDBHSA-N 1 0 325.456 3.161 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1C ZINC000873150457 1297301745 /nfs/dbraw/zinc/30/17/45/1297301745.db2.gz KOKKGKJSVVTMCL-HNNXBMFYSA-N 1 0 342.365 3.269 20 10 EGCDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379660168 1297536204 /nfs/dbraw/zinc/53/62/04/1297536204.db2.gz BTUYQYDYHZVDDV-KXBFYZLASA-N 1 0 338.455 3.443 20 10 EGCDRO CC[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1O ZINC000380259343 1297544298 /nfs/dbraw/zinc/54/42/98/1297544298.db2.gz PIZACDKZXCMMLA-AWEZNQCLSA-N 1 0 338.249 3.482 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000392001981 1297649697 /nfs/dbraw/zinc/64/96/97/1297649697.db2.gz OYSOFBHATGCGGN-GOSISDBHSA-N 1 0 331.504 3.399 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000697870374 1298165080 /nfs/dbraw/zinc/16/50/80/1298165080.db2.gz FXTVOKASHCEVCZ-QWHCGFSZSA-N 1 0 338.448 3.212 20 10 EGCDRO CO[C@](C)(C[NH2+]Cc1cc(F)ccc1O)COCc1ccccc1 ZINC000702764005 1298196959 /nfs/dbraw/zinc/19/69/59/1298196959.db2.gz ONXSKHAESHFZOE-LJQANCHMSA-N 1 0 333.403 3.243 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1O ZINC000716179513 1298294653 /nfs/dbraw/zinc/29/46/53/1298294653.db2.gz SIZHGGCLYSPLIA-SFHVURJKSA-N 1 0 326.440 3.155 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000875478156 1298354894 /nfs/dbraw/zinc/35/48/94/1298354894.db2.gz WPOJXLAFTLCZEP-JKSUJKDBSA-N 1 0 345.487 3.153 20 10 EGCDRO CCC1(C)CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000725806134 1298367692 /nfs/dbraw/zinc/36/76/92/1298367692.db2.gz UWQFOJKMEORTIF-UHFFFAOYSA-N 1 0 331.504 3.223 20 10 EGCDRO Oc1ccccc1C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000725850920 1298377358 /nfs/dbraw/zinc/37/73/58/1298377358.db2.gz DSYMFGDFRPHKMN-UHFFFAOYSA-N 1 0 349.434 3.067 20 10 EGCDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC000875573118 1298393934 /nfs/dbraw/zinc/39/39/34/1298393934.db2.gz ANMCFTXYWSHQBP-ZBFHGGJFSA-N 1 0 345.443 3.222 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000745853769 1298491779 /nfs/dbraw/zinc/49/17/79/1298491779.db2.gz BQGMURRLOFGYLZ-AEFFLSMTSA-N 1 0 346.519 3.157 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745854645 1298491912 /nfs/dbraw/zinc/49/19/12/1298491912.db2.gz MXJAUNAZWSVIQZ-AEFFLSMTSA-N 1 0 346.519 3.155 20 10 EGCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3ccccc3)CC2)cc1 ZINC000746049254 1298519013 /nfs/dbraw/zinc/51/90/13/1298519013.db2.gz NIPWCPQVKKAQJV-GOSISDBHSA-N 1 0 339.483 3.168 20 10 EGCDRO CCc1nc(CN2CC[NH+](Cc3c(C)cccc3O)CC2)cs1 ZINC000876639801 1298887991 /nfs/dbraw/zinc/88/79/91/1298887991.db2.gz ULMJIVSNBZYARS-UHFFFAOYSA-N 1 0 331.485 3.037 20 10 EGCDRO Cc1cccc(O)c1CN(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000876796565 1298992158 /nfs/dbraw/zinc/99/21/58/1298992158.db2.gz GSIDHLNHIMFDNW-AWEZNQCLSA-N 1 0 333.432 3.449 20 10 EGCDRO Cc1cccc(O)c1CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000876827968 1299019590 /nfs/dbraw/zinc/01/95/90/1299019590.db2.gz UXMAUDBHWXMBAP-UHFFFAOYSA-N 1 0 326.440 3.269 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000876929179 1299072573 /nfs/dbraw/zinc/07/25/73/1299072573.db2.gz VDMZTVKLIVSLOM-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876966439 1299092219 /nfs/dbraw/zinc/09/22/19/1299092219.db2.gz VNPLABSYTMUORO-UHFFFAOYSA-N 1 0 344.430 3.091 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000876999794 1299108612 /nfs/dbraw/zinc/10/86/12/1299108612.db2.gz YZRWCMSAXZGREU-LBPRGKRZSA-N 1 0 329.271 3.447 20 10 EGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168261 1299191159 /nfs/dbraw/zinc/19/11/59/1299191159.db2.gz QTPDYNKFVGLPJF-GJZGRUSLSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c(C)n1-c1cccc(C)c1 ZINC000877292417 1299238624 /nfs/dbraw/zinc/23/86/24/1299238624.db2.gz MOUIVIPEFYTQHT-QAQDUYKDSA-N 1 0 325.456 3.402 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749799232 1299274574 /nfs/dbraw/zinc/27/45/74/1299274574.db2.gz VDPNRWFQAHJGHQ-JKSUJKDBSA-N 1 0 327.424 3.412 20 10 EGCDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877492372 1299343610 /nfs/dbraw/zinc/34/36/10/1299343610.db2.gz XAYBFAZUHJXDCJ-HXUWFJFHSA-N 1 0 332.488 3.039 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CCC4(CC4(F)F)CC3)cc2)CC1 ZINC000877612995 1299432015 /nfs/dbraw/zinc/43/20/15/1299432015.db2.gz SEEHTJYYUUUKGZ-UHFFFAOYSA-N 1 0 336.426 3.269 20 10 EGCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000877818331 1299578339 /nfs/dbraw/zinc/57/83/39/1299578339.db2.gz FYUPQNLAAHZXNY-GFCCVEGCSA-N 1 0 341.835 3.219 20 10 EGCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000877818332 1299578768 /nfs/dbraw/zinc/57/87/68/1299578768.db2.gz FYUPQNLAAHZXNY-LBPRGKRZSA-N 1 0 341.835 3.219 20 10 EGCDRO CN1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753526673 1299961634 /nfs/dbraw/zinc/96/16/34/1299961634.db2.gz AEHYVJFUPVQMOV-UHFFFAOYSA-N 1 0 326.440 3.109 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1O ZINC000753550133 1299970735 /nfs/dbraw/zinc/97/07/35/1299970735.db2.gz URQZWVAYHRRYAK-JXFKEZNVSA-N 1 0 327.424 3.174 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1O ZINC000753550142 1299972134 /nfs/dbraw/zinc/97/21/34/1299972134.db2.gz URQZWVAYHRRYAK-OXQOHEQNSA-N 1 0 327.424 3.174 20 10 EGCDRO COC(=O)c1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000878455358 1300013268 /nfs/dbraw/zinc/01/32/68/1300013268.db2.gz XEMIGUBUKHIUSQ-AWEZNQCLSA-N 1 0 342.439 3.399 20 10 EGCDRO COCC(C)(C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000755194994 1300297635 /nfs/dbraw/zinc/29/76/35/1300297635.db2.gz MTEDXEOWCYWAJA-HUUCEWRRSA-N 1 0 338.467 3.202 20 10 EGCDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000756380034 1300479616 /nfs/dbraw/zinc/47/96/16/1300479616.db2.gz SAANGPBAJQCBFQ-CQSZACIVSA-N 1 0 328.412 3.136 20 10 EGCDRO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Br)ccc1O ZINC000756381517 1300480787 /nfs/dbraw/zinc/48/07/87/1300480787.db2.gz MMCCLZDBQNDUPL-BMIGLBTASA-N 1 0 349.228 3.032 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)c2c1c(F)ccc2O ZINC000756393726 1300483322 /nfs/dbraw/zinc/48/33/22/1300483322.db2.gz UGRRJOVDSTYEOC-HZMBPMFUSA-N 1 0 329.375 3.360 20 10 EGCDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)ccc1OCCO ZINC000756458414 1300495889 /nfs/dbraw/zinc/49/58/89/1300495889.db2.gz MMXKFXPSYFIIBY-CABCVRRESA-N 1 0 345.439 3.492 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)c2c1c(F)ccc2O ZINC000756455566 1300496018 /nfs/dbraw/zinc/49/60/18/1300496018.db2.gz KINBHMGRJQXRRJ-DOMZBBRYSA-N 1 0 349.427 3.143 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c1 ZINC000756457942 1300496271 /nfs/dbraw/zinc/49/62/71/1300496271.db2.gz IJUCSJNSXOZTNQ-DLBZAZTESA-N 1 0 329.440 3.408 20 10 EGCDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756458935 1300497690 /nfs/dbraw/zinc/49/76/90/1300497690.db2.gz LOCODJKLTLMXSY-ZBFHGGJFSA-N 1 0 333.403 3.239 20 10 EGCDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(Br)cc1O ZINC000756470475 1300498682 /nfs/dbraw/zinc/49/86/82/1300498682.db2.gz QNKIEHKYOZYNRJ-MRVPVSSYSA-N 1 0 342.155 3.384 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(Br)cc1O ZINC000756494304 1300505947 /nfs/dbraw/zinc/50/59/47/1300505947.db2.gz LIEAGYMBSLUYQW-WDEREUQCSA-N 1 0 336.233 3.227 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CC2(N3CCCC3)CCOCC2)c2c1c(F)ccc2O ZINC000756545076 1300518793 /nfs/dbraw/zinc/51/87/93/1300518793.db2.gz XWHQYZQNQYXITQ-ZBFHGGJFSA-N 1 0 348.462 3.314 20 10 EGCDRO COc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756564270 1300522535 /nfs/dbraw/zinc/52/25/35/1300522535.db2.gz RSGRLCZZJCGILA-UXEPBGEESA-N 1 0 331.387 3.411 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(Br)cc1O ZINC000756619257 1300533699 /nfs/dbraw/zinc/53/36/99/1300533699.db2.gz XCTZKMZKXRGIDO-NWDGAFQWSA-N 1 0 327.266 3.290 20 10 EGCDRO C[C@@H]([NH2+]CCCNc1ncccn1)c1cc2c(cc1O)CCCC2 ZINC000756643111 1300539828 /nfs/dbraw/zinc/53/98/28/1300539828.db2.gz RKUUZUJYIYEQHZ-CQSZACIVSA-N 1 0 326.444 3.214 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000756737073 1300556246 /nfs/dbraw/zinc/55/62/46/1300556246.db2.gz DEELGLMSNABNAC-DRZSPHRISA-N 1 0 331.865 3.052 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc2ccccc2c1O ZINC000757653705 1300704018 /nfs/dbraw/zinc/70/40/18/1300704018.db2.gz JRMGFEKWAZNSHF-HIFRSBDPSA-N 1 0 333.453 3.163 20 10 EGCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000757919577 1300758085 /nfs/dbraw/zinc/75/80/85/1300758085.db2.gz LIISEGRLLDLROF-HXUWFJFHSA-N 1 0 343.423 3.117 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC000758486523 1300896755 /nfs/dbraw/zinc/89/67/55/1300896755.db2.gz DVGOVELRZMJZER-UHFFFAOYSA-N 1 0 348.393 3.100 20 10 EGCDRO OC[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)C[C@@H]1c1ccc(F)cc1 ZINC000758528157 1300904533 /nfs/dbraw/zinc/90/45/33/1300904533.db2.gz KAPOQTGQKOEHMC-AEFFLSMTSA-N 1 0 335.806 3.441 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC(F)F)c1O ZINC000760035726 1301212923 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C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCN1CC(F)(F)F ZINC000762511333 1301696135 /nfs/dbraw/zinc/69/61/35/1301696135.db2.gz YXMJDBNTSIMXOS-GFCCVEGCSA-N 1 0 339.361 3.009 20 10 EGCDRO Cc1cc(C)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000881855424 1301742688 /nfs/dbraw/zinc/74/26/88/1301742688.db2.gz WDHQEMRCVXUDKE-UHFFFAOYSA-N 1 0 343.496 3.047 20 10 EGCDRO Cc1noc(C[C@@H]([NH2+]Cc2cc(F)ccc2O)c2ccccc2)n1 ZINC000763545919 1301922637 /nfs/dbraw/zinc/92/26/37/1301922637.db2.gz GGVBTRHAIMXZIE-MRXNPFEDSA-N 1 0 327.359 3.296 20 10 EGCDRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000763559568 1301923691 /nfs/dbraw/zinc/92/36/91/1301923691.db2.gz UGAZMEUJPSLABE-LIRRHRJNSA-N 1 0 333.472 3.099 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000764746414 1302126518 /nfs/dbraw/zinc/12/65/18/1302126518.db2.gz ZVHWENGZYKBGNO-BZSNNMDCSA-N 1 0 333.520 3.293 20 10 EGCDRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(N(C)C)cc1 ZINC000764806467 1302138979 /nfs/dbraw/zinc/13/89/79/1302138979.db2.gz QHVWTLBKKZJSQM-BEFAXECRSA-N 1 0 344.503 3.130 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000764809486 1302141111 /nfs/dbraw/zinc/14/11/11/1302141111.db2.gz KBUGZEHVMBSALB-LPHOPBHVSA-N 1 0 328.456 3.233 20 10 EGCDRO CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000882942656 1302174900 /nfs/dbraw/zinc/17/49/00/1302174900.db2.gz KVXZWSMILWWREA-LLVKDONJSA-N 1 0 345.256 3.115 20 10 EGCDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765333962 1302248977 /nfs/dbraw/zinc/24/89/77/1302248977.db2.gz OCWVIIFPPMMCDP-OAHLLOKOSA-N 1 0 335.467 3.335 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cn4ccsc4n3)CC2)cc1 ZINC000765349530 1302250852 /nfs/dbraw/zinc/25/08/52/1302250852.db2.gz NFWZJXSNLAUQQN-UHFFFAOYSA-N 1 0 342.468 3.163 20 10 EGCDRO CC(=O)N1CC[N@H+](Cc2cc(C)cc(C)c2O)CC12CCCCC2 ZINC000765701834 1302311753 /nfs/dbraw/zinc/31/17/53/1302311753.db2.gz YYPRACAZVQIBHE-UHFFFAOYSA-N 1 0 330.472 3.376 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765960211 1302358126 /nfs/dbraw/zinc/35/81/26/1302358126.db2.gz WBMQLPURYNWEGB-KBXCAEBGSA-N 1 0 338.879 3.254 20 10 EGCDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000766029558 1302373369 /nfs/dbraw/zinc/37/33/69/1302373369.db2.gz INAGYOYOFXGUKC-OAHLLOKOSA-N 1 0 342.439 3.494 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000766606604 1302486128 /nfs/dbraw/zinc/48/61/28/1302486128.db2.gz OQGNIVXEOBBPQB-IOMROCGXSA-N 1 0 345.531 3.437 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(Cc3ccccc3)CC1)[C@H](O)CO2 ZINC000768438029 1302901776 /nfs/dbraw/zinc/90/17/76/1302901776.db2.gz OKPOMIZLKUHORN-HXUWFJFHSA-N 1 0 339.435 3.273 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c(O)cc1C ZINC000768447787 1302905593 /nfs/dbraw/zinc/90/55/93/1302905593.db2.gz PRQJKGJWZGBWSV-UHFFFAOYSA-N 1 0 348.393 3.310 20 10 EGCDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444312 1302906617 /nfs/dbraw/zinc/90/66/17/1302906617.db2.gz XGXHZWMBWKBDHU-MJGOQNOKSA-N 1 0 325.408 3.464 20 10 EGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccccc3O)c2)CC1 ZINC000768526898 1302923849 /nfs/dbraw/zinc/92/38/49/1302923849.db2.gz RDRXTPCQPFXVFK-UHFFFAOYSA-N 1 0 339.439 3.175 20 10 EGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000768919813 1303011683 /nfs/dbraw/zinc/01/16/83/1303011683.db2.gz VZSBGKCETQXCNM-UHFFFAOYSA-N 1 0 348.487 3.261 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c1 ZINC000769111916 1303049486 /nfs/dbraw/zinc/04/94/86/1303049486.db2.gz SVXQVCKKYPRXBM-UHFFFAOYSA-N 1 0 330.472 3.362 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc1F ZINC000769313971 1303090745 /nfs/dbraw/zinc/09/07/45/1303090745.db2.gz AMFDTXVBXDTBHS-UHFFFAOYSA-N 1 0 336.451 3.445 20 10 EGCDRO Fc1cc(C[N@@H+]2CC[C@H](c3ccco3)C2)ccc1N1CCOCC1 ZINC000769390209 1303105169 /nfs/dbraw/zinc/10/51/69/1303105169.db2.gz RKBZTBMJODUJLF-INIZCTEOSA-N 1 0 330.403 3.245 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)ccc1OC ZINC000769414574 1303109948 /nfs/dbraw/zinc/10/99/48/1303109948.db2.gz UDUWMQXTXUQNHI-SFHVURJKSA-N 1 0 349.471 3.050 20 10 EGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c(O)c1 ZINC000769494987 1303126270 /nfs/dbraw/zinc/12/62/70/1303126270.db2.gz DNZUPAZVPGJDME-DLBZAZTESA-N 1 0 334.460 3.012 20 10 EGCDRO OCCOC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769537644 1303136871 /nfs/dbraw/zinc/13/68/71/1303136871.db2.gz NQZLZRQNUZMEHQ-UHFFFAOYSA-N 1 0 327.424 3.033 20 10 EGCDRO CCOc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c(O)c1 ZINC000769932099 1303195252 /nfs/dbraw/zinc/19/52/52/1303195252.db2.gz MNZZSGZPQOMTCA-UHFFFAOYSA-N 1 0 342.439 3.106 20 10 EGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000770383580 1303258433 /nfs/dbraw/zinc/25/84/33/1303258433.db2.gz PQZSXBVCERAPSP-HNNXBMFYSA-N 1 0 335.444 3.346 20 10 EGCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770385270 1303259422 /nfs/dbraw/zinc/25/94/22/1303259422.db2.gz VUAAUOFDHSMUIF-OAHLLOKOSA-N 1 0 336.451 3.447 20 10 EGCDRO CC(C)n1cc(Cl)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000886367047 1303449304 /nfs/dbraw/zinc/44/93/04/1303449304.db2.gz HIDKVHOPWFJXSH-UHFFFAOYSA-N 1 0 347.894 3.481 20 10 EGCDRO COc1c(F)cc(F)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771852955 1303449603 /nfs/dbraw/zinc/44/96/03/1303449603.db2.gz AKOHQOYNSCABFZ-UHFFFAOYSA-N 1 0 347.409 3.337 20 10 EGCDRO C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1c([O-])cccc1F ZINC000886610665 1303522422 /nfs/dbraw/zinc/52/24/22/1303522422.db2.gz GXXYSTXENMBYHE-AWEZNQCLSA-N 1 0 347.434 3.108 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000773016759 1303609130 /nfs/dbraw/zinc/60/91/30/1303609130.db2.gz RPJVOAPUBJMABR-JQHSSLGASA-N 1 0 338.517 3.149 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773074566 1303619346 /nfs/dbraw/zinc/61/93/46/1303619346.db2.gz VXCRBFXEJRTQBL-TWOQFEAHSA-N 1 0 349.494 3.186 20 10 EGCDRO CC(C)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000773086134 1303622186 /nfs/dbraw/zinc/62/21/86/1303622186.db2.gz ZEMOGGYACIOLRU-NQIIRXRSSA-N 1 0 345.531 3.437 20 10 EGCDRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773212210 1303644691 /nfs/dbraw/zinc/64/46/91/1303644691.db2.gz OPALHKQKMLTOFX-INIZCTEOSA-N 1 0 346.519 3.233 20 10 EGCDRO CC(C)[NH+](CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000773617751 1303714908 /nfs/dbraw/zinc/71/49/08/1303714908.db2.gz FJJHHCZPEHWEOR-MRXNPFEDSA-N 1 0 334.508 3.232 20 10 EGCDRO CCN(C)c1ccc(CN2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000773836106 1303743839 /nfs/dbraw/zinc/74/38/39/1303743839.db2.gz DKHYGUZAHWTVMQ-RTBURBONSA-N 1 0 333.545 3.154 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1cccs1 ZINC000774486747 1303816773 /nfs/dbraw/zinc/81/67/73/1303816773.db2.gz YJBMOJODTKJJKS-LSDHHAIUSA-N 1 0 345.512 3.212 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC)c1 ZINC000775376021 1303948723 /nfs/dbraw/zinc/94/87/23/1303948723.db2.gz RCWGWXYXPKWNEV-CHWSQXEVSA-N 1 0 344.411 3.087 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CCO)C2)c1O ZINC000775681220 1304014202 /nfs/dbraw/zinc/01/42/02/1304014202.db2.gz NPZOISDCJVDGMD-GFCCVEGCSA-N 1 0 328.250 3.058 20 10 EGCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000775677765 1304013125 /nfs/dbraw/zinc/01/31/25/1304013125.db2.gz JEWDOSMJRYXEEJ-MJGOQNOKSA-N 1 0 331.504 3.269 20 10 EGCDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775835273 1304046304 /nfs/dbraw/zinc/04/63/04/1304046304.db2.gz SXZDARRKVAAHKD-LPHOPBHVSA-N 1 0 328.456 3.152 20 10 EGCDRO COC(=O)c1ccccc1OCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775833390 1304046456 /nfs/dbraw/zinc/04/64/56/1304046456.db2.gz CLKZNFNDFCSBFN-OAHLLOKOSA-N 1 0 342.439 3.269 20 10 EGCDRO Cc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833006 1304046684 /nfs/dbraw/zinc/04/66/84/1304046684.db2.gz FDYUDIXGPLDMCM-MRXNPFEDSA-N 1 0 325.456 3.028 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@@H]1OC ZINC000775978935 1304073952 /nfs/dbraw/zinc/07/39/52/1304073952.db2.gz PINRNNSBCVKNJI-RLLQIKCJSA-N 1 0 327.424 3.341 20 10 EGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776174370 1304106978 /nfs/dbraw/zinc/10/69/78/1304106978.db2.gz MWMSBKDDTKOJHA-IAQYHMDHSA-N 1 0 330.266 3.350 20 10 EGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1(C)C ZINC000776229713 1304117645 /nfs/dbraw/zinc/11/76/45/1304117645.db2.gz ATWKERXCCDXZNY-OLZOCXBDSA-N 1 0 328.250 3.366 20 10 EGCDRO CN(C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000779034110 1304521131 /nfs/dbraw/zinc/52/11/31/1304521131.db2.gz VRBDFAJJJVTXIP-OAHLLOKOSA-N 1 0 338.423 3.363 20 10 EGCDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000779031899 1304521167 /nfs/dbraw/zinc/52/11/67/1304521167.db2.gz BGXZFSQACDAKJA-SWLSCSKDSA-N 1 0 338.423 3.409 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1O ZINC000779040581 1304522237 /nfs/dbraw/zinc/52/22/37/1304522237.db2.gz YVTCCGZQRBMHGH-RAIGVLPGSA-N 1 0 328.250 3.417 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)c(O)c1 ZINC000779604133 1304586540 /nfs/dbraw/zinc/58/65/40/1304586540.db2.gz HNCUOQNVUWFMQQ-HNNXBMFYSA-N 1 0 335.444 3.202 20 10 EGCDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000780593556 1304713775 /nfs/dbraw/zinc/71/37/75/1304713775.db2.gz HHNZLFIDBSKCCT-TZIWHRDSSA-N 1 0 346.515 3.333 20 10 EGCDRO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000780719409 1304729256 /nfs/dbraw/zinc/72/92/56/1304729256.db2.gz UZADZTNTOUPLQE-INIZCTEOSA-N 1 0 325.456 3.331 20 10 EGCDRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000783222799 1305065045 /nfs/dbraw/zinc/06/50/45/1305065045.db2.gz GFRLGEJHTBPEDQ-GOEBONIOSA-N 1 0 326.444 3.033 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)c1O ZINC000783716493 1305131273 /nfs/dbraw/zinc/13/12/73/1305131273.db2.gz ADZINQHJVGENRK-OAHLLOKOSA-N 1 0 333.350 3.334 20 10 EGCDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCCN1C1CCCCC1 ZINC000785549521 1305376056 /nfs/dbraw/zinc/37/60/56/1305376056.db2.gz VJNJUIXWUSMMHH-SFHVURJKSA-N 1 0 328.456 3.035 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)cc1C ZINC000785548967 1305376111 /nfs/dbraw/zinc/37/61/11/1305376111.db2.gz PZFHRTLJCZJSLT-GOSISDBHSA-N 1 0 330.472 3.422 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccccc2OC(F)F)c(O)c1OC ZINC000892489987 1305402797 /nfs/dbraw/zinc/40/27/97/1305402797.db2.gz LNWPGFIXJODYTN-UHFFFAOYSA-N 1 0 339.338 3.301 20 10 EGCDRO O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2c[nH+]cn2c1 ZINC000785980770 1305487198 /nfs/dbraw/zinc/48/71/98/1305487198.db2.gz DLZGPANBQHMBBP-UHFFFAOYSA-N 1 0 334.423 3.255 20 10 EGCDRO COc1ccc(C[NH2+]CCCCN(C)c2ccccc2)c(O)c1OC ZINC000892659579 1305491994 /nfs/dbraw/zinc/49/19/94/1305491994.db2.gz UAKBQVPWMBOHTR-UHFFFAOYSA-N 1 0 344.455 3.416 20 10 EGCDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000788542094 1305966693 /nfs/dbraw/zinc/96/66/93/1305966693.db2.gz JYODGTCELUKGTF-IBGZPJMESA-N 1 0 344.528 3.251 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000788563859 1305972202 /nfs/dbraw/zinc/97/22/02/1305972202.db2.gz ODXINWGRUHUFHK-CABCVRRESA-N 1 0 327.428 3.036 20 10 EGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(OC)c(OC)c1O)CC2 ZINC000893905658 1306123596 /nfs/dbraw/zinc/12/35/96/1306123596.db2.gz QBXVHAXYQMCQLH-UHFFFAOYSA-N 1 0 343.423 3.019 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1OC ZINC000789777737 1306215420 /nfs/dbraw/zinc/21/54/20/1306215420.db2.gz BNDDSYKEYKOZOM-PMACEKPBSA-N 1 0 345.439 3.257 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CC2(CCOCC2)O1 ZINC000790401635 1306317764 /nfs/dbraw/zinc/31/77/64/1306317764.db2.gz NEEHDVXNADDNKI-HNNXBMFYSA-N 1 0 331.456 3.041 20 10 EGCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000894287195 1306322263 /nfs/dbraw/zinc/32/22/63/1306322263.db2.gz UHVVXIQUILTKBX-IAGOWNOFSA-N 1 0 346.519 3.187 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c(O)c1OC ZINC000894436867 1308883478 /nfs/dbraw/zinc/88/34/78/1308883478.db2.gz UROFPVRACHYDGZ-UHFFFAOYSA-N 1 0 326.396 3.489 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000792200215 1309142580 /nfs/dbraw/zinc/14/25/80/1309142580.db2.gz XUWLAGQBRSAMOH-SFHVURJKSA-N 1 0 330.472 3.450 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCN2CCCCC2)c(C(F)(F)F)c1 ZINC000793044492 1309285864 /nfs/dbraw/zinc/28/58/64/1309285864.db2.gz ZAPSYOLLUVKXLX-UHFFFAOYSA-N 1 0 329.410 3.347 20 10 EGCDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075422 1309292013 /nfs/dbraw/zinc/29/20/13/1309292013.db2.gz CTICHNJOHBRYGB-VXGBXAGGSA-N 1 0 346.393 3.449 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000793206085 1309317852 /nfs/dbraw/zinc/31/78/52/1309317852.db2.gz AHIOCQIREOMQDE-UHFFFAOYSA-N 1 0 345.873 3.191 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c(O)c1OC ZINC000895435924 1309335581 /nfs/dbraw/zinc/33/55/81/1309335581.db2.gz LLTWDUWQAZJJND-QGZVFWFLSA-N 1 0 342.439 3.120 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1O ZINC000895446799 1309340837 /nfs/dbraw/zinc/34/08/37/1309340837.db2.gz FEFKXRDOXMABIT-NSHDSACASA-N 1 0 328.368 3.407 20 10 EGCDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000793598732 1309412925 /nfs/dbraw/zinc/41/29/25/1309412925.db2.gz CILYCHXMXQZNLZ-NSHDSACASA-N 1 0 328.840 3.439 20 10 EGCDRO CCc1nc(C)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000794410742 1309521646 /nfs/dbraw/zinc/52/16/46/1309521646.db2.gz FVBSNWZGQNULMC-MRXNPFEDSA-N 1 0 330.428 3.432 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCc3ccccc32)c1 ZINC000794562199 1309546148 /nfs/dbraw/zinc/54/61/48/1309546148.db2.gz MTEOMQMAYLXPKK-AWEZNQCLSA-N 1 0 340.423 3.031 20 10 EGCDRO Cc1c[nH+]ccc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000795100525 1309669361 /nfs/dbraw/zinc/66/93/61/1309669361.db2.gz DOIMACIXRKQKKF-AWEZNQCLSA-N 1 0 333.382 3.494 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1C(C)C ZINC000795688520 1309809237 /nfs/dbraw/zinc/80/92/37/1309809237.db2.gz FZJKNWNOGMRXLW-AEFFLSMTSA-N 1 0 332.488 3.119 20 10 EGCDRO Cn1cc(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000796270380 1309949506 /nfs/dbraw/zinc/94/95/06/1309949506.db2.gz FHDNGSWLZVUEGP-UHFFFAOYSA-N 1 0 346.478 3.315 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000796467540 1310008200 /nfs/dbraw/zinc/00/82/00/1310008200.db2.gz UXZCYZHLPSGLQN-UHFFFAOYSA-N 1 0 327.424 3.080 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1F ZINC000796527419 1310020465 /nfs/dbraw/zinc/02/04/65/1310020465.db2.gz YIJRADSUNMPQKT-QHCPKHFHSA-N 1 0 334.460 3.060 20 10 EGCDRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000896948401 1310101614 /nfs/dbraw/zinc/10/16/14/1310101614.db2.gz NWQAQWGCVOLWMY-INIZCTEOSA-N 1 0 340.423 3.252 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000797042381 1310131224 /nfs/dbraw/zinc/13/12/24/1310131224.db2.gz IAIGQEXBYCEJSZ-FUHWJXTLSA-N 1 0 344.503 3.083 20 10 EGCDRO O=C1NCCC2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)O1 ZINC000897018763 1310139138 /nfs/dbraw/zinc/13/91/38/1310139138.db2.gz MNZYRZPAPCXSBE-UHFFFAOYSA-N 1 0 343.471 3.141 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)N(C)C)cc1 ZINC000898452075 1310741759 /nfs/dbraw/zinc/74/17/59/1310741759.db2.gz UNXMHAGDKOPESU-IBGZPJMESA-N 1 0 343.519 3.097 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2[nH]nc3ccccc32)N(C)C)cc1 ZINC000898452021 1310742174 /nfs/dbraw/zinc/74/21/74/1310742174.db2.gz SGCGEDMAEQKBGW-FQEVSTJZSA-N 1 0 337.471 3.021 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)[C@H](OC)C2CC2)c1O ZINC000825099234 1320309958 /nfs/dbraw/zinc/30/99/58/1320309958.db2.gz VVIDNOIPKUFUTC-PSLIRLAXSA-N 1 0 344.249 3.066 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1O ZINC000825343766 1320330754 /nfs/dbraw/zinc/33/07/54/1320330754.db2.gz PVNMUFKVANBRGX-OAHLLOKOSA-N 1 0 336.229 3.286 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2(CO)CCSCC2)cc1F ZINC000839176325 1320886366 /nfs/dbraw/zinc/88/63/66/1320886366.db2.gz ICRVMCCZXFMOSW-UHFFFAOYSA-N 1 0 326.481 3.020 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000802193146 1316986405 /nfs/dbraw/zinc/98/64/05/1316986405.db2.gz NXFNXGBOHMGALI-RDJZCZTQSA-N 1 0 333.476 3.187 20 10 EGCDRO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cccc(C)c1O ZINC000802653522 1317022745 /nfs/dbraw/zinc/02/27/45/1317022745.db2.gz VUXLWAGJDILZTQ-UHFFFAOYSA-N 1 0 332.469 3.209 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)cc1F ZINC000858104788 1328683913 /nfs/dbraw/zinc/68/39/13/1328683913.db2.gz XPFIFUIXWMPIKP-QGZVFWFLSA-N 1 0 336.430 3.432 20 10 EGCDRO CCn1nc(C)c(C[NH2+]Cc2c(O)cccc2Br)c1C ZINC000858124559 1328689874 /nfs/dbraw/zinc/68/98/74/1328689874.db2.gz MCAOOJSAFBOUQZ-UHFFFAOYSA-N 1 0 338.249 3.278 20 10 EGCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000858134824 1328691739 /nfs/dbraw/zinc/69/17/39/1328691739.db2.gz WGSKYORASCKGHH-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO CC[C@H](C)C[NH+]1CC(N(CC)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000957442865 1317364715 /nfs/dbraw/zinc/36/47/15/1317364715.db2.gz JUJWRVWSCJCKFU-ZDUSSCGKSA-N 1 0 345.447 3.041 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2c(O)cccc2Br)[C@H]2CCCO[C@@H]21 ZINC000858146093 1328695537 /nfs/dbraw/zinc/69/55/37/1328695537.db2.gz OUPNBBNLFWECME-KMUNFCNLSA-N 1 0 340.261 3.448 20 10 EGCDRO C[C@H](CCO)C1(C[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000858156439 1328698289 /nfs/dbraw/zinc/69/82/89/1328698289.db2.gz WCKKTEMNRPHDGA-GFCCVEGCSA-N 1 0 342.277 3.433 20 10 EGCDRO Clc1ccc2c(n1)CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000806132952 1317463608 /nfs/dbraw/zinc/46/36/08/1317463608.db2.gz DJCDYVJNXYXNMC-QGZVFWFLSA-N 1 0 343.858 3.349 20 10 EGCDRO CN(C)c1cc(F)c(CN[C@H](CCO)c2ccccc2F)cc1F ZINC000858182513 1328705578 /nfs/dbraw/zinc/70/55/78/1328705578.db2.gz WNQSDHRZOZLSKT-QGZVFWFLSA-N 1 0 338.373 3.383 20 10 EGCDRO O=C(C1=CC(=O)CS1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807693977 1317578336 /nfs/dbraw/zinc/57/83/36/1317578336.db2.gz XVAQFYPPXOCLGU-IBGZPJMESA-N 1 0 342.464 3.192 20 10 EGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)n1 ZINC000902585247 1317596782 /nfs/dbraw/zinc/59/67/82/1317596782.db2.gz QEYLJOKFMXDIJQ-OAHLLOKOSA-N 1 0 341.455 3.417 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cncc(F)c1 ZINC000902722952 1317608638 /nfs/dbraw/zinc/60/86/38/1317608638.db2.gz FGOIPMLEBNONJZ-AUUYWEPGSA-N 1 0 330.451 3.240 20 10 EGCDRO Cc1ccccc1-n1cc(C[NH2+]CCCSc2nccs2)nn1 ZINC000808388128 1317669629 /nfs/dbraw/zinc/66/96/29/1317669629.db2.gz BDHBNOIXMRLPLM-UHFFFAOYSA-N 1 0 345.497 3.304 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1F ZINC000808452790 1317680582 /nfs/dbraw/zinc/68/05/82/1317680582.db2.gz QPJRSYIJRPHRCT-XLIONFOSSA-N 1 0 344.430 3.256 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CC=CCC3)C2)cc1C ZINC001020474110 1317710950 /nfs/dbraw/zinc/71/09/50/1317710950.db2.gz OOEXANWPNQSPNI-WDSOQIARSA-N 1 0 342.483 3.487 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CC=CCC3)C2)cc1C ZINC001020474109 1317711635 /nfs/dbraw/zinc/71/16/35/1317711635.db2.gz OOEXANWPNQSPNI-BHIYHBOVSA-N 1 0 342.483 3.487 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)c1O ZINC000808682292 1317715810 /nfs/dbraw/zinc/71/58/10/1317715810.db2.gz QJYADVSDRHFVMP-GFCCVEGCSA-N 1 0 333.819 3.428 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)ccc1OC ZINC000858230915 1328717448 /nfs/dbraw/zinc/71/74/48/1328717448.db2.gz HATZHVPTTRRHFY-INIZCTEOSA-N 1 0 342.430 3.051 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@H](C)c4c3c(O)ccc4F)[C@H]2C1 ZINC000808722234 1317723513 /nfs/dbraw/zinc/72/35/13/1317723513.db2.gz BKWXQXXMNIYWAH-OHYFQZGNSA-N 1 0 346.446 3.316 20 10 EGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000809236686 1317790866 /nfs/dbraw/zinc/79/08/66/1317790866.db2.gz SYETZKIANHQMGI-HNNXBMFYSA-N 1 0 342.487 3.339 20 10 EGCDRO COc1cc(Cl)cc(CNc2c[nH+]ccc2-n2cccn2)c1O ZINC000809632522 1317851654 /nfs/dbraw/zinc/85/16/54/1317851654.db2.gz SHVFJDWHPSAAEV-UHFFFAOYSA-N 1 0 330.775 3.247 20 10 EGCDRO CCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000809688832 1317862754 /nfs/dbraw/zinc/86/27/54/1317862754.db2.gz PWCRMZJYCOWXFC-UHFFFAOYSA-N 1 0 330.384 3.374 20 10 EGCDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000809707669 1317869984 /nfs/dbraw/zinc/86/99/84/1317869984.db2.gz LCEYTEIYNMWFCF-UHFFFAOYSA-N 1 0 348.462 3.053 20 10 EGCDRO [NH3+]Cc1ccccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000904653634 1317876181 /nfs/dbraw/zinc/87/61/81/1317876181.db2.gz IDJPHQDWHSYFBM-UHFFFAOYSA-N 1 0 325.412 3.051 20 10 EGCDRO COc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000809732517 1317881369 /nfs/dbraw/zinc/88/13/69/1317881369.db2.gz MPVGEGDGMHXUAE-UHFFFAOYSA-N 1 0 332.419 3.104 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)c1O ZINC000809739962 1317886295 /nfs/dbraw/zinc/88/62/95/1317886295.db2.gz IKAYDBWKLKOXCT-UHFFFAOYSA-N 1 0 329.425 3.153 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000809748916 1317890662 /nfs/dbraw/zinc/89/06/62/1317890662.db2.gz GHDCTGJWALNXEK-HNNXBMFYSA-N 1 0 335.444 3.345 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(C)C)C2)cc1C ZINC001020849029 1317953201 /nfs/dbraw/zinc/95/32/01/1317953201.db2.gz PSSPHZVDGCSVFU-XSLAGTTESA-N 1 0 330.472 3.033 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(C(F)(F)F)cc1O ZINC000810208305 1317976489 /nfs/dbraw/zinc/97/64/89/1317976489.db2.gz AQFRFLQFIWSMLB-QWHCGFSZSA-N 1 0 330.350 3.120 20 10 EGCDRO CC[C@@H]([NH2+]Cc1nncn1CC)c1ccc(C(F)(F)F)cc1O ZINC000810210036 1317976690 /nfs/dbraw/zinc/97/66/90/1317976690.db2.gz ZDXMNJPXXLYWKV-GFCCVEGCSA-N 1 0 328.338 3.263 20 10 EGCDRO CCCNC(=O)CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810211807 1317977360 /nfs/dbraw/zinc/97/73/60/1317977360.db2.gz WOMGBXWFVZIAPY-ZDUSSCGKSA-N 1 0 332.366 3.368 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(C(F)(F)F)cc1O ZINC000810221166 1317978305 /nfs/dbraw/zinc/97/83/05/1317978305.db2.gz LXXLCASUBJCYAK-QWHCGFSZSA-N 1 0 330.350 3.073 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)CCOC)c1ccc(C(F)(F)F)cc1O ZINC000810219273 1317978569 /nfs/dbraw/zinc/97/85/69/1317978569.db2.gz PGJZQVRGZXERLD-HIFRSBDPSA-N 1 0 335.366 3.239 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC34CCCC4)C2)cc1C ZINC001020881900 1317982607 /nfs/dbraw/zinc/98/26/07/1317982607.db2.gz FPIICGYUCIGMQJ-KZNAEPCWSA-N 1 0 342.483 3.321 20 10 EGCDRO Cc1ccc2c(c1)/C(=C\c1ccc(N3CC[NH+](C)CC3)cc1)C(=O)N2C ZINC000811700174 1318230848 /nfs/dbraw/zinc/23/08/48/1318230848.db2.gz HMDXFLWSDJYSDL-HMMYKYKNSA-N 1 0 347.462 3.264 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000812739878 1318446361 /nfs/dbraw/zinc/44/63/61/1318446361.db2.gz HAXBFCFRABFQRB-UONOGXRCSA-N 1 0 328.387 3.296 20 10 EGCDRO CN(C)c1ncc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1C ZINC000813334740 1318536134 /nfs/dbraw/zinc/53/61/34/1318536134.db2.gz XBTKNVCBCXUBRI-UHFFFAOYSA-N 1 0 341.503 3.108 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2CC(F)F)c2c1c(F)ccc2O ZINC000858478889 1328774818 /nfs/dbraw/zinc/77/48/18/1328774818.db2.gz DDVLYSRKUZEQLO-NTZNESFSSA-N 1 0 328.378 3.399 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000813883711 1318650176 /nfs/dbraw/zinc/65/01/76/1318650176.db2.gz WAOMDIHLHOICMZ-OAHLLOKOSA-N 1 0 335.451 3.455 20 10 EGCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000814300673 1318718981 /nfs/dbraw/zinc/71/89/81/1318718981.db2.gz LITKPPJYKYTXMJ-KRWDZBQOSA-N 1 0 331.504 3.319 20 10 EGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858542586 1328791779 /nfs/dbraw/zinc/79/17/79/1328791779.db2.gz MJDUYFOUMRZSPX-CQSZACIVSA-N 1 0 334.485 3.007 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)C3CCC3)C2)cc1C ZINC001022266687 1318863849 /nfs/dbraw/zinc/86/38/49/1318863849.db2.gz NIFPMKRKLWFEGG-OLMNPRSZSA-N 1 0 330.472 3.177 20 10 EGCDRO CS[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000815092550 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327.424 3.362 20 10 EGCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CO)CC2)ccc1N1CCCCC1 ZINC000816665683 1319204640 /nfs/dbraw/zinc/20/46/40/1319204640.db2.gz QNUGIBWHJBXTQG-MRXNPFEDSA-N 1 0 347.459 3.180 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)nc(C)c3)CC2)cc1 ZINC000817411176 1319351329 /nfs/dbraw/zinc/35/13/29/1319351329.db2.gz ODMHLLZRXQYVTH-UHFFFAOYSA-N 1 0 325.456 3.466 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c1O ZINC000817413362 1319352692 /nfs/dbraw/zinc/35/26/92/1319352692.db2.gz XAMSIQSOCWKWRO-ZFWWWQNUSA-N 1 0 335.444 3.343 20 10 EGCDRO COc1ccc(O)c(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)c1 ZINC000817415607 1319354659 /nfs/dbraw/zinc/35/46/59/1319354659.db2.gz ZZEMRDSYGRINBL-DZGCQCFKSA-N 1 0 335.444 3.201 20 10 EGCDRO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940278 1319468281 /nfs/dbraw/zinc/46/82/81/1319468281.db2.gz FIQGCHWUOOUOLX-OXQOHEQNSA-N 1 0 326.488 3.148 20 10 EGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1nc2c(s1)CCCC2 ZINC000817939516 1319468407 /nfs/dbraw/zinc/46/84/07/1319468407.db2.gz BZQDZBGWKLFSIG-XJKSGUPXSA-N 1 0 344.528 3.439 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817942228 1319469504 /nfs/dbraw/zinc/46/95/04/1319469504.db2.gz NAWKIKPMINZRSA-RTBURBONSA-N 1 0 328.435 3.027 20 10 EGCDRO CC[NH2+]CCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817944018 1319471780 /nfs/dbraw/zinc/47/17/80/1319471780.db2.gz WAMURFOHEPAJHG-SECBINFHSA-N 1 0 335.673 3.458 20 10 EGCDRO CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817954599 1319475472 /nfs/dbraw/zinc/47/54/72/1319475472.db2.gz ZQNAGSVTXLNHTG-SNVBAGLBSA-N 1 0 333.245 3.333 20 10 EGCDRO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817956740 1319476271 /nfs/dbraw/zinc/47/62/71/1319476271.db2.gz BOQSGNRMEUWAEP-HXUWFJFHSA-N 1 0 335.455 3.132 20 10 EGCDRO COC[C@]1(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)CCC[NH2+]1 ZINC000817975934 1319483600 /nfs/dbraw/zinc/48/36/00/1319483600.db2.gz ZZHMBZSTGMIENO-GHTZIAJQSA-N 1 0 345.531 3.486 20 10 EGCDRO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)c(F)cc1[O-] ZINC000817980618 1319483692 /nfs/dbraw/zinc/48/36/92/1319483692.db2.gz LVOVGADQAUHTLE-MNOVXSKESA-N 1 0 345.256 3.477 20 10 EGCDRO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)c(F)cc1[O-] ZINC000817980624 1319484068 /nfs/dbraw/zinc/48/40/68/1319484068.db2.gz LVOVGADQAUHTLE-WDEREUQCSA-N 1 0 345.256 3.477 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000818221379 1319521626 /nfs/dbraw/zinc/52/16/26/1319521626.db2.gz LSZYJHHKGMIRJH-IRXDYDNUSA-N 1 0 330.472 3.213 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000818222640 1319522795 /nfs/dbraw/zinc/52/27/95/1319522795.db2.gz ZHJHLIHWHPDSRJ-HNNXBMFYSA-N 1 0 340.423 3.040 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000819377970 1319713517 /nfs/dbraw/zinc/71/35/17/1319713517.db2.gz XVNAYOQPTAOESM-QRWLVFNGSA-N 1 0 330.447 3.454 20 10 EGCDRO CCCN(CCC)C(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074019 1319748186 /nfs/dbraw/zinc/74/81/86/1319748186.db2.gz NEYKNILEBPYEIF-UHFFFAOYSA-N 1 0 331.504 3.366 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCC3(C)C)C2)cc1C ZINC000962204695 1319859614 /nfs/dbraw/zinc/85/96/14/1319859614.db2.gz SPWCYVIIMDCUDS-ABHNRTSZSA-N 1 0 344.499 3.424 20 10 EGCDRO CN(C)c1ccc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000918000606 1319903115 /nfs/dbraw/zinc/90/31/15/1319903115.db2.gz UYKBXUHGZSQSDL-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000918023182 1319907765 /nfs/dbraw/zinc/90/77/65/1319907765.db2.gz RATIULNOYWUSKM-HXUWFJFHSA-N 1 0 343.515 3.366 20 10 EGCDRO CCOC(=O)CN(Cc1cccc(COC)c1)Cc1ccccc1O ZINC000822512232 1320091268 /nfs/dbraw/zinc/09/12/68/1320091268.db2.gz YJEHPVPCUVMQEW-UHFFFAOYSA-N 1 0 343.423 3.104 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1O ZINC000823591412 1320189722 /nfs/dbraw/zinc/18/97/22/1320189722.db2.gz LAIHYHXTNMRFLG-IBGZPJMESA-N 1 0 331.387 3.073 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[C@H](C)O1 ZINC000823854999 1320212138 /nfs/dbraw/zinc/21/21/38/1320212138.db2.gz ASTLBQRHRBGCRG-OQUILHJVSA-N 1 0 338.879 3.166 20 10 EGCDRO CO[C@@]1(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCOC1 ZINC000824172026 1320235265 /nfs/dbraw/zinc/23/52/65/1320235265.db2.gz KBSCVZSACNQHRG-LJQANCHMSA-N 1 0 346.496 3.280 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000824590813 1320267423 /nfs/dbraw/zinc/26/74/23/1320267423.db2.gz QIMGBZXKYRRSGH-UHFFFAOYSA-N 1 0 325.767 3.362 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000824689928 1320277825 /nfs/dbraw/zinc/27/78/25/1320277825.db2.gz WUXFBVYAYBZEMH-AWEZNQCLSA-N 1 0 336.233 3.188 20 10 EGCDRO CO[C@@](C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000824780601 1320284579 /nfs/dbraw/zinc/28/45/79/1320284579.db2.gz VYTJRWQKPBLUGS-NRFANRHFSA-N 1 0 340.467 3.175 20 10 EGCDRO CCC1(CO)CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824849773 1320291892 /nfs/dbraw/zinc/29/18/92/1320291892.db2.gz HJDWAKUNILHQKU-UHFFFAOYSA-N 1 0 328.250 3.139 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000824948595 1320299686 /nfs/dbraw/zinc/29/96/86/1320299686.db2.gz RUWDDQDXPNVHCC-AEFFLSMTSA-N 1 0 328.412 3.196 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825130514 1320314071 /nfs/dbraw/zinc/31/40/71/1320314071.db2.gz BHZNZPGHYWYPCW-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C1(Cc3ccccc3)CCOCC1)OCO2 ZINC000825188927 1320317205 /nfs/dbraw/zinc/31/72/05/1320317205.db2.gz SYMRLSAUMADBOW-UHFFFAOYSA-N 1 0 341.407 3.002 20 10 EGCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825253310 1320321792 /nfs/dbraw/zinc/32/17/92/1320321792.db2.gz GXJCHECSLAVIFU-MRXNPFEDSA-N 1 0 336.229 3.286 20 10 EGCDRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000825916845 1320370843 /nfs/dbraw/zinc/37/08/43/1320370843.db2.gz VHHOQWHQNBPSFS-HNNXBMFYSA-N 1 0 345.439 3.147 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@@]3(C)CC3(Cl)Cl)CC2)cc1 ZINC000827309090 1320442799 /nfs/dbraw/zinc/44/27/99/1320442799.db2.gz ADQIPWVNJPAVTL-OAHLLOKOSA-N 1 0 329.271 3.401 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000838804159 1320820300 /nfs/dbraw/zinc/82/03/00/1320820300.db2.gz VNVNMSGYKJQKLN-UHFFFAOYSA-N 1 0 338.455 3.075 20 10 EGCDRO CCOc1cccc(CNc2ccc(OCC[NH+](C)C)c(F)c2)c1O ZINC000839189286 1320890365 /nfs/dbraw/zinc/89/03/65/1320890365.db2.gz QGOFJVYWWSFJMI-UHFFFAOYSA-N 1 0 348.418 3.483 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000840810332 1321153866 /nfs/dbraw/zinc/15/38/66/1321153866.db2.gz RLLWVEJTMKTEAF-NIKGAXFTSA-N 1 0 348.462 3.271 20 10 EGCDRO CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000840931333 1321179764 /nfs/dbraw/zinc/17/97/64/1321179764.db2.gz RTZKFIXXKXZFQL-UHFFFAOYSA-N 1 0 339.483 3.491 20 10 EGCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840936181 1321180914 /nfs/dbraw/zinc/18/09/14/1321180914.db2.gz GJJVIWFYJFVOAV-QGZVFWFLSA-N 1 0 332.488 3.472 20 10 EGCDRO COc1cc(OCC[NH+](C)C)ccc1NCc1ccc(N(C)C)cc1 ZINC000840957779 1321186234 /nfs/dbraw/zinc/18/62/34/1321186234.db2.gz FBIBZXULABKZRD-UHFFFAOYSA-N 1 0 343.471 3.314 20 10 EGCDRO COc1cc(OCC[NH+](C)C)ccc1NCc1cc(C)ccc1O ZINC000840959734 1321187209 /nfs/dbraw/zinc/18/72/09/1321187209.db2.gz YUCOCUJYEOZPKN-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000840964853 1321189402 /nfs/dbraw/zinc/18/94/02/1321189402.db2.gz WDUXAYKBAZJDOF-DCAQKATOSA-N 1 0 344.249 3.066 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@H](N)c2ccc(C(C)C)cc2)cc1OC ZINC000841036206 1321205991 /nfs/dbraw/zinc/20/59/91/1321205991.db2.gz LEYFSJLEOQKJDV-KRWDZBQOSA-N 1 0 344.455 3.322 20 10 EGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000841083204 1321216204 /nfs/dbraw/zinc/21/62/04/1321216204.db2.gz PRHWPZLTKUECHQ-OAHLLOKOSA-N 1 0 328.412 3.375 20 10 EGCDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000841300675 1321249824 /nfs/dbraw/zinc/24/98/24/1321249824.db2.gz ZLNAYISDVPIRLS-KBXCAEBGSA-N 1 0 326.444 3.390 20 10 EGCDRO CC[C@H](CNC(=O)Nc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000841302531 1321250515 /nfs/dbraw/zinc/25/05/15/1321250515.db2.gz YVLIJCITWPPGLN-LJQANCHMSA-N 1 0 338.455 3.227 20 10 EGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841306180 1321251619 /nfs/dbraw/zinc/25/16/19/1321251619.db2.gz HNNIPVFLBQUACP-UHFFFAOYSA-N 1 0 348.450 3.030 20 10 EGCDRO CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743416 1321304653 /nfs/dbraw/zinc/30/46/53/1321304653.db2.gz GDURXGHFQUEDIY-HIFRSBDPSA-N 1 0 326.868 3.053 20 10 EGCDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(Cl)cc1O ZINC000841745023 1321305109 /nfs/dbraw/zinc/30/51/09/1321305109.db2.gz TVWBEUIDYWZKIC-LBPRGKRZSA-N 1 0 334.851 3.257 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841745011 1321305281 /nfs/dbraw/zinc/30/52/81/1321305281.db2.gz MJLUGFQMNRKCIC-BXUZGUMPSA-N 1 0 339.794 3.275 20 10 EGCDRO CN(c1ccc(CNC(=O)NC2CC[NH2+]CC2)cc1)C1CCCCC1 ZINC000841757911 1321307792 /nfs/dbraw/zinc/30/77/92/1321307792.db2.gz ICNWOLNSHSRKCT-UHFFFAOYSA-N 1 0 344.503 3.007 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(N(C)C)CC2)c1O ZINC000841762736 1321308032 /nfs/dbraw/zinc/30/80/32/1321308032.db2.gz KOHRFAQCMNCTJD-LLVKDONJSA-N 1 0 327.266 3.208 20 10 EGCDRO CN(C)c1ccc(CN(C(=O)NCC2([NH3+])CCCCC2)C2CC2)cc1 ZINC000841922454 1321329926 /nfs/dbraw/zinc/32/99/26/1321329926.db2.gz JCZMBCGYEOCPBQ-UHFFFAOYSA-N 1 0 344.503 3.088 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000841953287 1321331621 /nfs/dbraw/zinc/33/16/21/1321331621.db2.gz GIBNZNNVUVIMHH-QGZVFWFLSA-N 1 0 334.508 3.048 20 10 EGCDRO CCC([NH3+])(CC)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841952776 1321331708 /nfs/dbraw/zinc/33/17/08/1321331708.db2.gz ZGWMZAQXVNTBPA-UHFFFAOYSA-N 1 0 346.519 3.336 20 10 EGCDRO O=C(NCC1=CC[NH2+]CC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841973081 1321332894 /nfs/dbraw/zinc/33/28/94/1321332894.db2.gz LJVSNIWEFWWHDF-UHFFFAOYSA-N 1 0 343.471 3.156 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841981708 1321333718 /nfs/dbraw/zinc/33/37/18/1321333718.db2.gz GWGSUZBQOAEPRN-ZWKOTPCHSA-N 1 0 344.503 3.088 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000842686248 1321418990 /nfs/dbraw/zinc/41/89/90/1321418990.db2.gz LIQNRZMIFBJMNO-MCIONIFRSA-N 1 0 326.387 3.024 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccnn3CC(C)C)C2)cc1 ZINC000842714839 1321423351 /nfs/dbraw/zinc/42/33/51/1321423351.db2.gz YNZFGUCCBFLNPU-QGZVFWFLSA-N 1 0 342.487 3.164 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)C(=O)NCc2cccs2)c1 ZINC000842750731 1321427581 /nfs/dbraw/zinc/42/75/81/1321427581.db2.gz XAGIYEKZOVDGTK-INIZCTEOSA-N 1 0 348.468 3.037 20 10 EGCDRO Cc1cc(Br)cc(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1O ZINC000843044646 1321460398 /nfs/dbraw/zinc/46/03/98/1321460398.db2.gz DLGQGIAQDYZDMF-RISCZKNCSA-N 1 0 327.266 3.165 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000843048623 1321461381 /nfs/dbraw/zinc/46/13/81/1321461381.db2.gz LQBANEXDIXUORD-LLVKDONJSA-N 1 0 327.266 3.022 20 10 EGCDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053202 1321461683 /nfs/dbraw/zinc/46/16/83/1321461683.db2.gz YZWJULSYCOSYFW-STQMWFEESA-N 1 0 329.410 3.331 20 10 EGCDRO Cc1nn(-c2ccccn2)c(C)c1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058424 1321464309 /nfs/dbraw/zinc/46/43/09/1321464309.db2.gz SLPKUJWZXOFBAX-UHFFFAOYSA-N 1 0 347.466 3.296 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000843059511 1321464328 /nfs/dbraw/zinc/46/43/28/1321464328.db2.gz NOMSNVMKQIREFR-NJZAAPMLSA-N 1 0 339.277 3.022 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000843119312 1321473465 /nfs/dbraw/zinc/47/34/65/1321473465.db2.gz XUJQMERAZQMWSU-MRXNPFEDSA-N 1 0 339.277 3.039 20 10 EGCDRO C[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000843346678 1321502652 /nfs/dbraw/zinc/50/26/52/1321502652.db2.gz GFGQXQCIMIXGAC-OAHLLOKOSA-N 1 0 337.427 3.334 20 10 EGCDRO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349485 1321503462 /nfs/dbraw/zinc/50/34/62/1321503462.db2.gz BCUWJCXTRGNAQJ-HZPDHXFCSA-N 1 0 349.478 3.264 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1O ZINC000843417432 1321514510 /nfs/dbraw/zinc/51/45/10/1321514510.db2.gz UFCQLZLKKHLLDK-DOMZBBRYSA-N 1 0 325.836 3.445 20 10 EGCDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000843415526 1321514614 /nfs/dbraw/zinc/51/46/14/1321514614.db2.gz CHHFZYCRAMVBRQ-NEPJUHHUSA-N 1 0 326.412 3.313 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CCO)c2ccccc2F)c1O ZINC000843430461 1321517158 /nfs/dbraw/zinc/51/71/58/1321517158.db2.gz VYIDBWDTQFGOSS-HNNXBMFYSA-N 1 0 339.794 3.407 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000843486404 1321522540 /nfs/dbraw/zinc/52/25/40/1321522540.db2.gz SSXXBGQXSNHAMX-SJORKVTESA-N 1 0 338.451 3.482 20 10 EGCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@H](C)[NH3+])cc1 ZINC000844165975 1321575166 /nfs/dbraw/zinc/57/51/66/1321575166.db2.gz TZRNPYMIIVRFDR-HNNXBMFYSA-N 1 0 341.455 3.032 20 10 EGCDRO CC(C)[NH+](CCCNC(=O)NCc1cc(Cl)ccc1O)C(C)C ZINC000845020581 1321668783 /nfs/dbraw/zinc/66/87/83/1321668783.db2.gz UPUZUFXWBSTLMD-UHFFFAOYSA-N 1 0 341.883 3.354 20 10 EGCDRO CC(C)O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000846013580 1321762400 /nfs/dbraw/zinc/76/24/00/1321762400.db2.gz CRUGWJXMYIVKJB-KRWDZBQOSA-N 1 0 336.451 3.052 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)CCCc2cnccc2C)cc1 ZINC000846051004 1321764337 /nfs/dbraw/zinc/76/43/37/1321764337.db2.gz AKVZMFVNILCCRF-UHFFFAOYSA-N 1 0 327.472 3.399 20 10 EGCDRO CCn1nc(C)c(C[N@H+](C)CCN(C)c2ccc(OC)cc2)c1C ZINC000846053712 1321764877 /nfs/dbraw/zinc/76/48/77/1321764877.db2.gz WVPMBIWGDQFGML-UHFFFAOYSA-N 1 0 330.476 3.097 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c1O ZINC000846135955 1321770062 /nfs/dbraw/zinc/77/00/62/1321770062.db2.gz DOJQABSXZLPUBN-DYVFJYSZSA-N 1 0 332.419 3.493 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1O ZINC000846137665 1321770372 /nfs/dbraw/zinc/77/03/72/1321770372.db2.gz FMDFEZKJHYUUJM-AWEZNQCLSA-N 1 0 327.428 3.247 20 10 EGCDRO COCCOCc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846170587 1321773771 /nfs/dbraw/zinc/77/37/71/1321773771.db2.gz PBAWQIIXKKDBOC-HNNXBMFYSA-N 1 0 345.439 3.415 20 10 EGCDRO CC[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)NC(=O)OC(C)(C)C ZINC000846171358 1321773864 /nfs/dbraw/zinc/77/38/64/1321773864.db2.gz RXQKPZSYNDMOOV-QWHCGFSZSA-N 1 0 338.448 3.355 20 10 EGCDRO O=C1CCCN1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000846204683 1321775587 /nfs/dbraw/zinc/77/55/87/1321775587.db2.gz ARMSIDAYJJNMOP-LJQANCHMSA-N 1 0 338.451 3.278 20 10 EGCDRO CCc1cccc(CNc2ccc(CC[NH+]3CCOCC3)cc2)c1O ZINC000848892044 1322031276 /nfs/dbraw/zinc/03/12/76/1322031276.db2.gz JBBCCYWJTSBGBC-UHFFFAOYSA-N 1 0 340.467 3.441 20 10 EGCDRO CCc1cccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c1O ZINC000848895787 1322035932 /nfs/dbraw/zinc/03/59/32/1322035932.db2.gz YCMJOYGGNDKEFQ-UHFFFAOYSA-N 1 0 325.456 3.104 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](CC)CS(=O)(=O)c2ccccc2)c1O ZINC000848899969 1322037769 /nfs/dbraw/zinc/03/77/69/1322037769.db2.gz VYTCZQIQHMTQOO-QGZVFWFLSA-N 1 0 347.480 3.297 20 10 EGCDRO CCc1cccc(C[N@H+](C)CCn2cc(Br)cn2)c1O ZINC000848913237 1322045064 /nfs/dbraw/zinc/04/50/64/1322045064.db2.gz RZDWOGDQONUDJJ-UHFFFAOYSA-N 1 0 338.249 3.046 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)ccc1N1CCOCC1 ZINC000848925428 1322047653 /nfs/dbraw/zinc/04/76/53/1322047653.db2.gz VQGBYKNNGXPXDW-GOSISDBHSA-N 1 0 348.462 3.196 20 10 EGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849349511 1322115731 /nfs/dbraw/zinc/11/57/31/1322115731.db2.gz BUENSHMYBGZOPD-ZDUSSCGKSA-N 1 0 326.843 3.396 20 10 EGCDRO COCc1csc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000850068614 1322189370 /nfs/dbraw/zinc/18/93/70/1322189370.db2.gz IGXNDCAWUZVOJM-UHFFFAOYSA-N 1 0 332.469 3.021 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850334658 1322230048 /nfs/dbraw/zinc/23/00/48/1322230048.db2.gz QQXOHVBKUYNCAR-MRXNPFEDSA-N 1 0 348.487 3.187 20 10 EGCDRO COc1cccc(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)c1O ZINC000850355083 1322231978 /nfs/dbraw/zinc/23/19/78/1322231978.db2.gz DDYOCOLMKWLJJJ-AWEZNQCLSA-N 1 0 333.350 3.381 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](COC)c2cccc(OC)c2)c1 ZINC000850362192 1322234382 /nfs/dbraw/zinc/23/43/82/1322234382.db2.gz JIITUNQQEFIUKS-SFHVURJKSA-N 1 0 331.412 3.277 20 10 EGCDRO c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850382664 1322235751 /nfs/dbraw/zinc/23/57/51/1322235751.db2.gz UFYVYBYJQHBUJD-LJQANCHMSA-N 1 0 343.515 3.020 20 10 EGCDRO C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc2ccccc2c1O ZINC000850558571 1322266856 /nfs/dbraw/zinc/26/68/56/1322266856.db2.gz ZZEKANRDFZBFDG-QAPCUYQASA-N 1 0 340.467 3.449 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000850580835 1322273086 /nfs/dbraw/zinc/27/30/86/1322273086.db2.gz RIJKSQKQUHWBNM-YMTOWFKASA-N 1 0 341.329 3.202 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1O ZINC000850580556 1322273420 /nfs/dbraw/zinc/27/34/20/1322273420.db2.gz OKVOGIDFUXVCCN-VXJOIVPMSA-N 1 0 329.293 3.333 20 10 EGCDRO CC(C)CC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921612876 1322363231 /nfs/dbraw/zinc/36/32/31/1322363231.db2.gz YDCBYURCVBMSPU-UHFFFAOYSA-N 1 0 330.472 3.138 20 10 EGCDRO COc1ccc(N2CCCN(CC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000851733573 1323076857 /nfs/dbraw/zinc/07/68/57/1323076857.db2.gz ZXFHUKSQQDVFDR-RTBURBONSA-N 1 0 345.531 3.185 20 10 EGCDRO CC(C)(C)n1nnc(CC[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000851768529 1323085415 /nfs/dbraw/zinc/08/54/15/1323085415.db2.gz BDBCHQVZUZREFA-UHFFFAOYSA-N 1 0 343.475 3.121 20 10 EGCDRO CC[C@@H]1COC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924906693 1323208294 /nfs/dbraw/zinc/20/82/94/1323208294.db2.gz NHTWEGFCBZQCET-DYVFJYSZSA-N 1 0 340.414 3.271 20 10 EGCDRO CC(C)[NH2+]CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000852882642 1323249880 /nfs/dbraw/zinc/24/98/80/1323249880.db2.gz NPZZGXQATRIYCV-INIZCTEOSA-N 1 0 326.440 3.480 20 10 EGCDRO CCn1nccc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000853093516 1323278795 /nfs/dbraw/zinc/27/87/95/1323278795.db2.gz GBBHNLQFCUXGBZ-UHFFFAOYSA-N 1 0 326.366 3.278 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C(C)(F)F)cc1C ZINC001024844946 1323740829 /nfs/dbraw/zinc/74/08/29/1323740829.db2.gz MFWXFHHZSQKEBN-OAHLLOKOSA-N 1 0 340.414 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)C3(C)CC3)CC2)cc1C ZINC001026499685 1324850877 /nfs/dbraw/zinc/85/08/77/1324850877.db2.gz SLUVSRJDMAEFDY-UHFFFAOYSA-N 1 0 330.472 3.321 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccsc3)C2)cc1C ZINC001026671517 1324965978 /nfs/dbraw/zinc/96/59/78/1324965978.db2.gz VFFKUHSDHJIOBQ-MRXNPFEDSA-N 1 0 344.480 3.317 20 10 EGCDRO CC(C)c1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)CC2 ZINC000853533596 1325116580 /nfs/dbraw/zinc/11/65/80/1325116580.db2.gz JVPIKILORSEHDY-HXUWFJFHSA-N 1 0 339.435 3.500 20 10 EGCDRO CCC(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001027031557 1325167059 /nfs/dbraw/zinc/16/70/59/1325167059.db2.gz OJWRWCNOJIPPMI-QGZVFWFLSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C)C(C)C)C2)cc1C ZINC001027101095 1325224325 /nfs/dbraw/zinc/22/43/25/1325224325.db2.gz KUWMKMHXSPWZOU-FUHWJXTLSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1O ZINC000926924516 1327779999 /nfs/dbraw/zinc/77/99/99/1327779999.db2.gz ZESNUISEOCAREU-NEPJUHHUSA-N 1 0 332.366 3.078 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000927000931 1327813399 /nfs/dbraw/zinc/81/33/99/1327813399.db2.gz NJHFJTURZOWXHO-STQMWFEESA-N 1 0 336.432 3.061 20 10 EGCDRO CCc1cccc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)c1O ZINC000862538407 1329493776 /nfs/dbraw/zinc/49/37/76/1329493776.db2.gz ROJWYKSRRVBCJP-SFHVURJKSA-N 1 0 325.408 3.227 20 10 EGCDRO CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000969158530 1336166454 /nfs/dbraw/zinc/16/64/54/1336166454.db2.gz NLOMKVHRRWPRBE-INIZCTEOSA-N 1 0 345.447 3.233 20 10 EGCDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001206317022 1371020178 /nfs/dbraw/zinc/02/01/78/1371020178.db2.gz BAKQOZBNFDDNBG-HNNXBMFYSA-N 1 0 345.256 3.245 20 10 EGCDRO CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001017267894 1338994353 /nfs/dbraw/zinc/99/43/53/1338994353.db2.gz UVXFXQOKJTVXCT-AWEZNQCLSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC=CC3)C[C@H]2C)cc1C ZINC001035970959 1343293548 /nfs/dbraw/zinc/29/35/48/1343293548.db2.gz DPCHFPMLYVLUGA-APWZRJJASA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)C3CC3)C2)cc1C ZINC001036349611 1343435139 /nfs/dbraw/zinc/43/51/39/1343435139.db2.gz KJSQBVBMBWWYQL-QAPCUYQASA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)C2CC2)cc1C ZINC001036482976 1343508570 /nfs/dbraw/zinc/50/85/70/1343508570.db2.gz CPBCYWZJHLITBK-KDOFPFPSSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C2CCC2)cc1C ZINC001036920306 1343864193 /nfs/dbraw/zinc/86/41/93/1343864193.db2.gz MWTZFXNWVVNBCU-ZWKOTPCHSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)c2ccoc2)cc1C ZINC001036945800 1343887283 /nfs/dbraw/zinc/88/72/83/1343887283.db2.gz CORQXLZMCRUQGX-FUHWJXTLSA-N 1 0 342.439 3.285 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C2(C)CC2)cc1C ZINC001037012203 1343928393 /nfs/dbraw/zinc/92/83/93/1343928393.db2.gz CKOBKLDLDRZBJW-DLBZAZTESA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C)C(C)C)cc1C ZINC001045224723 1346534366 /nfs/dbraw/zinc/53/43/66/1346534366.db2.gz OMSJUYIHLWSYSF-WMZOPIPTSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)/C=C/C3CC3)C2)cc1C ZINC001047776050 1347367559 /nfs/dbraw/zinc/36/75/59/1347367559.db2.gz WJXBRKGFPMSRKM-DDOBUIPCSA-N 1 0 342.483 3.296 20 10 EGCDRO CCN(CC[NH+]1CCCC1)Cc1cc(Br)cc(C)c1O ZINC001233110285 1376571321 /nfs/dbraw/zinc/57/13/21/1376571321.db2.gz JTKHCDKZAIVDSZ-UHFFFAOYSA-N 1 0 341.293 3.381 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCCCN(C(=O)C3CC3)C2)cc1C ZINC001088245739 1359815127 /nfs/dbraw/zinc/81/51/27/1359815127.db2.gz BNALSLBTKYJDEX-GOSISDBHSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[C@H](F)C3)C2)cc1C ZINC001086459714 1359104353 /nfs/dbraw/zinc/10/43/53/1359104353.db2.gz VYDQOOSCGQMFDJ-XSLAGTTESA-N 1 0 348.462 3.126 20 10 EGCDRO CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068343 1360158487 /nfs/dbraw/zinc/15/84/87/1360158487.db2.gz ZFJHSXDIMDGLET-CJNGLKHVSA-N 1 0 343.431 3.008 20 10 EGCDRO C/C=C(\C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001093702530 1361680500 /nfs/dbraw/zinc/68/05/00/1361680500.db2.gz COZMWKJOXWKQFL-JMCXHLQVSA-N 1 0 330.472 3.154 20 10 EGCDRO C=C/C(C)=C/CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001184991262 1387582863 /nfs/dbraw/zinc/58/28/63/1387582863.db2.gz GZZHAFGUDLFCNF-PRWGNSRSSA-N 1 0 328.456 3.217 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3(C)CCC3)C2)cc1C ZINC001100577433 1364171266 /nfs/dbraw/zinc/17/12/66/1364171266.db2.gz YULRJFTZJGTPAW-UHFFFAOYSA-N 1 0 330.472 3.178 20 10 EGCDRO C[C@H](C[NH+](C)C)NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279423 1368412959 /nfs/dbraw/zinc/41/29/59/1368412959.db2.gz OZEYGRUFXKSDRI-NOFRPNMFSA-N 1 0 326.400 3.488 20 10 EGCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](CC(C)C)C3)C2)cc1 ZINC001201470796 1369551893 /nfs/dbraw/zinc/55/18/93/1369551893.db2.gz MELZRVPDTFFDFV-HXUWFJFHSA-N 1 0 332.488 3.270 20 10 EGCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 ZINC001325695737 1388031869 /nfs/dbraw/zinc/03/18/69/1388031869.db2.gz KVVBSNCCJIBOPN-SFHVURJKSA-N 1 0 328.431 3.292 20 10 EGCDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3ccccc3O)C2)C1 ZINC001203551692 1370166552 /nfs/dbraw/zinc/16/65/52/1370166552.db2.gz KMAHCRRFMZQDCJ-CQSZACIVSA-N 1 0 332.444 3.081 20 10 EGCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1c1ccsc1 ZINC001203552575 1370167809 /nfs/dbraw/zinc/16/78/09/1370167809.db2.gz OLPMTZMXOGPIAB-SFHVURJKSA-N 1 0 328.437 3.083 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]2C1 ZINC001203555720 1370168413 /nfs/dbraw/zinc/16/84/13/1370168413.db2.gz DPSKSSSZBRLIDM-ZBFHGGJFSA-N 1 0 332.444 3.081 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2O)CCC1(F)F ZINC001203560540 1370169755 /nfs/dbraw/zinc/16/97/55/1370169755.db2.gz BVSACSYSWAAHKF-CQSZACIVSA-N 1 0 342.386 3.127 20 10 EGCDRO COc1cccc(C[N@@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)c1O ZINC001203596491 1370182624 /nfs/dbraw/zinc/18/26/24/1370182624.db2.gz DKUUTLLKGPEDSV-FQEVSTJZSA-N 1 0 327.424 3.457 20 10 EGCDRO COc1cccc(C[NH+](CCOC(C)C)CCOC(C)C)c1O ZINC001203595965 1370182724 /nfs/dbraw/zinc/18/27/24/1370182724.db2.gz UXQGWUFOAVVIDZ-UHFFFAOYSA-N 1 0 325.449 3.053 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1O ZINC001203614309 1370188243 /nfs/dbraw/zinc/18/82/43/1370188243.db2.gz VYRHGZBCJLMXEW-IBGZPJMESA-N 1 0 338.451 3.206 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c1O ZINC001203617142 1370189416 /nfs/dbraw/zinc/18/94/16/1370189416.db2.gz JJECKGFXMVJNGD-INIZCTEOSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c(O)c1 ZINC001203629838 1370192771 /nfs/dbraw/zinc/19/27/71/1370192771.db2.gz MPKIHVBRCVLKCU-UHFFFAOYSA-N 1 0 331.387 3.024 20 10 EGCDRO C[N@H+](C1CCOCC1)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203663619 1370207124 /nfs/dbraw/zinc/20/71/24/1370207124.db2.gz BUQXREADRMVMKC-UHFFFAOYSA-N 1 0 338.879 3.121 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)c1 ZINC001203681291 1370216163 /nfs/dbraw/zinc/21/61/63/1370216163.db2.gz UCAILRFJPPZENZ-KRWDZBQOSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)cc1OC ZINC001203879107 1370297371 /nfs/dbraw/zinc/29/73/71/1370297371.db2.gz LSYYFKJAVSYXFF-HNNXBMFYSA-N 1 0 329.396 3.452 20 10 EGCDRO C[N@H+](Cc1ccccc1F)C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203881367 1370298596 /nfs/dbraw/zinc/29/85/96/1370298596.db2.gz PKGZRTKYAZFXDG-UHFFFAOYSA-N 1 0 344.430 3.333 20 10 EGCDRO COc1ccc(CC[N@H+](C)Cc2ccc(N(C)C)cc2)cc1OC ZINC001203929938 1370318419 /nfs/dbraw/zinc/31/84/19/1370318419.db2.gz JPTZIVGSUQSYEB-UHFFFAOYSA-N 1 0 328.456 3.444 20 10 EGCDRO CN(C)c1ccc(CN2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001203931031 1370319146 /nfs/dbraw/zinc/31/91/46/1370319146.db2.gz LQEIEXUPPZVTHG-QZTJIDSGSA-N 1 0 345.487 3.336 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)cc1 ZINC001203930733 1370319326 /nfs/dbraw/zinc/31/93/26/1370319326.db2.gz GQPDPTKQLNYOGL-SJLPKXTDSA-N 1 0 345.487 3.194 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)cc1 ZINC001203943393 1370324286 /nfs/dbraw/zinc/32/42/86/1370324286.db2.gz YYVAIIWAMCEHFS-UHFFFAOYSA-N 1 0 325.456 3.234 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)c2ccccc21 ZINC001204241145 1370419086 /nfs/dbraw/zinc/41/90/86/1370419086.db2.gz WVPKGPMKJQJPMF-UHFFFAOYSA-N 1 0 337.467 3.150 20 10 EGCDRO C[C@@]1(c2ccc(Cl)cc2)C[N@H+](Cc2ccc(O)cc2O)CCO1 ZINC001204281154 1370430946 /nfs/dbraw/zinc/43/09/46/1370430946.db2.gz ROSXYXIHMPZQEP-SFHVURJKSA-N 1 0 333.815 3.499 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1O ZINC001204338316 1370447722 /nfs/dbraw/zinc/44/77/22/1370447722.db2.gz DLSWJIZEDZNEKI-KPXOXKRLSA-N 1 0 330.197 3.096 20 10 EGCDRO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc(O)c1O ZINC001204348772 1370449759 /nfs/dbraw/zinc/44/97/59/1370449759.db2.gz OXJLUMDNLBARRD-RYRKJORJSA-N 1 0 347.455 3.134 20 10 EGCDRO [O-]c1c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1C(F)(F)F ZINC001204741929 1370561776 /nfs/dbraw/zinc/56/17/76/1370561776.db2.gz FVRGASXZHYKUNE-UHFFFAOYSA-N 1 0 328.378 3.377 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)c2c1 ZINC001205580362 1370798374 /nfs/dbraw/zinc/79/83/74/1370798374.db2.gz SPOIOILFVBUZCX-LJQANCHMSA-N 1 0 332.419 3.207 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2c([O-])cc(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205638301 1370822767 /nfs/dbraw/zinc/82/27/67/1370822767.db2.gz MBMVVIJJOUQTRQ-MNOVXSKESA-N 1 0 345.256 3.101 20 10 EGCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(C)cc3)CC2)cc1 ZINC001116417664 1370907608 /nfs/dbraw/zinc/90/76/08/1370907608.db2.gz NYIVINZTTKZCLA-OAQYLSRUSA-N 1 0 340.467 3.249 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206024089 1370941397 /nfs/dbraw/zinc/94/13/97/1370941397.db2.gz HPTIKJNDIDJNLH-QWHCGFSZSA-N 1 0 341.293 3.270 20 10 EGCDRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001206230050 1370999418 /nfs/dbraw/zinc/99/94/18/1370999418.db2.gz XSMFGGDCNJFSJL-INIZCTEOSA-N 1 0 327.394 3.142 20 10 EGCDRO Cc1cc(CN2CCCC[C@@](F)(C[NH3+])C2)c(O)cc1Br ZINC001206380286 1371038855 /nfs/dbraw/zinc/03/88/55/1371038855.db2.gz PGPGWZHSXGIVHN-OAHLLOKOSA-N 1 0 345.256 3.116 20 10 EGCDRO COc1ccc(N2CC[NH+](CCc3ccccc3F)CC2)c(OC)c1 ZINC001207502648 1371417097 /nfs/dbraw/zinc/41/70/97/1371417097.db2.gz BCLBMRLXJLMNIB-UHFFFAOYSA-N 1 0 344.430 3.208 20 10 EGCDRO CCCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(OC)c(C)c1)C2 ZINC001120535266 1371602637 /nfs/dbraw/zinc/60/26/37/1371602637.db2.gz QGCGNYXVZHGPEZ-UHFFFAOYSA-N 1 0 330.472 3.321 20 10 EGCDRO CCOc1ccc(N2CCN(CC3(C[NH+](C)C)CCCC3)CC2)cc1 ZINC001208186914 1371627904 /nfs/dbraw/zinc/62/79/04/1371627904.db2.gz AKZLZHAIAXXNNL-UHFFFAOYSA-N 1 0 345.531 3.329 20 10 EGCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](CCC4CC4)C3)C2)cc1 ZINC001208681219 1371859891 /nfs/dbraw/zinc/85/98/91/1371859891.db2.gz QKFQKIFMJDLKRI-OAQYLSRUSA-N 1 0 344.499 3.414 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CCOCCOCc2ccccc2)cc1 ZINC001208750431 1371883375 /nfs/dbraw/zinc/88/33/75/1371883375.db2.gz MDNTVDOSMFZRQF-UHFFFAOYSA-N 1 0 342.483 3.418 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CC3CCC(OC)CC3)CC2)cc1 ZINC001209401094 1372093268 /nfs/dbraw/zinc/09/32/68/1372093268.db2.gz JTCMACDCEOGVSQ-UHFFFAOYSA-N 1 0 332.488 3.413 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC001209517449 1372127292 /nfs/dbraw/zinc/12/72/92/1372127292.db2.gz FTUPKKSMUQCCLJ-UHFFFAOYSA-N 1 0 347.466 3.206 20 10 EGCDRO CC[NH+](CC)CC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001123732762 1372571932 /nfs/dbraw/zinc/57/19/32/1372571932.db2.gz ACHLBJZUSCBWTR-INIZCTEOSA-N 1 0 334.508 3.014 20 10 EGCDRO O=C1c2ccccc2C(=O)c2c(OC3CC4(C3)CC[NH2+]CC4)cccc21 ZINC001218102837 1373561242 /nfs/dbraw/zinc/56/12/42/1373561242.db2.gz GNRSOIDYLBIMTD-UHFFFAOYSA-N 1 0 347.414 3.373 20 10 EGCDRO COc1ccc([C@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)c(F)c1 ZINC001218442628 1373613467 /nfs/dbraw/zinc/61/34/67/1373613467.db2.gz JEMUBJVEEBDJGC-AWEZNQCLSA-N 1 0 330.403 3.384 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC001326800981 1388315101 /nfs/dbraw/zinc/31/51/01/1388315101.db2.gz PSRQQBWQYOFWSQ-ZFWWWQNUSA-N 1 0 335.407 3.047 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@H](C)c4c3c(O)ccc4C)[C@@H]2C1 ZINC001327161732 1388414262 /nfs/dbraw/zinc/41/42/62/1388414262.db2.gz XIGSFMXTALKKKF-XEIOYGOASA-N 1 0 342.483 3.486 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(F)(F)F)cc1C ZINC001133854681 1376234635 /nfs/dbraw/zinc/23/46/35/1376234635.db2.gz ZJGITMGSMNCDPM-STQMWFEESA-N 1 0 346.393 3.329 20 10 EGCDRO COc1ccc(Br)c(C[N@H+]2CC[C@H](OC)C[C@H]2C)c1O ZINC001231556155 1376262783 /nfs/dbraw/zinc/26/27/83/1376262783.db2.gz YIZDKZYHTFQOOB-MNOVXSKESA-N 1 0 344.249 3.163 20 10 EGCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231845143 1376326115 /nfs/dbraw/zinc/32/61/15/1376326115.db2.gz WJPYXXKRAFNLNE-YLJYHZDGSA-N 1 0 333.472 3.417 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2ccn(C)c2)cc1C ZINC001134099773 1376366898 /nfs/dbraw/zinc/36/68/98/1376366898.db2.gz MKQZJUASYZBJJO-CVEARBPZSA-N 1 0 343.471 3.029 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ccccn3)CC2)cc1Cl ZINC001232268192 1376426940 /nfs/dbraw/zinc/42/69/40/1376426940.db2.gz MSUCYRFVLJIGEO-UHFFFAOYSA-N 1 0 334.803 3.190 20 10 EGCDRO COc1ncnc2c1CC[N@H+](Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233285480 1376604691 /nfs/dbraw/zinc/60/46/91/1376604691.db2.gz HNWCYLYPFGQPMF-UHFFFAOYSA-N 1 0 341.455 3.089 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c1O ZINC001233291097 1376605544 /nfs/dbraw/zinc/60/55/44/1376605544.db2.gz LXAXZXQMFDUAAT-MRXNPFEDSA-N 1 0 348.830 3.493 20 10 EGCDRO OCC[N@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1O ZINC001233451319 1376649448 /nfs/dbraw/zinc/64/94/48/1376649448.db2.gz GPPHKMVRTKZZRS-UHFFFAOYSA-N 1 0 325.330 3.406 20 10 EGCDRO OCC[C@@H]1CC12CC[NH+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233737108 1376705918 /nfs/dbraw/zinc/70/59/18/1376705918.db2.gz WCSHLONPYVGGGA-CYBMUJFWSA-N 1 0 345.361 3.275 20 10 EGCDRO CC(C)C[NH+]1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233736382 1376706136 /nfs/dbraw/zinc/70/61/36/1376706136.db2.gz JQUPCMJWBGGONR-UHFFFAOYSA-N 1 0 332.366 3.064 20 10 EGCDRO CCC[NH+]1C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233776426 1376714641 /nfs/dbraw/zinc/71/46/41/1376714641.db2.gz SAFBGAZWYSJXBB-KBPBESRZSA-N 1 0 344.377 3.064 20 10 EGCDRO C[NH+](C)CC[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1ccccc1 ZINC001233948772 1376742156 /nfs/dbraw/zinc/74/21/56/1376742156.db2.gz LGPKMBHJFHSAKX-SFHVURJKSA-N 1 0 339.395 3.113 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038188 1376837038 /nfs/dbraw/zinc/83/70/38/1376837038.db2.gz DNLYKESQHAIOJK-INIZCTEOSA-N 1 0 339.277 3.263 20 10 EGCDRO C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@H](C)[NH2+]1 ZINC001235902044 1376915745 /nfs/dbraw/zinc/91/57/45/1376915745.db2.gz AOSIGSLWCJSFRY-IYBDPMFKSA-N 1 0 326.440 3.153 20 10 EGCDRO CCCC[C@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)CC[NH2+]1 ZINC001236139907 1376935985 /nfs/dbraw/zinc/93/59/85/1376935985.db2.gz QDXLMKOLNLVRMM-SFHVURJKSA-N 1 0 343.515 3.055 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)Cc2cn(C)nc21 ZINC001237052623 1376971028 /nfs/dbraw/zinc/97/10/28/1376971028.db2.gz XGGTUMQPTUVISC-GOSISDBHSA-N 1 0 343.471 3.385 20 10 EGCDRO Oc1ccc(C(F)(F)F)cc1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001237141558 1376977175 /nfs/dbraw/zinc/97/71/75/1376977175.db2.gz YIVCSQVRBUZZDC-UHFFFAOYSA-N 1 0 332.341 3.029 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c(O)c(OC)c1 ZINC001237676880 1376982535 /nfs/dbraw/zinc/98/25/35/1376982535.db2.gz RXWKSRAHQKYHGU-QGZVFWFLSA-N 1 0 343.423 3.201 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)cc1Br ZINC001237676471 1376982781 /nfs/dbraw/zinc/98/27/81/1376982781.db2.gz IMOKBLHDPUNFLZ-NHYWBVRUSA-N 1 0 328.250 3.056 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c(OC)c1 ZINC001237676526 1376983615 /nfs/dbraw/zinc/98/36/15/1376983615.db2.gz PJVJVWNSRODALF-INIZCTEOSA-N 1 0 329.396 3.063 20 10 EGCDRO C[N@H+](Cc1c[nH]c2ncccc12)Cc1ccc(N2CCOCC2)cc1 ZINC001137402561 1377540817 /nfs/dbraw/zinc/54/08/17/1377540817.db2.gz ZDASRRJDDUBZCB-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO FC1(F)C[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCN2C1 ZINC001138220393 1377690800 /nfs/dbraw/zinc/69/08/00/1377690800.db2.gz ASANYYRLQUKRRL-SFHVURJKSA-N 1 0 335.442 3.202 20 10 EGCDRO Cc1c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c2ccccc2n1C ZINC001138256895 1377694906 /nfs/dbraw/zinc/69/49/06/1377694906.db2.gz OPJIUKSPRUCSDE-KRWDZBQOSA-N 1 0 339.483 3.321 20 10 EGCDRO Cc1c(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c2ccccc2n1C ZINC001138260168 1377695602 /nfs/dbraw/zinc/69/56/02/1377695602.db2.gz XKJROBHMEYKKRP-MRXNPFEDSA-N 1 0 336.439 3.320 20 10 EGCDRO CO[C@@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138340036 1377705285 /nfs/dbraw/zinc/70/52/85/1377705285.db2.gz PYRAOXVBHKYLTD-QGZVFWFLSA-N 1 0 330.472 3.092 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC001138388969 1377714045 /nfs/dbraw/zinc/71/40/45/1377714045.db2.gz CZNKSHQJGBMXMV-UHFFFAOYSA-N 1 0 333.520 3.458 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c(OC)c1 ZINC001138390392 1377714673 /nfs/dbraw/zinc/71/46/73/1377714673.db2.gz VIVIFESZJNYDNE-UHFFFAOYSA-N 1 0 349.494 3.160 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)ccc1N(C)C ZINC001139669755 1377930628 /nfs/dbraw/zinc/93/06/28/1377930628.db2.gz MADATONLPPBQEM-INIZCTEOSA-N 1 0 330.394 3.340 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)ccc1N(C)C ZINC001139670037 1377930657 /nfs/dbraw/zinc/93/06/57/1377930657.db2.gz WNKZCIZRPRUGCQ-GDBMZVCRSA-N 1 0 330.394 3.196 20 10 EGCDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139672733 1377930867 /nfs/dbraw/zinc/93/08/67/1377930867.db2.gz DIYFYNOSRITMIZ-UHFFFAOYSA-N 1 0 333.476 3.114 20 10 EGCDRO Cc1cc(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)ccc1N(C)C ZINC001139673161 1377931458 /nfs/dbraw/zinc/93/14/58/1377931458.db2.gz ANZCNIWFYKXPMO-UHFFFAOYSA-N 1 0 331.504 3.140 20 10 EGCDRO COC(=O)c1cccc2[nH]cc(C[N@@H+]3CCc4cccc(O)c4C3)c21 ZINC001139720939 1377941123 /nfs/dbraw/zinc/94/11/23/1377941123.db2.gz RPHLGZLQTNXFIM-UHFFFAOYSA-N 1 0 336.391 3.218 20 10 EGCDRO Oc1ccc(F)cc1C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001140053786 1377996649 /nfs/dbraw/zinc/99/66/49/1377996649.db2.gz DEJYUPOFYHLLFX-QGZVFWFLSA-N 1 0 335.419 3.081 20 10 EGCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140055792 1377996803 /nfs/dbraw/zinc/99/68/03/1377996803.db2.gz VGOGORMUKLHLKM-MRXNPFEDSA-N 1 0 337.435 3.187 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c1O ZINC001140178516 1378026454 /nfs/dbraw/zinc/02/64/54/1378026454.db2.gz NIHICBFXESRWEY-NVXWUHKLSA-N 1 0 346.471 3.450 20 10 EGCDRO Cc1cccc(C(=O)N2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)c1 ZINC001140182572 1378027262 /nfs/dbraw/zinc/02/72/62/1378027262.db2.gz VTTAJRANSVSNAW-UHFFFAOYSA-N 1 0 338.451 3.275 20 10 EGCDRO Cc1ccc(C)c(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1O ZINC001140181202 1378027359 /nfs/dbraw/zinc/02/73/59/1378027359.db2.gz PTZRBYASXATIHR-NRFANRHFSA-N 1 0 346.515 3.332 20 10 EGCDRO OC1CCN(c2ccc(C[N@H+](Cc3ccco3)C3CC3)cc2)CC1 ZINC001140287633 1378040851 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CCOC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C[C@@H]1C ZINC001140585626 1378090437 /nfs/dbraw/zinc/09/04/37/1378090437.db2.gz PZELMJCAEDIAEZ-RYUDHWBXSA-N 1 0 327.371 3.082 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c1 ZINC001140622754 1378100401 /nfs/dbraw/zinc/10/04/01/1378100401.db2.gz FVPGMPZCRNBZHP-LSDHHAIUSA-N 1 0 338.423 3.138 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1 ZINC001140622923 1378100451 /nfs/dbraw/zinc/10/04/51/1378100451.db2.gz HMJJFMAMAWGGRK-JLVBRIDZSA-N 1 0 346.471 3.436 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001140661808 1378109012 /nfs/dbraw/zinc/10/90/12/1378109012.db2.gz TWPWGPCKXRFTOZ-FQEVSTJZSA-N 1 0 341.430 3.394 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001140663629 1378109502 /nfs/dbraw/zinc/10/95/02/1378109502.db2.gz MKLQXTBSMUZZIY-AWEZNQCLSA-N 1 0 328.378 3.139 20 10 EGCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(O)c(C)c1O ZINC001140742661 1378128305 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/nfs/dbraw/zinc/25/47/82/1378254782.db2.gz RXBFMJPJVIPIFE-UHFFFAOYSA-N 1 0 343.423 3.397 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(F)c(F)cc1O ZINC001142524766 1378453274 /nfs/dbraw/zinc/45/32/74/1378453274.db2.gz JODFKZRAWUCLDY-CQSZACIVSA-N 1 0 332.394 3.377 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001142531442 1378454054 /nfs/dbraw/zinc/45/40/54/1378454054.db2.gz XPNYTAVSQNAVRV-DNVCBOLYSA-N 1 0 344.405 3.377 20 10 EGCDRO Cc1cnc(N2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)nc1 ZINC001143117033 1378543192 /nfs/dbraw/zinc/54/31/92/1378543192.db2.gz PTLGESKEZRCJRC-UHFFFAOYSA-N 1 0 340.471 3.110 20 10 EGCDRO Cc1cncnc1O[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116878 1378543623 /nfs/dbraw/zinc/54/36/23/1378543623.db2.gz NBDJZTSNIBOKCO-INIZCTEOSA-N 1 0 341.455 3.441 20 10 EGCDRO COc1ccc(N2CCN(Cc3n[nH]c4ccc(F)cc43)CC2)cc1 ZINC001144191581 1378695573 /nfs/dbraw/zinc/69/55/73/1378695573.db2.gz SROSTLNYKUJBDL-UHFFFAOYSA-N 1 0 340.402 3.033 20 10 EGCDRO C[C@@]1(c2ccc(Cl)cc2)C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144514917 1378739799 /nfs/dbraw/zinc/73/97/99/1378739799.db2.gz XOKINQBVRSLWKS-SFHVURJKSA-N 1 0 349.814 3.204 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc3ccncc3c2)cc1C ZINC001146808476 1378924920 /nfs/dbraw/zinc/92/49/20/1378924920.db2.gz UJJALXBDYOKYPA-UHFFFAOYSA-N 1 0 349.434 3.071 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2c(C)coc2C)cc1C ZINC001157402824 1380869831 /nfs/dbraw/zinc/86/98/31/1380869831.db2.gz RCYVFCSPNNDXOJ-UHFFFAOYSA-N 1 0 330.428 3.123 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC001157431941 1380890894 /nfs/dbraw/zinc/89/08/94/1380890894.db2.gz BVFFKJKFIVEUAR-IFXJQAMLSA-N 1 0 330.472 3.138 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccc(C)cc2)cc1C ZINC001162007231 1382597654 /nfs/dbraw/zinc/59/76/54/1382597654.db2.gz QALUSDDGQHESPX-UHFFFAOYSA-N 1 0 340.467 3.151 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCNc3cncc(C)c3)CC2)cc1 ZINC001164333679 1383178291 /nfs/dbraw/zinc/17/82/91/1383178291.db2.gz BXLSUWANSLAGKG-UHFFFAOYSA-N 1 0 340.471 3.023 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc[nH]c2C2CC2)cc1C ZINC001165229203 1383254020 /nfs/dbraw/zinc/25/40/20/1383254020.db2.gz WBBQYHSQQVLQTE-UHFFFAOYSA-N 1 0 341.455 3.119 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)CCCF)CC2)cc1C ZINC001166639966 1383451130 /nfs/dbraw/zinc/45/11/30/1383451130.db2.gz CGXDFQFKPVVVOK-UHFFFAOYSA-N 1 0 336.451 3.129 20 10 EGCDRO CC(C)Oc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167431209 1383632071 /nfs/dbraw/zinc/63/20/71/1383632071.db2.gz MMINMBSTDFRUIP-UHFFFAOYSA-N 1 0 340.471 3.233 20 10 EGCDRO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001168288558 1383864438 /nfs/dbraw/zinc/86/44/38/1383864438.db2.gz NHVGCKSVRCHHOE-KRWDZBQOSA-N 1 0 325.408 3.022 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC001169736785 1384180472 /nfs/dbraw/zinc/18/04/72/1384180472.db2.gz RTJWRMMMFOXTNW-IBGZPJMESA-N 1 0 337.467 3.147 20 10 EGCDRO O=C(c1ccccc1)N1CCC[C@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001169780796 1384185782 /nfs/dbraw/zinc/18/57/82/1384185782.db2.gz BMPZXSBVNGMKPC-SFHVURJKSA-N 1 0 336.435 3.055 20 10 EGCDRO [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169997200 1384214025 /nfs/dbraw/zinc/21/40/25/1384214025.db2.gz VMGSSBGUWNNPRG-YLJYHZDGSA-N 1 0 342.439 3.496 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C(C2CC2)C2CC2)cc1C ZINC001170660931 1384357905 /nfs/dbraw/zinc/35/79/05/1384357905.db2.gz CVXICNCTXAIFDD-UHFFFAOYSA-N 1 0 330.472 3.036 20 10 EGCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)cc1O ZINC001171096366 1384445217 /nfs/dbraw/zinc/44/52/17/1384445217.db2.gz APLXTUHKBGXHRR-OAHLLOKOSA-N 1 0 333.815 3.146 20 10 EGCDRO O=C(C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1)c1ccc(O)c(O)c1 ZINC001171104993 1384446293 /nfs/dbraw/zinc/44/62/93/1384446293.db2.gz MNEMKLIAXOBETJ-OAHLLOKOSA-N 1 0 331.799 3.081 20 10 EGCDRO CC[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(OCCOC)cc3)CC2)C1 ZINC001173293414 1384952801 /nfs/dbraw/zinc/95/28/01/1384952801.db2.gz LFDCTFSNFPFZKU-MJGOQNOKSA-N 1 0 332.488 3.413 20 10 EGCDRO C[C@@H]1CC([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H](C)C1 ZINC001318652739 1385816848 /nfs/dbraw/zinc/81/68/48/1385816848.db2.gz XSMKZYUWGICTBS-HOTGVXAUSA-N 1 0 333.495 3.492 20 10 EGCDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC001319929196 1386397313 /nfs/dbraw/zinc/39/73/13/1386397313.db2.gz YPIKFPPZYWUHFE-HNNXBMFYSA-N 1 0 342.443 3.070 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC001320123612 1386526516 /nfs/dbraw/zinc/52/65/16/1386526516.db2.gz SWKIBKVOHLXXML-ZACQAIPSSA-N 1 0 332.488 3.195 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1ccc(N(C)C)cc1 ZINC001320881357 1386746839 /nfs/dbraw/zinc/74/68/39/1386746839.db2.gz UNMDMSVBDHUXIA-FXAWDEMLSA-N 1 0 334.504 3.219 20 10 EGCDRO CC(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001180253864 1386746945 /nfs/dbraw/zinc/74/69/45/1386746945.db2.gz LBVBDDXEYPXGEN-BBRMVZONSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1c(O)c(C[NH2+]Cc2cccc(Cl)c2F)ccc1[N+](=O)[O-] ZINC001321018363 1386785000 /nfs/dbraw/zinc/78/50/00/1386785000.db2.gz ATLJGQCQQLPKGA-UHFFFAOYSA-N 1 0 340.738 3.391 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC2(CCOCC2)O1 ZINC001321440686 1386904961 /nfs/dbraw/zinc/90/49/61/1386904961.db2.gz QJKXAKAEORSEHE-KRWDZBQOSA-N 1 0 330.472 3.057 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182015831 1387094583 /nfs/dbraw/zinc/09/45/83/1387094583.db2.gz QSPSGKGOTLTUHF-QFBILLFUSA-N 1 0 342.483 3.090 20 10 EGCDRO CC[N@H+](Cc1ccoc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337026201 1389239716 /nfs/dbraw/zinc/23/97/16/1389239716.db2.gz PTWPZIDFKWUECY-UHFFFAOYSA-N 1 0 331.435 3.193 20 10 EGCDRO CCc1cc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC001332151009 1390008886 /nfs/dbraw/zinc/00/88/86/1390008886.db2.gz LAGBXOMPDKMJNK-HDICACEKSA-N 1 0 344.499 3.162 20 10 EGCDRO CCOC(=O)CC[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1CC1 ZINC001341554257 1390501491 /nfs/dbraw/zinc/50/14/91/1390501491.db2.gz QGCVKMFFAARQOT-UHFFFAOYSA-N 1 0 330.472 3.452 20 10 EGCDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1)c1ccccc1 ZINC001334367689 1390525402 /nfs/dbraw/zinc/52/54/02/1390525402.db2.gz ONLGICFAMJUYMI-CYBMUJFWSA-N 1 0 346.377 3.155 20 10 EGCDRO CC(C)Cn1c([C@H]2CCCN2C)nnc1N(C)Cc1ccccc1O ZINC001343014698 1390684134 /nfs/dbraw/zinc/68/41/34/1390684134.db2.gz YHDKBISDJSECHE-MRXNPFEDSA-N 1 0 343.475 3.043 20 10 EGCDRO Cc1cc(CN2CCC[N@@H+](Cc3ccc(N(C)C)cc3C)CC2)no1 ZINC001345075845 1390835600 /nfs/dbraw/zinc/83/56/00/1390835600.db2.gz BZXQQERAZYCBSP-UHFFFAOYSA-N 1 0 342.487 3.065 20 10 EGCDRO CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccc(N)cc2)n1 ZINC001345159541 1390842140 /nfs/dbraw/zinc/84/21/40/1390842140.db2.gz KCDDXZBLFHPDLW-HNNXBMFYSA-N 1 0 331.441 3.239 20 10 EGCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC001345160169 1390842415 /nfs/dbraw/zinc/84/24/15/1390842415.db2.gz SQEKTXUYTPFINF-CQSZACIVSA-N 1 0 344.846 3.168 20 10 EGCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001347221901 1391030934 /nfs/dbraw/zinc/03/09/34/1391030934.db2.gz HLYSOVSWLWKYPR-SFHVURJKSA-N 1 0 329.488 3.025 20 10 EGCDRO C[C@@H](CC1CCCCC1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001349138199 1391305656 /nfs/dbraw/zinc/30/56/56/1391305656.db2.gz OPDUDPKASGECAL-KXBFYZLASA-N 1 0 331.504 3.475 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1O ZINC001353592827 1392046009 /nfs/dbraw/zinc/04/60/09/1392046009.db2.gz HADOAECAAGIPIH-UHFFFAOYSA-N 1 0 346.393 3.073 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2(C(F)F)CC2)cc1C ZINC001700322766 1413789410 /nfs/dbraw/zinc/78/94/10/1413789410.db2.gz NCUQYHXFLDCJDC-ZDUSSCGKSA-N 1 0 340.414 3.033 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCCC(F)(F)F)cc1C ZINC001752905498 1440243977 /nfs/dbraw/zinc/24/39/77/1440243977.db2.gz VUVAWTLAARYAMV-CYBMUJFWSA-N 1 0 346.393 3.331 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)/C=C/C(C)(C)C)cc1C ZINC001753608193 1440448406 /nfs/dbraw/zinc/44/84/06/1440448406.db2.gz ZNUQPLYGTWTKHO-FEAKQIBJSA-N 1 0 332.488 3.448 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccc(C)o2)C2CC2)cc1C ZINC001754436329 1440598243 /nfs/dbraw/zinc/59/82/43/1440598243.db2.gz PNPHVBSHBPMDLH-KRWDZBQOSA-N 1 0 342.439 3.203 20 10 EGCDRO CC/C(C)=C/C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001754610615 1440643695 /nfs/dbraw/zinc/64/36/95/1440643695.db2.gz PFYSFZKQRZNWAR-OTMARIDSSA-N 1 0 330.472 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)c3ccco3)C2)cc1C ZINC001754686982 1440665278 /nfs/dbraw/zinc/66/52/78/1440665278.db2.gz HHYWZWWKVWZPKN-HXUWFJFHSA-N 1 0 342.439 3.239 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2C[C@H]2C2CC2)cc1C ZINC001755596739 1440882867 /nfs/dbraw/zinc/88/28/67/1440882867.db2.gz MNOBUKHHSGIHHJ-MNEFBYGVSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000894969676 1126126164 /nfs/dbraw/zinc/12/61/64/1126126164.db2.gz PARXUHLWATYROA-GOSISDBHSA-N 1 0 329.440 3.019 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000180840232 455253220 /nfs/dbraw/zinc/25/32/20/455253220.db2.gz UCWKHXJXQYYIPF-MRXNPFEDSA-N 1 0 325.460 3.128 20 10 EGCDRO Fc1cc(C[NH2+][C@@H]2CCCc3occc32)ccc1N1CCOCC1 ZINC000066972209 453891178 /nfs/dbraw/zinc/89/11/78/453891178.db2.gz CVEHFHFMMJSRDN-QGZVFWFLSA-N 1 0 330.403 3.423 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(N(C)C)cc1 ZINC000089544381 454160724 /nfs/dbraw/zinc/16/07/24/454160724.db2.gz FEBVLPUULGEJEY-AWEZNQCLSA-N 1 0 343.496 3.050 20 10 EGCDRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000089624461 454169554 /nfs/dbraw/zinc/16/95/54/454169554.db2.gz HARUVLFKNHEQPA-ZDUSSCGKSA-N 1 0 347.409 3.111 20 10 EGCDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000266141202 455424201 /nfs/dbraw/zinc/42/42/01/455424201.db2.gz HIIPNHAWLJRBEZ-UHFFFAOYSA-N 1 0 347.480 3.362 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000119650964 454210279 /nfs/dbraw/zinc/21/02/79/454210279.db2.gz RLPNOLQJMGFLOB-MRXNPFEDSA-N 1 0 326.440 3.383 20 10 EGCDRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(N(C)C)cc1 ZINC000132221021 454322144 /nfs/dbraw/zinc/32/21/44/454322144.db2.gz SJLRIWMRJHLFJC-UHFFFAOYSA-N 1 0 339.483 3.477 20 10 EGCDRO C[C@H]1OCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000120868165 454359293 /nfs/dbraw/zinc/35/92/93/454359293.db2.gz BNEHPWZTSNYBKJ-MLGOLLRUSA-N 1 0 326.387 3.024 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](c2ccccc2)O1 ZINC000063126086 454394218 /nfs/dbraw/zinc/39/42/18/454394218.db2.gz OVNMLAHFHVECFW-DJJJIMSYSA-N 1 0 327.380 3.083 20 10 EGCDRO CSc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000121137976 454397215 /nfs/dbraw/zinc/39/72/15/454397215.db2.gz CGMFAHQVIIPXPO-UHFFFAOYSA-N 1 0 344.480 3.205 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)cc(F)c1 ZINC000121291686 454416728 /nfs/dbraw/zinc/41/67/28/454416728.db2.gz HEYPYPIWTKTIDQ-UHFFFAOYSA-N 1 0 332.394 3.433 20 10 EGCDRO CCN(C[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1)CC(F)(F)F ZINC000093771113 454734445 /nfs/dbraw/zinc/73/44/45/454734445.db2.gz CISFLDLATBZUPN-ZDUSSCGKSA-N 1 0 346.393 3.107 20 10 EGCDRO COc1cccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1O ZINC000124608576 454752909 /nfs/dbraw/zinc/75/29/09/454752909.db2.gz JGERFFYRQNXDGJ-LJQANCHMSA-N 1 0 327.424 3.346 20 10 EGCDRO CCc1ccc([C@H](COC)[NH2+]Cc2cc(OC)c(OC)cc2O)o1 ZINC000182224017 455466099 /nfs/dbraw/zinc/46/60/99/455466099.db2.gz OBIOAGFMMQNKTJ-AWEZNQCLSA-N 1 0 335.400 3.042 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000160518329 455468665 /nfs/dbraw/zinc/46/86/65/455468665.db2.gz CVHBYSMOXDPXMD-ZDUSSCGKSA-N 1 0 343.393 3.006 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000160518466 455468680 /nfs/dbraw/zinc/46/86/80/455468680.db2.gz CVHBYSMOXDPXMD-CYBMUJFWSA-N 1 0 343.393 3.006 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000126260266 454881319 /nfs/dbraw/zinc/88/13/19/454881319.db2.gz FILKMBGKDLFTCW-HUUCEWRRSA-N 1 0 336.451 3.128 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(N(C)C)cc1 ZINC000168144381 454925228 /nfs/dbraw/zinc/92/52/28/454925228.db2.gz CGHNRUAYTAIPBX-ZBFHGGJFSA-N 1 0 328.435 3.216 20 10 EGCDRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1 ZINC000178231608 454944280 /nfs/dbraw/zinc/94/42/80/454944280.db2.gz NOILELLCQMHFMN-KRWDZBQOSA-N 1 0 338.499 3.463 20 10 EGCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178368659 454953136 /nfs/dbraw/zinc/95/31/36/454953136.db2.gz KDONGSMRQNRMQI-KXBFYZLASA-N 1 0 338.467 3.254 20 10 EGCDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178490817 454956760 /nfs/dbraw/zinc/95/67/60/454956760.db2.gz IDWDAOITDSXNBB-HZPDHXFCSA-N 1 0 347.478 3.478 20 10 EGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178723492 454969966 /nfs/dbraw/zinc/96/99/66/454969966.db2.gz JRMIGQRUSPVGEF-ZIAGYGMSSA-N 1 0 346.450 3.116 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1O ZINC000179656912 455065099 /nfs/dbraw/zinc/06/50/99/455065099.db2.gz YNVHJEBJRIBKTE-KRWDZBQOSA-N 1 0 340.471 3.398 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171439555 455070312 /nfs/dbraw/zinc/07/03/12/455070312.db2.gz DKYVYSOBOMIDPL-MRXNPFEDSA-N 1 0 343.496 3.466 20 10 EGCDRO O=C(NC1CCCCC1)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179984164 455110170 /nfs/dbraw/zinc/11/01/70/455110170.db2.gz OMLGIDFKVFFWJT-UHFFFAOYSA-N 1 0 349.450 3.128 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccccc1O ZINC000156602384 455136783 /nfs/dbraw/zinc/13/67/83/455136783.db2.gz GKAJAJFPIIVDDA-KRWDZBQOSA-N 1 0 329.396 3.185 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnccn1 ZINC000130075306 455140999 /nfs/dbraw/zinc/14/09/99/455140999.db2.gz RDOMTFKLZRBABU-ZIAGYGMSSA-N 1 0 348.397 3.398 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1O ZINC000189281891 455169678 /nfs/dbraw/zinc/16/96/78/455169678.db2.gz GIUWFECJKYUBJV-LOWVWBTDSA-N 1 0 328.250 3.275 20 10 EGCDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000237408343 455182703 /nfs/dbraw/zinc/18/27/03/455182703.db2.gz SOSTXYIBYNOIRU-MRXNPFEDSA-N 1 0 337.467 3.153 20 10 EGCDRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000189502820 455209309 /nfs/dbraw/zinc/20/93/09/455209309.db2.gz HCWDHLRTLUWFCI-UHFFFAOYSA-N 1 0 344.455 3.278 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](COCc3ccccc3)C1)OCO2 ZINC000172970608 455215087 /nfs/dbraw/zinc/21/50/87/455215087.db2.gz RTSKCGBBOOQYLX-INIZCTEOSA-N 1 0 341.407 3.160 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000181068555 455282880 /nfs/dbraw/zinc/28/28/80/455282880.db2.gz AFIOICDSNGSUIN-KRWDZBQOSA-N 1 0 330.428 3.229 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccn3)C2)cc1 ZINC000174622572 455407127 /nfs/dbraw/zinc/40/71/27/455407127.db2.gz WMQHQOMKYHIOBJ-OAHLLOKOSA-N 1 0 333.382 3.442 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c1 ZINC000184920147 455472417 /nfs/dbraw/zinc/47/24/17/455472417.db2.gz LPQJZGWJPWJKPH-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000184950721 455477987 /nfs/dbraw/zinc/47/79/87/455477987.db2.gz RFPNWQUHCMTSSP-LLVKDONJSA-N 1 0 326.824 3.317 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Cl)ccc1O ZINC000184988430 455482571 /nfs/dbraw/zinc/48/25/71/455482571.db2.gz DJXHQXMTOPSHCW-GFCCVEGCSA-N 1 0 328.803 3.477 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1 ZINC000185033190 455489111 /nfs/dbraw/zinc/48/91/11/455489111.db2.gz GNFXXLQHGZDWBT-CVEARBPZSA-N 1 0 341.455 3.172 20 10 EGCDRO COc1ccc(COCC[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182346741 455494015 /nfs/dbraw/zinc/49/40/15/455494015.db2.gz PTDONWWUGVQMNN-CQSZACIVSA-N 1 0 331.412 3.277 20 10 EGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185154558 455512155 /nfs/dbraw/zinc/51/21/55/455512155.db2.gz UZVUAVJIQZAJKA-WDEREUQCSA-N 1 0 343.265 3.110 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)NCc1ccccc1 ZINC000185183811 455518053 /nfs/dbraw/zinc/51/80/53/455518053.db2.gz BUROTOIIUZELCV-STQMWFEESA-N 1 0 332.831 3.401 20 10 EGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185322850 455540241 /nfs/dbraw/zinc/54/02/41/455540241.db2.gz MLKBJPLRBCRBBW-KGLIPLIRSA-N 1 0 348.468 3.021 20 10 EGCDRO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000182663230 455563107 /nfs/dbraw/zinc/56/31/07/455563107.db2.gz DVDNZOVJJQJQOK-UHFFFAOYSA-N 1 0 325.286 3.170 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1O ZINC000185531703 455573958 /nfs/dbraw/zinc/57/39/58/455573958.db2.gz RLIWJUJKDPMUFZ-WDMOLILDSA-N 1 0 328.250 3.356 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c(O)c1 ZINC000185650092 455589965 /nfs/dbraw/zinc/58/99/65/455589965.db2.gz VGXFZGQXODXYOR-CQSZACIVSA-N 1 0 333.453 3.096 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000268773601 455712339 /nfs/dbraw/zinc/71/23/39/455712339.db2.gz GBDQDHWGEIEIHF-DYESRHJHSA-N 1 0 340.467 3.216 20 10 EGCDRO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268820579 455713647 /nfs/dbraw/zinc/71/36/47/455713647.db2.gz JVQLNRHKUFHJCH-HNNXBMFYSA-N 1 0 336.451 3.008 20 10 EGCDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000268790795 455714193 /nfs/dbraw/zinc/71/41/93/455714193.db2.gz XVDJLPWSAMJVOJ-AWEZNQCLSA-N 1 0 331.485 3.181 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccccc1O ZINC000271676967 455718954 /nfs/dbraw/zinc/71/89/54/455718954.db2.gz HQLIQVINLVYEAW-MRXNPFEDSA-N 1 0 334.441 3.005 20 10 EGCDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccc(O)c1O ZINC000193139816 455744030 /nfs/dbraw/zinc/74/40/30/455744030.db2.gz WPPILHQGOWJWNJ-UHFFFAOYSA-N 1 0 326.396 3.254 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc2ccccc2c1O ZINC000186375369 455755266 /nfs/dbraw/zinc/75/52/66/455755266.db2.gz PWEVNSUSAGNGRC-GOEBONIOSA-N 1 0 343.423 3.118 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1O ZINC000271834221 455780913 /nfs/dbraw/zinc/78/09/13/455780913.db2.gz PERYGBXMRHRZCZ-MOPGFXCFSA-N 1 0 327.424 3.025 20 10 EGCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293347777 455783307 /nfs/dbraw/zinc/78/33/07/455783307.db2.gz DLXCXTXFXHXWEK-UHFFFAOYSA-N 1 0 331.504 3.189 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000186517783 455784848 /nfs/dbraw/zinc/78/48/48/455784848.db2.gz DLHWOBXAIUOKAC-ZDUSSCGKSA-N 1 0 338.448 3.356 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1N(C)C ZINC000293470173 455787970 /nfs/dbraw/zinc/78/79/70/455787970.db2.gz DZRCWKULTCUHRW-LSDHHAIUSA-N 1 0 330.394 3.054 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2ccco2)c1O ZINC000271869296 455793630 /nfs/dbraw/zinc/79/36/30/455793630.db2.gz WZQULRAPXCDDQD-OAHLLOKOSA-N 1 0 340.217 3.053 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000293854139 455798951 /nfs/dbraw/zinc/79/89/51/455798951.db2.gz YOHBORMDAKUJBD-INIZCTEOSA-N 1 0 326.440 3.388 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)ccc1N(C)C ZINC000294553131 455818866 /nfs/dbraw/zinc/81/88/66/455818866.db2.gz KXDOHMKASYFBTK-WZONZLPQSA-N 1 0 330.497 3.270 20 10 EGCDRO CN(c1ccc(C[NH2+]C2CCN(C=O)CC2)cc1)C1CCCCC1 ZINC000278765355 455847479 /nfs/dbraw/zinc/84/74/79/455847479.db2.gz OWTGNPATBSQYTI-UHFFFAOYSA-N 1 0 329.488 3.166 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](OC)C[C@H]3C)cc2)CC1 ZINC000295424633 455848893 /nfs/dbraw/zinc/84/88/93/455848893.db2.gz ULQQCWXKPWCZRL-UZLBHIALSA-N 1 0 332.488 3.301 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)CC2 ZINC000295957477 455864307 /nfs/dbraw/zinc/86/43/07/455864307.db2.gz LXLLFOUXHVRPDQ-CVEARBPZSA-N 1 0 344.480 3.104 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3cc(F)ccc3O)n2)c1 ZINC000279595858 455867784 /nfs/dbraw/zinc/86/77/84/455867784.db2.gz VUSYKZNYWJXCGR-RYUDHWBXSA-N 1 0 341.390 3.432 20 10 EGCDRO CC[C@]1(C)C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000296122885 455869592 /nfs/dbraw/zinc/86/95/92/455869592.db2.gz WAGFLIHRGFDVDT-HXUWFJFHSA-N 1 0 332.488 3.303 20 10 EGCDRO CN1CCCc2cc(C[NH2+]Cc3ccc4c(c3)CCC(=O)N4C)ccc21 ZINC000187173924 455876480 /nfs/dbraw/zinc/87/64/80/455876480.db2.gz NDHVSRFTNHGIDN-UHFFFAOYSA-N 1 0 349.478 3.268 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccnc1OCCOC)c1ccc(C)cc1O ZINC000280007515 455880639 /nfs/dbraw/zinc/88/06/39/455880639.db2.gz GMBNTVYYRDBBOO-QGZVFWFLSA-N 1 0 330.428 3.362 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(O)c1 ZINC000194862916 455893189 /nfs/dbraw/zinc/89/31/89/455893189.db2.gz FGAYLFLQWPGIIC-CQSZACIVSA-N 1 0 344.430 3.343 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1Oc1ccccc1 ZINC000187638268 455932159 /nfs/dbraw/zinc/93/21/59/455932159.db2.gz SLCKYBXWOYZTLI-HQRMLTQVSA-N 1 0 343.423 3.115 20 10 EGCDRO C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000187674071 455936510 /nfs/dbraw/zinc/93/65/10/455936510.db2.gz FEUUYBYAYMHIHU-MCIONIFRSA-N 1 0 342.430 3.210 20 10 EGCDRO COC1(C)CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000272411456 455941700 /nfs/dbraw/zinc/94/17/00/455941700.db2.gz ZJDXIPADLFCTFK-UHFFFAOYSA-N 1 0 328.250 3.464 20 10 EGCDRO CN1CCCc2cc(C[NH2+]C3CCN(c4nccs4)CC3)ccc21 ZINC000272758057 456063460 /nfs/dbraw/zinc/06/34/60/456063460.db2.gz VDMOWMAMCTYQHI-UHFFFAOYSA-N 1 0 342.512 3.284 20 10 EGCDRO Cc1ccc([C@@H]([NH2+]Cc2cccc(C)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280844628 456064595 /nfs/dbraw/zinc/06/45/95/456064595.db2.gz YSHDWIZXGGXFBY-YJBOKZPZSA-N 1 0 347.480 3.273 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287730829 456076269 /nfs/dbraw/zinc/07/62/69/456076269.db2.gz YKKDONJPZSUFDN-HZPDHXFCSA-N 1 0 331.460 3.031 20 10 EGCDRO Cc1nccn1CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280984511 456100896 /nfs/dbraw/zinc/10/08/96/456100896.db2.gz UQJUHKUISWETLC-UHFFFAOYSA-N 1 0 326.366 3.066 20 10 EGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Br)ccc1O ZINC000289233020 456118519 /nfs/dbraw/zinc/11/85/19/456118519.db2.gz DDNLKLJXTKGLMK-TXBJDVRTSA-N 1 0 338.245 3.010 20 10 EGCDRO COC[C@@]1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])OCCc2ccccc21 ZINC000289703446 456137841 /nfs/dbraw/zinc/13/78/41/456137841.db2.gz IUEOATOFOVXDMQ-JLTOFOAXSA-N 1 0 345.414 3.297 20 10 EGCDRO OC[C@@]1(F)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000289736802 456139434 /nfs/dbraw/zinc/13/94/34/456139434.db2.gz IFUFWRRTBINMEX-HXUWFJFHSA-N 1 0 345.414 3.268 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)O1 ZINC000297361089 456198556 /nfs/dbraw/zinc/19/85/56/456198556.db2.gz CASNJHHRNVONFK-LPHOPBHVSA-N 1 0 332.488 3.301 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1O ZINC000236904126 456199711 /nfs/dbraw/zinc/19/97/11/456199711.db2.gz QCKCIDUYQQCKEX-INIZCTEOSA-N 1 0 330.428 3.311 20 10 EGCDRO COC[C@]1(C[NH2+][C@@H](C)c2ccccc2O)OCCc2ccccc21 ZINC000289980489 456203788 /nfs/dbraw/zinc/20/37/88/456203788.db2.gz XWFASEVMLPUDCV-YWZLYKJASA-N 1 0 327.424 3.157 20 10 EGCDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2=O)cc1 ZINC000189080191 456220808 /nfs/dbraw/zinc/22/08/08/456220808.db2.gz AKBODNNYKMATIF-VQIMIIECSA-N 1 0 338.451 3.461 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2cc(OC)cc(OC)c2)c1 ZINC000273479102 456232693 /nfs/dbraw/zinc/23/26/93/456232693.db2.gz LPYLLBZSLMNAGO-ZDUSSCGKSA-N 1 0 347.411 3.148 20 10 EGCDRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000290073701 456233219 /nfs/dbraw/zinc/23/32/19/456233219.db2.gz FXYODKYIDOOMFY-LJQANCHMSA-N 1 0 333.378 3.098 20 10 EGCDRO Cc1noc(CCC[NH2+][C@H](C)c2cc(Br)ccc2O)n1 ZINC000273538292 456237437 /nfs/dbraw/zinc/23/74/37/456237437.db2.gz XTAWJXNSSRECAU-SECBINFHSA-N 1 0 340.221 3.130 20 10 EGCDRO COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2)c1 ZINC000273612608 456241261 /nfs/dbraw/zinc/24/12/61/456241261.db2.gz WQHGXBNROQEIGC-CABCVRRESA-N 1 0 342.439 3.339 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2O)o1 ZINC000273622710 456241424 /nfs/dbraw/zinc/24/14/24/456241424.db2.gz ZLQFHUOHDZXEJP-HZMBPMFUSA-N 1 0 340.217 3.440 20 10 EGCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](CC)c2ccccc2O)c1 ZINC000274858681 456266010 /nfs/dbraw/zinc/26/60/10/456266010.db2.gz CKVPTMPNZQWJFD-SFHVURJKSA-N 1 0 342.439 3.148 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)c1O ZINC000275372081 456273931 /nfs/dbraw/zinc/27/39/31/456273931.db2.gz VVXWCJYGBWMGSP-ADWYPQAOSA-N 1 0 348.306 3.271 20 10 EGCDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000290271232 456277533 /nfs/dbraw/zinc/27/75/33/456277533.db2.gz WEKMSKHSAUPIFJ-PMACEKPBSA-N 1 0 343.515 3.269 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1O ZINC000276095348 456388105 /nfs/dbraw/zinc/38/81/05/456388105.db2.gz YKJNARXQGIUDRV-ZDUSSCGKSA-N 1 0 328.250 3.056 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1O ZINC000282346767 456484084 /nfs/dbraw/zinc/48/40/84/456484084.db2.gz MNMBNJXZSITROF-HXUWFJFHSA-N 1 0 327.424 3.105 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1O ZINC000282364172 456490229 /nfs/dbraw/zinc/49/02/29/456490229.db2.gz HXCCFRKBTQYYAH-GDBMZVCRSA-N 1 0 325.412 3.349 20 10 EGCDRO CCC[N@H+](CCCCCS(=O)(=O)CC)Cc1ccccc1O ZINC000276534853 456509784 /nfs/dbraw/zinc/50/97/84/456509784.db2.gz YEVJNEQLVIQOKW-UHFFFAOYSA-N 1 0 327.490 3.209 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1C ZINC000283034349 456695751 /nfs/dbraw/zinc/69/57/51/456695751.db2.gz QRQGLSQOFPKAEB-SFHVURJKSA-N 1 0 339.439 3.405 20 10 EGCDRO O=C(NCc1ccccc1O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000299468815 456703278 /nfs/dbraw/zinc/70/32/78/456703278.db2.gz CEYQHUSMLKPRCG-GOSISDBHSA-N 1 0 339.439 3.029 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1O ZINC000283099566 456710626 /nfs/dbraw/zinc/71/06/26/456710626.db2.gz SUSUQMMGSOGXBL-OAHLLOKOSA-N 1 0 336.229 3.286 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000349643975 457003918 /nfs/dbraw/zinc/00/39/18/457003918.db2.gz GXXZYUMSDMTHPA-RHSMWYFYSA-N 1 0 342.487 3.015 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000378428589 457395140 /nfs/dbraw/zinc/39/51/40/457395140.db2.gz JPYSPPGYXNSPDT-XYPHTWIQSA-N 1 0 338.879 3.167 20 10 EGCDRO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000378500619 457404327 /nfs/dbraw/zinc/40/43/27/457404327.db2.gz UIRGGJXACSVVNO-UHFFFAOYSA-N 1 0 334.435 3.146 20 10 EGCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375742460 458046295 /nfs/dbraw/zinc/04/62/95/458046295.db2.gz LPGWFUYNOGKJLI-UPCLLVRISA-N 1 0 342.508 3.106 20 10 EGCDRO CCCN(CCC[NH+](C)C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472221856 458775148 /nfs/dbraw/zinc/77/51/48/458775148.db2.gz GOBJZJLBQSSGQN-UHFFFAOYSA-N 1 0 344.503 3.360 20 10 EGCDRO CCN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cc(C)cc(C)c1 ZINC000592501396 459615511 /nfs/dbraw/zinc/61/55/11/459615511.db2.gz ACEGPQWGHKLXDK-HNNXBMFYSA-N 1 0 326.444 3.003 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](Cc2ccc(F)cc2)OC)c1 ZINC000528435728 459806617 /nfs/dbraw/zinc/80/66/17/459806617.db2.gz DGGCMPPXRDHJCX-DYVFJYSZSA-N 1 0 333.403 3.448 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1cc(Br)ccc1O ZINC000037158061 522934690 /nfs/dbraw/zinc/93/46/90/522934690.db2.gz YXZWBKKCTWPYCQ-BXUZGUMPSA-N 1 0 338.249 3.481 20 10 EGCDRO CCC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000727310652 574660489 /nfs/dbraw/zinc/66/04/89/574660489.db2.gz OCVOCPHUXDRVME-HXUWFJFHSA-N 1 0 339.483 3.500 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]CC(=O)Nc2ccc(Br)cc2)c1 ZINC000733324850 575327708 /nfs/dbraw/zinc/32/77/08/575327708.db2.gz GQFJYWSCJFTKEY-UHFFFAOYSA-N 1 0 349.228 3.191 20 10 EGCDRO CC(C)(CO)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742371881 576774850 /nfs/dbraw/zinc/77/48/50/576774850.db2.gz BALSUSHBINNCEX-UHFFFAOYSA-N 1 0 349.475 3.473 20 10 EGCDRO COc1ccc(C2([NH2+]Cc3cccc(OC)c3O)CCOCC2)cc1 ZINC000742373131 576775108 /nfs/dbraw/zinc/77/51/08/576775108.db2.gz OWEAIPWYSIYPLN-UHFFFAOYSA-N 1 0 343.423 3.205 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000742373375 576775163 /nfs/dbraw/zinc/77/51/63/576775163.db2.gz APLWQPIMONJDBV-INIZCTEOSA-N 1 0 335.448 3.346 20 10 EGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743500261 576810554 /nfs/dbraw/zinc/81/05/54/576810554.db2.gz UYWJSICVBVUKSG-DOTOQJQBSA-N 1 0 349.475 3.472 20 10 EGCDRO C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000743716290 576815184 /nfs/dbraw/zinc/81/51/84/576815184.db2.gz ODMDMRBEFVVVFA-ZNMIVQPWSA-N 1 0 330.472 3.149 20 10 EGCDRO C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)CCN1Cc1ccccc1 ZINC000743810123 576816197 /nfs/dbraw/zinc/81/61/97/576816197.db2.gz ADYGUHVOWSRKAN-CQSZACIVSA-N 1 0 330.453 3.190 20 10 EGCDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000743854182 576817060 /nfs/dbraw/zinc/81/70/60/576817060.db2.gz OEZHQYIJTYICLE-KPFFTGBYSA-N 1 0 343.515 3.364 20 10 EGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000744438449 576828352 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O=[N+]([O-])c1cc(C[N@@H+](CCCCO)C2CC2)ccc1N1CCCCC1 ZINC000769403311 1303107979 /nfs/dbraw/zinc/10/79/79/1303107979.db2.gz BVSIOOUNLZRPBI-UHFFFAOYSA-N 1 0 347.459 3.322 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)c1O ZINC000769404197 1303108311 /nfs/dbraw/zinc/10/83/11/1303108311.db2.gz OYSBISURCISAEX-QGZVFWFLSA-N 1 0 340.467 3.497 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000033299898 1291385661 /nfs/dbraw/zinc/38/56/61/1291385661.db2.gz LKOBJRSGVWILBT-YVMONPNESA-N 1 0 338.451 3.232 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000066699547 1292127148 /nfs/dbraw/zinc/12/71/48/1292127148.db2.gz FQMPEMUUFFBGEJ-IRXDYDNUSA-N 1 0 347.503 3.434 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1O ZINC000827734491 1292362108 /nfs/dbraw/zinc/36/21/08/1292362108.db2.gz YOXVXCWJJMFGGE-MLGOLLRUSA-N 1 0 335.831 3.308 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1F ZINC000076074497 1292418167 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COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178205318 1294721507 /nfs/dbraw/zinc/72/15/07/1294721507.db2.gz AEMYDCQGEZPKBO-HUUCEWRRSA-N 1 0 346.471 3.233 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000182372538 1295039968 /nfs/dbraw/zinc/03/99/68/1295039968.db2.gz LIDWMXJYTGOILS-CQSZACIVSA-N 1 0 328.412 3.307 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000182939219 1295084997 /nfs/dbraw/zinc/08/49/97/1295084997.db2.gz NMAQYXAWDOUQCK-INIZCTEOSA-N 1 0 331.504 3.269 20 10 EGCDRO COc1cc(N2CC[NH+](CC3CCCCC3)CC2)cc(OC)c1OC ZINC000183699066 1295137501 /nfs/dbraw/zinc/13/75/01/1295137501.db2.gz WWSYVDHXSNQGDD-UHFFFAOYSA-N 1 0 348.487 3.415 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000184246985 1295181160 /nfs/dbraw/zinc/18/11/60/1295181160.db2.gz UMVYYWKTCXCXLT-IBGZPJMESA-N 1 0 327.424 3.234 20 10 EGCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000184945906 1295231112 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/nfs/dbraw/zinc/34/45/96/1296344596.db2.gz NCDVPVVGWMKQED-IAGOWNOFSA-N 1 0 347.503 3.434 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000321842937 1297182493 /nfs/dbraw/zinc/18/24/93/1297182493.db2.gz AKQKCAIVWHYTGE-SHTZXODSSA-N 1 0 338.423 3.457 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)cc1Cn1cccn1 ZINC000873044256 1297243823 /nfs/dbraw/zinc/24/38/23/1297243823.db2.gz IGVFIWMNJCRXIH-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccc2ccccc2c1O ZINC000327290634 1297245925 /nfs/dbraw/zinc/24/59/25/1297245925.db2.gz JUPIRCZGQIEYIE-CQSZACIVSA-N 1 0 332.407 3.481 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382471458 1297560147 /nfs/dbraw/zinc/56/01/47/1297560147.db2.gz PZOSLHRWPVRWOE-HOCLYGCPSA-N 1 0 334.460 3.484 20 10 EGCDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382469301 1297561006 /nfs/dbraw/zinc/56/10/06/1297561006.db2.gz OSTDNHRWVXRBCD-ZBFHGGJFSA-N 1 0 334.460 3.484 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000383846395 1297574643 /nfs/dbraw/zinc/57/46/43/1297574643.db2.gz LDOYQKFEDFODNA-LSDHHAIUSA-N 1 0 332.444 3.369 20 10 EGCDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406058 1298059465 /nfs/dbraw/zinc/05/94/65/1298059465.db2.gz BVZQVGOZXVTSNR-LUAWRHEFSA-N 1 0 346.471 3.082 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cncc(Br)c2)c1 ZINC000703023798 1298199241 /nfs/dbraw/zinc/19/92/41/1298199241.db2.gz XDYIKBNDYOUNBJ-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000715103474 1298277106 /nfs/dbraw/zinc/27/71/06/1298277106.db2.gz LOJOEAIMWIIEDG-OBJOEFQTSA-N 1 0 338.423 3.485 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)N1c2ccccc2C[C@H]1C ZINC000725843653 1298371473 /nfs/dbraw/zinc/37/14/73/1298371473.db2.gz XLKAECPEBIZGIY-HUUCEWRRSA-N 1 0 336.435 3.077 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745854647 1298491673 /nfs/dbraw/zinc/49/16/73/1298491673.db2.gz MXJAUNAZWSVIQZ-FUHWJXTLSA-N 1 0 346.519 3.155 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000746890553 1298679440 /nfs/dbraw/zinc/67/94/40/1298679440.db2.gz RVSSJKZOTXPHIC-UHFFFAOYSA-N 1 0 347.434 3.257 20 10 EGCDRO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876531407 1298808109 /nfs/dbraw/zinc/80/81/09/1298808109.db2.gz FMYFQBMGECBRGY-MRXNPFEDSA-N 1 0 325.456 3.026 20 10 EGCDRO CO[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)C1CCOCC1 ZINC000876585086 1298849106 /nfs/dbraw/zinc/84/91/06/1298849106.db2.gz YSDJJTHYHVKBCB-HXUWFJFHSA-N 1 0 334.504 3.405 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4ccco4)C3)cc2)CC1 ZINC000876724015 1298938529 /nfs/dbraw/zinc/93/85/29/1298938529.db2.gz KXNNOQVBRRMZAP-QGZVFWFLSA-N 1 0 326.440 3.230 20 10 EGCDRO CC[NH+]1CCN(c2ccc(NCc3c(C)cccc3O)cc2)CC1 ZINC000876820144 1299013325 /nfs/dbraw/zinc/01/33/25/1299013325.db2.gz KTAFORBWLUMRCI-UHFFFAOYSA-N 1 0 325.456 3.455 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCCOC3CCCC3)cc2)CC1 ZINC000876991026 1299104177 /nfs/dbraw/zinc/10/41/77/1299104177.db2.gz QTIWPRSDNJIIPQ-UHFFFAOYSA-N 1 0 332.488 3.087 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)cc1F ZINC000877028165 1299119159 /nfs/dbraw/zinc/11/91/59/1299119159.db2.gz ZKIXGFSHVZYYRL-HOCLYGCPSA-N 1 0 335.467 3.209 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCC[C@H]3CCCCO3)cc2)CC1 ZINC000877352927 1299258524 /nfs/dbraw/zinc/25/85/24/1299258524.db2.gz MBXAFBYLZJOMET-HXUWFJFHSA-N 1 0 332.488 3.087 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2Cl)c(O)c1 ZINC000877494174 1299346865 /nfs/dbraw/zinc/34/68/65/1299346865.db2.gz UUMKFZYTMZGNCI-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c(O)c1 ZINC000877544979 1299388540 /nfs/dbraw/zinc/38/85/40/1299388540.db2.gz CJUZGRYFXDYXRV-UHFFFAOYSA-N 1 0 328.387 3.103 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(C)cc3O)C2)cc1 ZINC000877598733 1299423772 /nfs/dbraw/zinc/42/37/72/1299423772.db2.gz SAIHMTGTAGSTRH-MRXNPFEDSA-N 1 0 326.440 3.325 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)c([N+](=O)[O-])cc1OC ZINC000877756576 1299532585 /nfs/dbraw/zinc/53/25/85/1299532585.db2.gz UNFWSEPGUMHYDA-LLVKDONJSA-N 1 0 332.356 3.168 20 10 EGCDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000751501574 1299558625 /nfs/dbraw/zinc/55/86/25/1299558625.db2.gz KWJLYELBSVLOQT-GOSISDBHSA-N 1 0 335.448 3.226 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](O)c1ccccc1 ZINC000877833420 1299601100 /nfs/dbraw/zinc/60/11/00/1299601100.db2.gz VIVSRFHHADKYCZ-BEFAXECRSA-N 1 0 331.412 3.011 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccc(C)cc3)CC2)c1 ZINC000753577377 1299978166 /nfs/dbraw/zinc/97/81/66/1299978166.db2.gz UKHHJDNEYQTYGB-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2)c2c1c(F)ccc2O ZINC000756398656 1300484359 /nfs/dbraw/zinc/48/43/59/1300484359.db2.gz XNKFEBCRRSPJQF-IOASZLSFSA-N 1 0 331.387 3.109 20 10 EGCDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)N1CCOCC1 ZINC000756398468 1300484624 /nfs/dbraw/zinc/48/46/24/1300484624.db2.gz HVGGBGUNVXBNTP-APWZRJJASA-N 1 0 334.504 3.488 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000756400018 1300484648 /nfs/dbraw/zinc/48/46/48/1300484648.db2.gz SZRVPJCNSZDYOR-CQSZACIVSA-N 1 0 342.483 3.323 20 10 EGCDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)N1CCOCC1 ZINC000756398037 1300484776 /nfs/dbraw/zinc/48/47/76/1300484776.db2.gz BGJVLHKESWICGD-APWZRJJASA-N 1 0 334.504 3.488 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756420113 1300487161 /nfs/dbraw/zinc/48/71/61/1300487161.db2.gz HCPYHUWXGKUYJY-XHSDSOJGSA-N 1 0 348.487 3.197 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756553928 1300520586 /nfs/dbraw/zinc/52/05/86/1300520586.db2.gz NIAGRWZFWKUULT-GHMZBOCLSA-N 1 0 345.256 3.286 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c(O)c1C ZINC000756573575 1300524362 /nfs/dbraw/zinc/52/43/62/1300524362.db2.gz LAMWQBZUYBMHFK-AEFFLSMTSA-N 1 0 332.488 3.303 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756604125 1300528866 /nfs/dbraw/zinc/52/88/66/1300528866.db2.gz LRHABCKJLYBDOJ-MLGOLLRUSA-N 1 0 342.414 3.272 20 10 EGCDRO C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1cc(F)ccc1O ZINC000756596881 1300529553 /nfs/dbraw/zinc/52/95/53/1300529553.db2.gz IEMWIJQCESOELV-CQSZACIVSA-N 1 0 328.431 3.281 20 10 EGCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cc(Br)ccc1O ZINC000756648792 1300540268 /nfs/dbraw/zinc/54/02/68/1300540268.db2.gz YTZBPUSPIMMFJI-ZETOZRRWSA-N 1 0 339.277 3.288 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)c2c1c(F)ccc2O ZINC000756648870 1300540550 /nfs/dbraw/zinc/54/05/50/1300540550.db2.gz LQWBPFURFKJPHN-ZWNOBZJWSA-N 1 0 336.407 3.289 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756664823 1300543678 /nfs/dbraw/zinc/54/36/78/1300543678.db2.gz QQCCVBCGOBUEOB-QMTHXVAHSA-N 1 0 333.407 3.174 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1ccccc1O ZINC000879649069 1300649185 /nfs/dbraw/zinc/64/91/85/1300649185.db2.gz LAUJBQBXLGEOMA-OLZOCXBDSA-N 1 0 332.831 3.401 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccccc1O ZINC000879650004 1300649798 /nfs/dbraw/zinc/64/97/98/1300649798.db2.gz XFXBCXIDHIJBGM-KGLIPLIRSA-N 1 0 330.403 3.402 20 10 EGCDRO C[C@@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC000879649357 1300649821 /nfs/dbraw/zinc/64/98/21/1300649821.db2.gz QYZWGYGFAVVJMH-MGPQQGTHSA-N 1 0 330.403 3.448 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)ccc1OC ZINC000757802072 1300736918 /nfs/dbraw/zinc/73/69/18/1300736918.db2.gz ZEKIPUXTFUFBNQ-PXNSSMCTSA-N 1 0 349.471 3.443 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)cc1 ZINC000759643266 1301135347 /nfs/dbraw/zinc/13/53/47/1301135347.db2.gz LUKBNOGAGIWTRH-ZDUSSCGKSA-N 1 0 345.409 3.032 20 10 EGCDRO C[C@@H](NC(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccc(N(C)C)cc1 ZINC000880601206 1301178684 /nfs/dbraw/zinc/17/86/84/1301178684.db2.gz PCTVKGPXAOAMII-CQSZACIVSA-N 1 0 341.459 3.092 20 10 EGCDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C1=CC(=O)CS1 ZINC000760131204 1301223927 /nfs/dbraw/zinc/22/39/27/1301223927.db2.gz KFGWLKAHHJNPPI-UHFFFAOYSA-N 1 0 338.498 3.499 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](CCCO)Cc2ccccc2)c1O ZINC000761193443 1301418055 /nfs/dbraw/zinc/41/80/55/1301418055.db2.gz DJTBWGNPOUEKBS-UHFFFAOYSA-N 1 0 335.831 3.439 20 10 EGCDRO CC(=O)Nc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000761221245 1301422641 /nfs/dbraw/zinc/42/26/41/1301422641.db2.gz CFNBGKVGDOVACR-UHFFFAOYSA-N 1 0 341.455 3.222 20 10 EGCDRO CCOc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c(O)c1 ZINC000761222096 1301423443 /nfs/dbraw/zinc/42/34/43/1301423443.db2.gz QLHRTBGRFHAMPQ-UHFFFAOYSA-N 1 0 344.455 3.368 20 10 EGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000762076211 1301608085 /nfs/dbraw/zinc/60/80/85/1301608085.db2.gz UFFWURXNBPYFMF-UHFFFAOYSA-N 1 0 331.460 3.380 20 10 EGCDRO O=C1O[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CC12CC2 ZINC000763732819 1301953431 /nfs/dbraw/zinc/95/34/31/1301953431.db2.gz WGRWUPACOZDBFN-INIZCTEOSA-N 1 0 327.380 3.083 20 10 EGCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccc1C ZINC000764151765 1302021929 /nfs/dbraw/zinc/02/19/29/1302021929.db2.gz ZSLUQNMQMUCUFH-UHFFFAOYSA-N 1 0 339.483 3.199 20 10 EGCDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000764640492 1302107598 /nfs/dbraw/zinc/10/75/98/1302107598.db2.gz WSLQLUCPQURQSA-MRXNPFEDSA-N 1 0 329.488 3.338 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000764741427 1302126574 /nfs/dbraw/zinc/12/65/74/1302126574.db2.gz DDQFZABBELQSID-VQTJNVASSA-N 1 0 333.520 3.150 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000764903654 1302161613 /nfs/dbraw/zinc/16/16/13/1302161613.db2.gz WMYHSAWSIOZCCF-MRXNPFEDSA-N 1 0 348.454 3.113 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccs1 ZINC000765246816 1302226618 /nfs/dbraw/zinc/22/66/18/1302226618.db2.gz WVCFMWAGUNHTBZ-ZBFHGGJFSA-N 1 0 343.496 3.301 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccsc1 ZINC000765252837 1302228639 /nfs/dbraw/zinc/22/86/39/1302228639.db2.gz JFHMXFHAPPZQSU-GDBMZVCRSA-N 1 0 343.496 3.301 20 10 EGCDRO C[NH+]1CCN(c2ccccc2NCc2cc(F)cc(F)c2O)CC1 ZINC000883078376 1302234345 /nfs/dbraw/zinc/23/43/45/1302234345.db2.gz PAMCXENNWLYCTE-UHFFFAOYSA-N 1 0 333.382 3.034 20 10 EGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000883081731 1302237215 /nfs/dbraw/zinc/23/72/15/1302237215.db2.gz NCWLVVMYINWBFO-UHFFFAOYSA-N 1 0 333.382 3.072 20 10 EGCDRO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000883145399 1302269924 /nfs/dbraw/zinc/26/99/24/1302269924.db2.gz ZDMAMTWSFONTIG-NSHDSACASA-N 1 0 345.256 3.115 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000765681220 1302305998 /nfs/dbraw/zinc/30/59/98/1302305998.db2.gz SVEZNWBWOZTWTI-FXAWDEMLSA-N 1 0 330.472 3.211 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765781735 1302325066 /nfs/dbraw/zinc/32/50/66/1302325066.db2.gz PTUJXAJUGCYPIH-CABCVRRESA-N 1 0 349.906 3.064 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000765844358 1302339572 /nfs/dbraw/zinc/33/95/72/1302339572.db2.gz DPUBSWQBLGHNRR-FZKQIMNGSA-N 1 0 329.400 3.045 20 10 EGCDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765949779 1302356608 /nfs/dbraw/zinc/35/66/08/1302356608.db2.gz CVNPAXSREMJNOO-KSSFIOAISA-N 1 0 340.895 3.234 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNCc3csc(C4CC4)n3)cc2)CC1 ZINC000883283481 1302359475 /nfs/dbraw/zinc/35/94/75/1302359475.db2.gz HLRDLCGMZPPZEB-UHFFFAOYSA-N 1 0 342.512 3.062 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnccn1 ZINC000765994743 1302365662 /nfs/dbraw/zinc/36/56/62/1302365662.db2.gz RNUDUMHDVHIIKN-CZUORRHYSA-N 1 0 346.862 3.151 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000766005932 1302366969 /nfs/dbraw/zinc/36/69/69/1302366969.db2.gz SULRSFGFYIEMOE-ULQDDVLXSA-N 1 0 331.504 3.362 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000766436630 1302452048 /nfs/dbraw/zinc/45/20/48/1302452048.db2.gz KRCDERHPABEUPP-PBHICJAKSA-N 1 0 333.451 3.087 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC000766492933 1302463019 /nfs/dbraw/zinc/46/30/19/1302463019.db2.gz ZPVGULIUCRJHCQ-CYBMUJFWSA-N 1 0 348.805 3.388 20 10 EGCDRO CCOc1cccc(CN2CC[NH+](CCc3ccccc3)CC2)c1O ZINC000768215669 1302858212 /nfs/dbraw/zinc/85/82/12/1302858212.db2.gz KTYKONJNIAUJOV-UHFFFAOYSA-N 1 0 340.467 3.151 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000768247729 1302866845 /nfs/dbraw/zinc/86/68/45/1302866845.db2.gz ZGDSXVMILMLHIK-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768440901 1302903772 /nfs/dbraw/zinc/90/37/72/1302903772.db2.gz APRGJHKWUJQXPB-MJGOQNOKSA-N 1 0 325.408 3.401 20 10 EGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768446655 1302906578 /nfs/dbraw/zinc/90/65/78/1302906578.db2.gz ZLQGHSOLTVYNPZ-GOSISDBHSA-N 1 0 344.499 3.399 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1)[C@@H](O)CO2 ZINC000768447300 1302907032 /nfs/dbraw/zinc/90/70/32/1302907032.db2.gz OCTOYPASWPLNTL-IBGZPJMESA-N 1 0 343.398 3.369 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)[C@H](O)CO2 ZINC000768447835 1302907515 /nfs/dbraw/zinc/90/75/15/1302907515.db2.gz PXRYTOVZXCQSHH-FUHWJXTLSA-N 1 0 347.361 3.433 20 10 EGCDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444309 1302907931 /nfs/dbraw/zinc/90/79/31/1302907931.db2.gz XGXHZWMBWKBDHU-IEBWSBKVSA-N 1 0 325.408 3.464 20 10 EGCDRO CCC[N@H+](CCc1cccc(F)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445740 1302908378 /nfs/dbraw/zinc/90/83/78/1302908378.db2.gz HGUGNCTWRQCYMW-IBGZPJMESA-N 1 0 345.414 3.412 20 10 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Cc1cc(Br)c(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000781912428 1304890408 /nfs/dbraw/zinc/89/04/08/1304890408.db2.gz PVKAMIUHGIPUII-KGLIPLIRSA-N 1 0 339.277 3.132 20 10 EGCDRO Cc1ccc([C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891250488 1305000263 /nfs/dbraw/zinc/00/02/63/1305000263.db2.gz AHEACNULCDCKLE-CRAIPNDOSA-N 1 0 343.471 3.177 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cnn(C2CCC2)c1)C[C@H]1CCCO1 ZINC000891468711 1305058417 /nfs/dbraw/zinc/05/84/17/1305058417.db2.gz WFNJDSHVZFSFMD-LJQANCHMSA-N 1 0 341.455 3.495 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000783626165 1305118937 /nfs/dbraw/zinc/11/89/37/1305118937.db2.gz JVUPJCHXWAGCOQ-RHSMWYFYSA-N 1 0 338.879 3.026 20 10 EGCDRO COc1ccc(C[N@@H+]2CCOc3ccccc3[C@H]2C)c(O)c1OC ZINC000891748589 1305155477 /nfs/dbraw/zinc/15/54/77/1305155477.db2.gz QYHADVKNHMUURV-CYBMUJFWSA-N 1 0 329.396 3.365 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2c(C)nc3sccn32)c(O)c1OC ZINC000891911715 1305207102 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Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000788754878 1306009658 /nfs/dbraw/zinc/00/96/58/1306009658.db2.gz CKYKXUMDJCSHJU-GFCCVEGCSA-N 1 0 339.482 3.325 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000893962846 1306149189 /nfs/dbraw/zinc/14/91/89/1306149189.db2.gz UCWXYRFVVJENFI-CYBMUJFWSA-N 1 0 344.402 3.373 20 10 EGCDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3cc(C)cc(OC)c3O)C2)c1 ZINC000894219136 1306285597 /nfs/dbraw/zinc/28/55/97/1306285597.db2.gz FPOQOWUYEABGDY-MRXNPFEDSA-N 1 0 342.439 3.086 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)c1O ZINC000894290886 1306323528 /nfs/dbraw/zinc/32/35/28/1306323528.db2.gz GCBZSSGTOLENEK-SFHVURJKSA-N 1 0 337.423 3.437 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCc2nc3c(cccc3C)o2)c1O ZINC000894305311 1306332858 /nfs/dbraw/zinc/33/28/58/1306332858.db2.gz XTEOMOFPYDIFIQ-UHFFFAOYSA-N 1 0 326.396 3.491 20 10 EGCDRO COc1ccc(C[NH2+]CC2(c3ccccn3)CCC2)c(O)c1OC ZINC000894426143 1308873210 /nfs/dbraw/zinc/87/32/10/1308873210.db2.gz FFAVEKSOLAOQDD-UHFFFAOYSA-N 1 0 328.412 3.016 20 10 EGCDRO CC[C@H](C[NH2+]Cc1cc(C)cc(OC)c1O)NC(=O)OC(C)(C)C ZINC000894880070 1309113097 /nfs/dbraw/zinc/11/30/97/1309113097.db2.gz CCDGOTCIDMEMMG-CQSZACIVSA-N 1 0 338.448 3.102 20 10 EGCDRO CN(C)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000792914725 1309258576 /nfs/dbraw/zinc/25/85/76/1309258576.db2.gz DXSFSKDFXGCAJB-DLBZAZTESA-N 1 0 341.421 3.488 20 10 EGCDRO C[C@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000792950851 1309269471 /nfs/dbraw/zinc/26/94/71/1309269471.db2.gz MCDVOGMXTLASPH-SUMWQHHRSA-N 1 0 340.414 3.271 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCOC[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000792986478 1309277069 /nfs/dbraw/zinc/27/70/69/1309277069.db2.gz NJBMBHYEMGSRSU-HNNXBMFYSA-N 1 0 346.393 3.057 20 10 EGCDRO CCCCC[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793066958 1309289193 /nfs/dbraw/zinc/28/91/93/1309289193.db2.gz OPFBSILCYCNXCL-UHFFFAOYSA-N 1 0 345.409 3.249 20 10 EGCDRO 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/nfs/dbraw/zinc/88/79/28/1320887928.db2.gz JETDXCVPWQQIKY-UHFFFAOYSA-N 1 0 348.434 3.119 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)ccc1N(C)C ZINC000839665428 1320954879 /nfs/dbraw/zinc/95/48/79/1320954879.db2.gz HWAYGCGBVSLTMN-SFHVURJKSA-N 1 0 329.488 3.038 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=S)Nc2ccsc2)[NH+](C)C)cc1 ZINC000899724419 1317138707 /nfs/dbraw/zinc/13/87/07/1317138707.db2.gz NFXFJWQUNPIABL-INIZCTEOSA-N 1 0 348.541 3.403 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000805747597 1317417019 /nfs/dbraw/zinc/41/70/19/1317417019.db2.gz DAPZLKLGGTXWBM-IUODEOHRSA-N 1 0 335.831 3.308 20 10 EGCDRO OC[C@H]([C@H]([NH2+]Cc1c(O)cccc1Br)C1CC1)C1CC1 ZINC000858172973 1328702877 /nfs/dbraw/zinc/70/28/77/1328702877.db2.gz MTNUAGINEFDQEB-XJKSGUPXSA-N 1 0 340.261 3.041 20 10 EGCDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000902761844 1317613319 /nfs/dbraw/zinc/61/33/19/1317613319.db2.gz ATKZPFJEROGWIE-CTNGQTDRSA-N 1 0 346.515 3.333 20 10 EGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808193513 1317643504 /nfs/dbraw/zinc/64/35/04/1317643504.db2.gz WTKJOYDUFHYBLR-PBHICJAKSA-N 1 0 332.488 3.454 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1c1cccs1 ZINC000808221649 1317646250 /nfs/dbraw/zinc/64/62/50/1317646250.db2.gz BQHOPKRCVVFZPO-WMLDXEAASA-N 1 0 331.437 3.463 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(Br)cc1O ZINC000903264144 1317682138 /nfs/dbraw/zinc/68/21/38/1317682138.db2.gz DOXIXEGTNBPJCH-PKPZWWHKSA-N 1 0 326.234 3.373 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000903407864 1317698057 /nfs/dbraw/zinc/69/80/57/1317698057.db2.gz QUEPJWLAUNESFK-QMTHXVAHSA-N 1 0 328.250 3.275 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1O ZINC000903448315 1317701821 /nfs/dbraw/zinc/70/18/21/1317701821.db2.gz MYDDFCGPHTXZHO-KXBFYZLASA-N 1 0 327.472 3.412 20 10 EGCDRO COc1cc([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC000903448309 1317701902 /nfs/dbraw/zinc/70/19/02/1317701902.db2.gz MXVRJNLPYNEHKJ-DNVCBOLYSA-N 1 0 342.487 3.110 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c1O ZINC000808697303 1317717174 /nfs/dbraw/zinc/71/71/74/1317717174.db2.gz BYMSCLNLJDTVAP-KBPBESRZSA-N 1 0 327.852 3.448 20 10 EGCDRO COc1ccc(N(CC2CC2)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903775100 1317732445 /nfs/dbraw/zinc/73/24/45/1317732445.db2.gz HUKRONODIYUYFP-IBGZPJMESA-N 1 0 330.472 3.070 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(C)CC=CC3)C2)cc1C ZINC001020546635 1317759817 /nfs/dbraw/zinc/75/98/17/1317759817.db2.gz SAFAPKZQGUYMGK-QAQDUYKDSA-N 1 0 328.456 3.097 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(Cl)[nH]3)C2)cc1C ZINC001020561066 1317773257 /nfs/dbraw/zinc/77/32/57/1317773257.db2.gz WFLWETSTDVNGCL-HDJSIYSDSA-N 1 0 347.846 3.036 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@]34C[C@H]3CCCC4)C2)cc1C ZINC001020566532 1317777942 /nfs/dbraw/zinc/77/79/42/1317777942.db2.gz PBZXBOATTIUCPR-NEYJZJCJSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)c3ccco3)C2)cc1C ZINC001020576836 1317786029 /nfs/dbraw/zinc/78/60/29/1317786029.db2.gz HJXIYDDMXGFERL-DJIMGWMZSA-N 1 0 342.439 3.137 20 10 EGCDRO CSC1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000809619042 1317846551 /nfs/dbraw/zinc/84/65/51/1317846551.db2.gz UKCJQXZOMSOVHS-HNNXBMFYSA-N 1 0 340.920 3.495 20 10 EGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000809716718 1317874933 /nfs/dbraw/zinc/87/49/33/1317874933.db2.gz YFEHYSGEZXCHTM-HNNXBMFYSA-N 1 0 341.293 3.427 20 10 EGCDRO CCOc1cccc(CN(CC[NH+](C)C)Cc2ccc(C)o2)c1O ZINC000809735618 1317883450 /nfs/dbraw/zinc/88/34/50/1317883450.db2.gz MJSOSMAZDKBGTA-UHFFFAOYSA-N 1 0 332.444 3.256 20 10 EGCDRO CCOc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccc(C)o2)c1 ZINC000809735427 1317883474 /nfs/dbraw/zinc/88/34/74/1317883474.db2.gz GSDJTQGUYVEIEX-UHFFFAOYSA-N 1 0 332.444 3.256 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810208246 1317976657 /nfs/dbraw/zinc/97/66/57/1317976657.db2.gz UNTNXTASAGWVQJ-ZDUSSCGKSA-N 1 0 332.366 3.224 20 10 EGCDRO CC[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810228444 1317981110 /nfs/dbraw/zinc/98/11/10/1317981110.db2.gz VHYHBIDBTPPWGO-CQSZACIVSA-N 1 0 347.377 3.241 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)c1ccc(C(F)(F)F)cc1O ZINC000810227879 1317981652 /nfs/dbraw/zinc/98/16/52/1317981652.db2.gz LYJYVRAQIQWJDF-WPGHFRTFSA-N 1 0 346.393 3.171 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cc1 ZINC000810242264 1317984408 /nfs/dbraw/zinc/98/44/08/1317984408.db2.gz OGHPQTCVNNIKFZ-HNNXBMFYSA-N 1 0 325.456 3.021 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCC1(F)F ZINC000811513416 1318191723 /nfs/dbraw/zinc/19/17/23/1318191723.db2.gz YZCDAWTWVMYEQC-CYBMUJFWSA-N 1 0 328.378 3.139 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccccc3F)C2)cc1C ZINC001021787149 1318683681 /nfs/dbraw/zinc/68/36/81/1318683681.db2.gz PHQRKDYDSYVYTP-IYBDPMFKSA-N 1 0 342.414 3.193 20 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/nfs/dbraw/zinc/90/20/45/1318902045.db2.gz IJQPTLRPPXIKHC-HOCLYGCPSA-N 1 0 335.444 3.393 20 10 EGCDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000815160340 1318917468 /nfs/dbraw/zinc/91/74/68/1318917468.db2.gz XEIYMBWARIJQEK-BEFAXECRSA-N 1 0 347.459 3.226 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC3(C)C)C2)cc1C ZINC001022569613 1318996635 /nfs/dbraw/zinc/99/66/35/1318996635.db2.gz GINWHISQWQQCQH-IXDOHACOSA-N 1 0 330.472 3.177 20 10 EGCDRO CC[S@@](=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815579665 1319019471 /nfs/dbraw/zinc/01/94/71/1319019471.db2.gz SCJZWNWUDMIPPT-FDDCHVKYSA-N 1 0 331.481 3.424 20 10 EGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCn1cncn1 ZINC000815604951 1319025364 /nfs/dbraw/zinc/02/53/64/1319025364.db2.gz GQZSLCSEEKDNOG-IBGZPJMESA-N 1 0 336.439 3.338 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@]3(C)C(C)C)C2)cc1C ZINC001022915648 1319167017 /nfs/dbraw/zinc/16/70/17/1319167017.db2.gz SGDONWRZONNXOH-NYUBLWNDSA-N 1 0 344.499 3.423 20 10 EGCDRO CCOC(=O)N1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816499219 1319167798 /nfs/dbraw/zinc/16/77/98/1319167798.db2.gz JEUJCMRPVUCVNE-UHFFFAOYSA-N 1 0 328.412 3.210 20 10 EGCDRO C[NH+]1CCN(c2ccc(NCc3ccc4ccccc4c3O)cn2)CC1 ZINC000816527945 1319175869 /nfs/dbraw/zinc/17/58/69/1319175869.db2.gz GIMLVFFQHUPOGL-UHFFFAOYSA-N 1 0 348.450 3.304 20 10 EGCDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816539536 1319178856 /nfs/dbraw/zinc/17/88/56/1319178856.db2.gz KHJJXKLIPFENJC-SFHVURJKSA-N 1 0 337.419 3.383 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(N2CCOC2=O)cc1 ZINC000816625554 1319197377 /nfs/dbraw/zinc/19/73/77/1319197377.db2.gz HNLKNTWRSABMIL-LBPRGKRZSA-N 1 0 330.359 3.339 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(F)s3)C2)cc1C ZINC001023158362 1319300752 /nfs/dbraw/zinc/30/07/52/1319300752.db2.gz NINALNVWGIHWCX-OKILXGFUSA-N 1 0 348.443 3.255 20 10 EGCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1CCNC(=O)CC1 ZINC000817295497 1319319298 /nfs/dbraw/zinc/31/92/98/1319319298.db2.gz ITVFJUFIZCHXBD-WBVHZDCISA-N 1 0 330.472 3.246 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H](CO)O1 ZINC000817412095 1319351234 /nfs/dbraw/zinc/35/12/34/1319351234.db2.gz CWULFAXSVXBZLK-SFHVURJKSA-N 1 0 327.424 3.031 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000817413431 1319354160 /nfs/dbraw/zinc/35/41/60/1319354160.db2.gz XTXLVFYJAAHIBU-SNVBAGLBSA-N 1 0 348.321 3.473 20 10 EGCDRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817585839 1319406498 /nfs/dbraw/zinc/40/64/98/1319406498.db2.gz JBEUWDHEKJMZRK-OAHLLOKOSA-N 1 0 336.451 3.008 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817888201 1319451217 /nfs/dbraw/zinc/45/12/17/1319451217.db2.gz JQRAYWYRIIPONB-HSALFYBXSA-N 1 0 345.556 3.250 20 10 EGCDRO C[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000817890873 1319453360 /nfs/dbraw/zinc/45/33/60/1319453360.db2.gz ATTAFCCPJARZEH-RVHYNSKXSA-N 1 0 337.467 3.319 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000817938409 1319466030 /nfs/dbraw/zinc/46/60/30/1319466030.db2.gz JYIMKWCIQWVQKF-IIBYNOLFSA-N 1 0 349.482 3.289 20 10 EGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(-c2ccccc2)c1 ZINC000817938639 1319467101 /nfs/dbraw/zinc/46/71/01/1319467101.db2.gz OTFHQGMKORQCOI-IERDGZPVSA-N 1 0 349.482 3.289 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000817938407 1319467399 /nfs/dbraw/zinc/46/73/99/1319467399.db2.gz JYIMKWCIQWVQKF-HRAATJIYSA-N 1 0 349.482 3.289 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)COC2 ZINC000817941134 1319469721 /nfs/dbraw/zinc/46/97/21/1319469721.db2.gz JDAHEYZTNWQKDY-VLIAUNLRSA-N 1 0 325.456 3.133 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000817943546 1319469761 /nfs/dbraw/zinc/46/97/61/1319469761.db2.gz VGTYJOWTYYBBJS-RTBURBONSA-N 1 0 341.503 3.387 20 10 EGCDRO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817942744 1319470019 /nfs/dbraw/zinc/47/00/19/1319470019.db2.gz QSMLQSSXPRAOKL-WBMJQRKESA-N 1 0 332.517 3.431 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000817941014 1319470545 /nfs/dbraw/zinc/47/05/45/1319470545.db2.gz IGTIIVFBSAJPAQ-HFSMHLIXSA-N 1 0 338.499 3.463 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CN)CC(C)C)c1O ZINC000817960361 1319478613 /nfs/dbraw/zinc/47/86/13/1319478613.db2.gz YEQFUMLLUJBISM-YPMHNXCESA-N 1 0 329.282 3.487 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817968062 1319480918 /nfs/dbraw/zinc/48/09/18/1319480918.db2.gz GRHZGIDUOHUHHO-KOLCDFICSA-N 1 0 331.229 3.087 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000818222444 1319522587 /nfs/dbraw/zinc/52/25/87/1319522587.db2.gz SWRXYDVMVIGUHT-INIZCTEOSA-N 1 0 341.455 3.105 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(C)ccc3O)C2)cc1 ZINC000818221885 1319522945 /nfs/dbraw/zinc/52/29/45/1319522945.db2.gz OWPMBDBHTUGHJP-INIZCTEOSA-N 1 0 326.440 3.325 20 10 EGCDRO COCc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000818222974 1319523193 /nfs/dbraw/zinc/52/31/93/1319523193.db2.gz ZNJOLDSDWJITAV-HNNXBMFYSA-N 1 0 330.428 3.051 20 10 EGCDRO CCn1cc([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000818345534 1319532530 /nfs/dbraw/zinc/53/25/30/1319532530.db2.gz VYOALSWWYNPPAX-JKSUJKDBSA-N 1 0 328.460 3.089 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[NH+]1CCCC1 ZINC000917391306 1319798835 /nfs/dbraw/zinc/79/88/35/1319798835.db2.gz OJNVZXRUVKUIMQ-UHFFFAOYSA-N 1 0 331.485 3.371 20 10 EGCDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)c1 ZINC000917485878 1319821045 /nfs/dbraw/zinc/82/10/45/1319821045.db2.gz JSSSYIYNPSLLLN-MRXNPFEDSA-N 1 0 341.407 3.337 20 10 EGCDRO CC(C)(C)CC[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000917643059 1319855807 /nfs/dbraw/zinc/85/58/07/1319855807.db2.gz NLLCLUKTKMUSFD-UHFFFAOYSA-N 1 0 345.531 3.077 20 10 EGCDRO CC[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023852289 1319989115 /nfs/dbraw/zinc/98/91/15/1319989115.db2.gz CXFJXQZUZXWCRD-YJBOKZPZSA-N 1 0 332.488 3.378 20 10 EGCDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000822129953 1320056509 /nfs/dbraw/zinc/05/65/09/1320056509.db2.gz YWGDLQKQESDBLH-CYBMUJFWSA-N 1 0 327.266 3.117 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000822503683 1320090286 /nfs/dbraw/zinc/09/02/86/1320090286.db2.gz LJFJAYLTTLCKPC-PKOBYXMFSA-N 1 0 338.451 3.107 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824721912 1320280426 /nfs/dbraw/zinc/28/04/26/1320280426.db2.gz KVHKCTWNETVSMP-RBSFLKMASA-N 1 0 325.836 3.180 20 10 EGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1Cl ZINC000824862043 1320292192 /nfs/dbraw/zinc/29/21/92/1320292192.db2.gz HHJCMUFZXKOHCP-GDBMZVCRSA-N 1 0 345.892 3.142 20 10 EGCDRO CCN1C[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1=O ZINC000824893583 1320293968 /nfs/dbraw/zinc/29/39/68/1320293968.db2.gz WHPJQFLJDQWDQJ-MRXNPFEDSA-N 1 0 343.496 3.095 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000824914812 1320295786 /nfs/dbraw/zinc/29/57/86/1320295786.db2.gz ZVFIYBPBTGYVLO-ZDUSSCGKSA-N 1 0 328.275 3.482 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000824953117 1320299882 /nfs/dbraw/zinc/29/98/82/1320299882.db2.gz HGQQRVKMQXJLKT-QFBILLFUSA-N 1 0 328.412 3.196 20 10 EGCDRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000825070591 1320308005 /nfs/dbraw/zinc/30/80/05/1320308005.db2.gz HXNNHQBGLZPWBL-KRWDZBQOSA-N 1 0 342.483 3.499 20 10 EGCDRO Cc1ncc(CC[NH2+]Cc2ccc(Br)cc2O)s1 ZINC000825375247 1320332760 /nfs/dbraw/zinc/33/27/60/1320332760.db2.gz KHQPZOYTPOQFQL-UHFFFAOYSA-N 1 0 327.247 3.252 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)=C3CCC3)cc2F)CC1 ZINC000825755854 1320360563 /nfs/dbraw/zinc/36/05/63/1320360563.db2.gz BNISFABRWINKTQ-UHFFFAOYSA-N 1 0 345.462 3.084 20 10 EGCDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000826994610 1320419092 /nfs/dbraw/zinc/41/90/92/1320419092.db2.gz LSWGAMBHYNRFBI-GOSISDBHSA-N 1 0 338.407 3.086 20 10 EGCDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827473371 1320455678 /nfs/dbraw/zinc/45/56/78/1320455678.db2.gz QGCCGTILTDJXFV-UHFFFAOYSA-N 1 0 331.504 3.286 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000837724080 1320674462 /nfs/dbraw/zinc/67/44/62/1320674462.db2.gz CLIBHNLGOIYHSE-LJQANCHMSA-N 1 0 346.519 3.157 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000840758139 1321142696 /nfs/dbraw/zinc/14/26/96/1321142696.db2.gz NIHHMXQRKVWMGL-SFHVURJKSA-N 1 0 347.409 3.437 20 10 EGCDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840765512 1321144054 /nfs/dbraw/zinc/14/40/54/1321144054.db2.gz WCTKUVFXDPMOSG-OIISXLGYSA-N 1 0 336.451 3.269 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000840866068 1321164874 /nfs/dbraw/zinc/16/48/74/1321164874.db2.gz IJQWJMWZZOHQAP-SMDDNHRTSA-N 1 0 349.427 3.273 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1 ZINC000840893306 1321171702 /nfs/dbraw/zinc/17/17/02/1321171702.db2.gz MMYSFYXNTGANOM-HNNXBMFYSA-N 1 0 338.517 3.008 20 10 EGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840892769 1321171881 /nfs/dbraw/zinc/17/18/81/1321171881.db2.gz CXFUTLNFQUBJFT-IAGOWNOFSA-N 1 0 333.520 3.229 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000840907435 1321174470 /nfs/dbraw/zinc/17/44/70/1321174470.db2.gz DXPFVDJKEZIHFE-UHFFFAOYSA-N 1 0 325.456 3.089 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000840916964 1321176669 /nfs/dbraw/zinc/17/66/69/1321176669.db2.gz MGEVURBPUPRPMR-UHFFFAOYSA-N 1 0 329.488 3.038 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000840929462 1321179584 /nfs/dbraw/zinc/17/95/84/1321179584.db2.gz LMRQWPPGRAADLN-UHFFFAOYSA-N 1 0 339.439 3.307 20 10 EGCDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840933871 1321180133 /nfs/dbraw/zinc/18/01/33/1321180133.db2.gz KKOSYTDPQXHUKP-UHFFFAOYSA-N 1 0 333.520 3.040 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCNC(=O)c1cccs1 ZINC000840933969 1321180377 /nfs/dbraw/zinc/18/03/77/1321180377.db2.gz KGVWQLZGHMLDBH-UHFFFAOYSA-N 1 0 331.485 3.032 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)c1O ZINC000840977519 1321192275 /nfs/dbraw/zinc/19/22/75/1321192275.db2.gz VFRNSARNHLJLJS-OAHLLOKOSA-N 1 0 328.456 3.496 20 10 EGCDRO COCC[NH2+]CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841005131 1321197899 /nfs/dbraw/zinc/19/78/99/1321197899.db2.gz XSHQRYXOMDVPPK-UHFFFAOYSA-N 1 0 341.415 3.460 20 10 EGCDRO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841043685 1321208776 /nfs/dbraw/zinc/20/87/76/1321208776.db2.gz QCEOAQFDMVTVRB-FQEVSTJZSA-N 1 0 349.482 3.241 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000841046178 1321209283 /nfs/dbraw/zinc/20/92/83/1321209283.db2.gz XLEWGNSMMOBXLA-IBGZPJMESA-N 1 0 339.483 3.256 20 10 EGCDRO C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841309125 1321252491 /nfs/dbraw/zinc/25/24/91/1321252491.db2.gz XIVYVBMCJJQGJN-UHFFFAOYSA-N 1 0 338.455 3.328 20 10 EGCDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841746305 1321305727 /nfs/dbraw/zinc/30/57/27/1321305727.db2.gz XWIXXYVDMYZNEX-LBPRGKRZSA-N 1 0 339.844 3.170 20 10 EGCDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793495 1321313077 /nfs/dbraw/zinc/31/30/77/1321313077.db2.gz LNLYONLDTCLLIJ-GOSISDBHSA-N 1 0 346.519 3.096 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000841925535 1321330013 /nfs/dbraw/zinc/33/00/13/1321330013.db2.gz FUXBVNLOEUUILM-CVEARBPZSA-N 1 0 333.476 3.092 20 10 EGCDRO CCC([NH3+])(CC)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000841955344 1321331925 /nfs/dbraw/zinc/33/19/25/1321331925.db2.gz ZTVRKFIDINMMEK-UHFFFAOYSA-N 1 0 334.508 3.190 20 10 EGCDRO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000841958846 1321332484 /nfs/dbraw/zinc/33/24/84/1321332484.db2.gz KWFOHHCVJPQMIF-KRWDZBQOSA-N 1 0 334.508 3.190 20 10 EGCDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000842010333 1321334864 /nfs/dbraw/zinc/33/48/64/1321334864.db2.gz JLLSIZGEPOAMCP-NVXWUHKLSA-N 1 0 345.487 3.364 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C(=O)NCc1cccs1 ZINC000842749355 1321427667 /nfs/dbraw/zinc/42/76/67/1321427667.db2.gz XDDLNRZOGITRDW-INIZCTEOSA-N 1 0 332.469 3.255 20 10 EGCDRO CC[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000843051347 1321462294 /nfs/dbraw/zinc/46/22/94/1321462294.db2.gz WXBRFPSZADHZOR-BLLLJJGKSA-N 1 0 329.410 3.331 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843052536 1321462358 /nfs/dbraw/zinc/46/23/58/1321462358.db2.gz VNABLLHUOSFTPM-NEPJUHHUSA-N 1 0 327.266 3.022 20 10 EGCDRO CCOc1cccc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1O ZINC000843117346 1321473641 /nfs/dbraw/zinc/47/36/41/1321473641.db2.gz JVXRWLAGXUMEQZ-KRWDZBQOSA-N 1 0 330.403 3.077 20 10 EGCDRO CCN(C(=O)CN1CCCc2cc(C[NH3+])ccc21)C1CCCCC1 ZINC000843349745 1321503381 /nfs/dbraw/zinc/50/33/81/1321503381.db2.gz KKZZMZWJICBEQM-UHFFFAOYSA-N 1 0 329.488 3.079 20 10 EGCDRO CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CC[N@H+](C)C1 ZINC000843991446 1321564729 /nfs/dbraw/zinc/56/47/29/1321564729.db2.gz KAEUYCAFHXYRPZ-KRWDZBQOSA-N 1 0 340.471 3.045 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)[C@H](C)CO1 ZINC000844390828 1321598790 /nfs/dbraw/zinc/59/87/90/1321598790.db2.gz KOJCQQUAGYMMHT-VQIMIIECSA-N 1 0 332.488 3.301 20 10 EGCDRO C[NH+](C)CCc1ccccc1NC(=O)NCc1cc(Cl)ccc1O ZINC000844642128 1321629386 /nfs/dbraw/zinc/62/93/86/1321629386.db2.gz UHQJESLAQNVGML-UHFFFAOYSA-N 1 0 347.846 3.471 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(Cl)nc(Cl)n2C)c1 ZINC000845971670 1321759949 /nfs/dbraw/zinc/75/99/49/1321759949.db2.gz AVZMCJOOAIDJDI-QMMMGPOBSA-N 1 0 330.215 3.292 20 10 EGCDRO O=C1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CN1C1CC1 ZINC000846076007 1321767267 /nfs/dbraw/zinc/76/72/67/1321767267.db2.gz ZGYIMZASQAEFLF-OAHLLOKOSA-N 1 0 336.435 3.160 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCCn2cnc3ccccc32)c1O ZINC000846137322 1321770039 /nfs/dbraw/zinc/77/00/39/1321770039.db2.gz NQIYREUIKZWGNB-AWEZNQCLSA-N 1 0 325.412 3.491 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000846135056 1321770110 /nfs/dbraw/zinc/77/01/10/1321770110.db2.gz AMQJKLCUNFGUEW-NVXWUHKLSA-N 1 0 326.440 3.326 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000846135055 1321770132 /nfs/dbraw/zinc/77/01/32/1321770132.db2.gz AMQJKLCUNFGUEW-DOTOQJQBSA-N 1 0 326.440 3.326 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c1O ZINC000846135957 1321770331 /nfs/dbraw/zinc/77/03/31/1321770331.db2.gz DOJQABSXZLPUBN-SUMWQHHRSA-N 1 0 332.419 3.493 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000846141934 1321770603 /nfs/dbraw/zinc/77/06/03/1321770603.db2.gz BXQRVIGWYHVINC-HIFRSBDPSA-N 1 0 333.403 3.042 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1O ZINC000846143257 1321771238 /nfs/dbraw/zinc/77/12/38/1321771238.db2.gz YTFUCMQIHHKSQR-GFCCVEGCSA-N 1 0 348.830 3.135 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000846143714 1321771502 /nfs/dbraw/zinc/77/15/02/1321771502.db2.gz GDCZBJBUAAWMMU-CHWSQXEVSA-N 1 0 340.423 3.332 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1O ZINC000846150986 1321772084 /nfs/dbraw/zinc/77/20/84/1321772084.db2.gz RBVKFPLQRIKILM-AWEZNQCLSA-N 1 0 346.471 3.233 20 10 EGCDRO c1cn2c(n1)[C@H]([NH2+]Cc1ccc(N3CCSCC3)cc1)CCC2 ZINC000848521831 1321968199 /nfs/dbraw/zinc/96/81/99/1321968199.db2.gz RZTSRNRSOMEINX-QGZVFWFLSA-N 1 0 328.485 3.061 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c1O ZINC000848892594 1322032610 /nfs/dbraw/zinc/03/26/10/1322032610.db2.gz BIFXPVGMDGTXFZ-HXUWFJFHSA-N 1 0 340.467 3.118 20 10 EGCDRO CCc1cccc(C[NH2+]CCc2ccc(NC(=O)OC)cc2)c1O ZINC000848897847 1322037676 /nfs/dbraw/zinc/03/76/76/1322037676.db2.gz NHKPKKNBLOFFBY-UHFFFAOYSA-N 1 0 328.412 3.465 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000848901108 1322038487 /nfs/dbraw/zinc/03/84/87/1322038487.db2.gz UDHNCUAVTKZDIH-CQSZACIVSA-N 1 0 346.377 3.128 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2nc3cc(OC)ccc3n2C)c1O ZINC000848902431 1322039285 /nfs/dbraw/zinc/03/92/85/1322039285.db2.gz DFMBPZYCZQGGBZ-UHFFFAOYSA-N 1 0 325.412 3.140 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000848904913 1322040738 /nfs/dbraw/zinc/04/07/38/1322040738.db2.gz CLUAFBIWOHGGLE-QUCCMNQESA-N 1 0 329.415 3.350 20 10 EGCDRO CCc1cccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000848905994 1322042050 /nfs/dbraw/zinc/04/20/50/1322042050.db2.gz PDCRDCGPVJVMDH-SFHVURJKSA-N 1 0 330.472 3.368 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1 ZINC000848918657 1322045658 /nfs/dbraw/zinc/04/56/58/1322045658.db2.gz HLPCURLPHZBSHU-LJQANCHMSA-N 1 0 343.515 3.269 20 10 EGCDRO COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2)c(O)c(C(C)(C)C)c1 ZINC000850091902 1322192432 /nfs/dbraw/zinc/19/24/32/1322192432.db2.gz COWYZKILMACOCA-AWEZNQCLSA-N 1 0 331.460 3.321 20 10 EGCDRO COc1cc(C[NH2+]CC2([S@@](C)=O)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850283384 1322222465 /nfs/dbraw/zinc/22/24/65/1322222465.db2.gz BPPVRXIEPJCJLS-HSZRJFAPSA-N 1 0 339.501 3.089 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3nccc4ccccc43)cc2)CC1 ZINC000850405733 1322240187 /nfs/dbraw/zinc/24/01/87/1322240187.db2.gz BGMREDZDDKMXNF-UHFFFAOYSA-N 1 0 347.462 3.486 20 10 EGCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406426 1322240512 /nfs/dbraw/zinc/24/05/12/1322240512.db2.gz GOMDRSHOCROVEY-UHFFFAOYSA-N 1 0 344.430 3.085 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000850416854 1322243015 /nfs/dbraw/zinc/24/30/15/1322243015.db2.gz QTUAOODCGMPTPT-SFHVURJKSA-N 1 0 326.440 3.155 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c(O)c1 ZINC000850418993 1322244198 /nfs/dbraw/zinc/24/41/98/1322244198.db2.gz SCOOXGWXLGTYLH-INIZCTEOSA-N 1 0 341.329 3.031 20 10 EGCDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000850557858 1322267251 /nfs/dbraw/zinc/26/72/51/1322267251.db2.gz YVUVFWQJUQQFQR-WCQYABFASA-N 1 0 327.266 3.290 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1 ZINC000850563473 1322269095 /nfs/dbraw/zinc/26/90/95/1322269095.db2.gz YPTFTNYCZGHXTJ-OXJNMPFZSA-N 1 0 334.504 3.361 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cn1 ZINC000850567449 1322269134 /nfs/dbraw/zinc/26/91/34/1322269134.db2.gz CHJXHVVSSKQCHP-IBGZPJMESA-N 1 0 343.446 3.423 20 10 EGCDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565180 1322269176 /nfs/dbraw/zinc/26/91/76/1322269176.db2.gz BYDVLBPBBOYRTG-INIZCTEOSA-N 1 0 328.456 3.352 20 10 EGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000850567858 1322269202 /nfs/dbraw/zinc/26/92/02/1322269202.db2.gz KYNIBLJRRAUOLF-KRWDZBQOSA-N 1 0 346.515 3.475 20 10 EGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000850568359 1322269710 /nfs/dbraw/zinc/26/97/10/1322269710.db2.gz WFCOYDUTGJHJAB-UXHICEINSA-N 1 0 344.499 3.085 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)CC1 ZINC000850568413 1322269746 /nfs/dbraw/zinc/26/97/46/1322269746.db2.gz XBEZJIUEFVDKTO-LJQANCHMSA-N 1 0 326.440 3.408 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000921609525 1322363612 /nfs/dbraw/zinc/36/36/12/1322363612.db2.gz OIFKQLJBROJMED-UHFFFAOYSA-N 1 0 328.368 3.218 20 10 EGCDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+][C@H](C)c1ccccc1O ZINC000922328962 1322502807 /nfs/dbraw/zinc/50/28/07/1322502807.db2.gz KHNQXJMVOJVRQC-ZIAGYGMSSA-N 1 0 329.396 3.183 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@@H](c3ccccn3)C3CC3)cc2)CC1 ZINC000922581102 1322562809 /nfs/dbraw/zinc/56/28/09/1322562809.db2.gz HSDSPOMEFCOFFY-OAQYLSRUSA-N 1 0 337.467 3.284 20 10 EGCDRO CC(C)[C@@H]([NH2+]Cc1c(O)cccc1Br)c1cnn(C)c1 ZINC000922890267 1322641966 /nfs/dbraw/zinc/64/19/66/1322641966.db2.gz KNMCKABYLAYJQY-OAHLLOKOSA-N 1 0 338.249 3.375 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853092583 1323277600 /nfs/dbraw/zinc/27/76/00/1323277600.db2.gz BWFDVFMKOTYKOI-ZDUSSCGKSA-N 1 0 326.843 3.396 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C)cc1C ZINC001025043240 1323847774 /nfs/dbraw/zinc/84/77/74/1323847774.db2.gz PTQFQKSKPKERDI-ZTFGCOKTSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(F)=C(C)C)C2)cc1C ZINC001026774795 1325016125 /nfs/dbraw/zinc/01/61/25/1325016125.db2.gz GWXIXBSRMWRTOB-INIZCTEOSA-N 1 0 334.435 3.205 20 10 EGCDRO C[NH2+]C[C@H](C)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000853248349 1325071777 /nfs/dbraw/zinc/07/17/77/1325071777.db2.gz DLKSQZVMTAGOIK-ZDUSSCGKSA-N 1 0 340.309 3.137 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1OC ZINC000853572222 1325125680 /nfs/dbraw/zinc/12/56/80/1325125680.db2.gz QNCVZRURFMCACS-WMLDXEAASA-N 1 0 335.444 3.191 20 10 EGCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)CC4CC4)C3)C2)cc1C ZINC000963484957 1325277919 /nfs/dbraw/zinc/27/79/19/1325277919.db2.gz OYNFVWYLBQBDGU-UHFFFAOYSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1cc(CCC[NH2+]Cc2ccc3c(c2)CCO3)cc(OC)c1O ZINC000856811535 1325531241 /nfs/dbraw/zinc/53/12/41/1325531241.db2.gz BTMKCPQAZVVWIW-UHFFFAOYSA-N 1 0 343.423 3.067 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1F ZINC000862374239 1329479655 /nfs/dbraw/zinc/47/96/55/1329479655.db2.gz JWLGKNRHXIMUSK-HXUWFJFHSA-N 1 0 346.421 3.167 20 10 EGCDRO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1(C)COC1 ZINC000862478112 1329489514 /nfs/dbraw/zinc/48/95/14/1329489514.db2.gz XTWDXEBOMUNWSF-UHFFFAOYSA-N 1 0 327.424 3.440 20 10 EGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(C)cc(OC)c1O ZINC000863294611 1329544235 /nfs/dbraw/zinc/54/42/35/1329544235.db2.gz KFNRJIDEXUBQOE-UHFFFAOYSA-N 1 0 338.448 3.056 20 10 EGCDRO C[C@@H](C[N@H+](C)Cc1c(O)ccc2ccncc21)NC(=O)OC(C)(C)C ZINC000863332407 1329547223 /nfs/dbraw/zinc/54/72/23/1329547223.db2.gz FPXDRHLIPCZHTG-ZDUSSCGKSA-N 1 0 345.443 3.285 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000866376841 1330103806 /nfs/dbraw/zinc/10/38/06/1330103806.db2.gz CMZNTQJNOBFNQR-QLIIJSOBSA-N 1 0 342.483 3.069 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCc4ncccc43)cc2)CC1 ZINC000866391807 1330105743 /nfs/dbraw/zinc/10/57/43/1330105743.db2.gz QAUKFQGQRRQADT-NRFANRHFSA-N 1 0 337.467 3.210 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ncccc43)cc2)CC1 ZINC000866391808 1330105780 /nfs/dbraw/zinc/10/57/80/1330105780.db2.gz QAUKFQGQRRQADT-OAQYLSRUSA-N 1 0 337.467 3.210 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)c(O)c1 ZINC000866473979 1330116758 /nfs/dbraw/zinc/11/67/58/1330116758.db2.gz JHCJYVHVRDAMTP-OAHLLOKOSA-N 1 0 343.496 3.500 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2CCCC2)cc1C ZINC001034839908 1342794400 /nfs/dbraw/zinc/79/44/00/1342794400.db2.gz KPALBJDCAGGFPC-GOSISDBHSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc[nH]c2C)cc1C ZINC001034902649 1342828739 /nfs/dbraw/zinc/82/87/39/1342828739.db2.gz ONXVCKVJNHKKQJ-QGZVFWFLSA-N 1 0 341.455 3.035 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CCC3)C[C@@H]2C)cc1C ZINC001035883662 1343247367 /nfs/dbraw/zinc/24/73/67/1343247367.db2.gz XMQYBGCJKZPULB-MAUKXSAKSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)C)C[C@@H]2C)cc1C ZINC001036269793 1343387702 /nfs/dbraw/zinc/38/77/02/1343387702.db2.gz ZYLAZXXHERWZLN-DOTOQJQBSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)C3CC3)C2)cc1C ZINC001036349612 1343434815 /nfs/dbraw/zinc/43/48/15/1343434815.db2.gz KJSQBVBMBWWYQL-YJBOKZPZSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC3CC3)[C@@H](C)C2)cc1C ZINC001044403360 1346317551 /nfs/dbraw/zinc/31/75/51/1346317551.db2.gz HCEDTDUNBXTCLP-MAUKXSAKSA-N 1 0 330.472 3.273 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC3CC3)[C@H](C)C2)cc1C ZINC001044403362 1346317779 /nfs/dbraw/zinc/31/77/79/1346317779.db2.gz HCEDTDUNBXTCLP-QAPCUYQASA-N 1 0 330.472 3.273 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C3(CF)CC3)C2)cc1C ZINC001047970544 1347429032 /nfs/dbraw/zinc/42/90/32/1347429032.db2.gz WTHUFSBSQDFCMC-RDJZCZTQSA-N 1 0 348.462 3.080 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(F)=C(C)C)C[C@H]2C)cc1C ZINC001048205230 1347493911 /nfs/dbraw/zinc/49/39/11/1347493911.db2.gz VUOYRUADUKCPNP-WBVHZDCISA-N 1 0 348.462 3.451 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C)CC2)cc1C ZINC001050286795 1348227129 /nfs/dbraw/zinc/22/71/29/1348227129.db2.gz MGXNGKUDAXASMR-YCEFEEMOSA-N 1 0 344.499 3.424 20 10 EGCDRO CCC(CC)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001054411862 1349353637 /nfs/dbraw/zinc/35/36/37/1349353637.db2.gz NMMITLBGLNYNKW-MAUKXSAKSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1C ZINC001075227510 1356351622 /nfs/dbraw/zinc/35/16/22/1356351622.db2.gz VQLRHICGWUHAOH-WMZOPIPTSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@H]2C)cc1C ZINC001082777022 1358090458 /nfs/dbraw/zinc/09/04/58/1358090458.db2.gz CPVLDCFTEOAKCJ-JFIYKMOQSA-N 1 0 332.488 3.232 20 10 EGCDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323844448 1387471763 /nfs/dbraw/zinc/47/17/63/1387471763.db2.gz KBJLZPNZPTUFPB-INIZCTEOSA-N 1 0 342.462 3.166 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3=CCCC3)C2)cc1C ZINC001090980245 1360968080 /nfs/dbraw/zinc/96/80/80/1360968080.db2.gz LJWKDAIPGCSPML-UHFFFAOYSA-N 1 0 328.456 3.098 20 10 EGCDRO CN(C)C(=O)C1([NH2+]Cc2ccc(N3CCCC3)cc2)CCCCC1 ZINC001324437844 1387623444 /nfs/dbraw/zinc/62/34/44/1387623444.db2.gz DDRWYKYKKHHJFP-UHFFFAOYSA-N 1 0 329.488 3.168 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2CC2)C3)cc1C ZINC001099357582 1363770393 /nfs/dbraw/zinc/77/03/93/1363770393.db2.gz ZYQZXFSECZULFE-RXVVDRJESA-N 1 0 342.483 3.132 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3(C4CC4)CC3)C2)cc1C ZINC001100433101 1364112970 /nfs/dbraw/zinc/11/29/70/1364112970.db2.gz PVAHVERZBJFDIG-UHFFFAOYSA-N 1 0 342.483 3.178 20 10 EGCDRO C[C@H]1CCc2nc(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)sc2C1 ZINC001325319531 1387933001 /nfs/dbraw/zinc/93/30/01/1387933001.db2.gz LGSKPNCTOQATPL-XJKSGUPXSA-N 1 0 344.528 3.124 20 10 EGCDRO CCCCC[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001198323735 1369009562 /nfs/dbraw/zinc/00/95/62/1369009562.db2.gz DHGDPZSVNJZFIO-UHFFFAOYSA-N 1 0 345.447 3.187 20 10 EGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C3(CCF)CC3)CC2)cc1C ZINC001201794571 1369624874 /nfs/dbraw/zinc/62/48/74/1369624874.db2.gz WNFFQZFCZZJILA-UHFFFAOYSA-N 1 0 348.462 3.224 20 10 EGCDRO COC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001203555871 1370168205 /nfs/dbraw/zinc/16/82/05/1370168205.db2.gz IBNJKWCFQGZYHN-UHFFFAOYSA-N 1 0 341.407 3.222 20 10 EGCDRO Oc1ccccc1C[NH+]1CCC(Oc2ncnc3ccccc32)CC1 ZINC001203561289 1370169870 /nfs/dbraw/zinc/16/98/70/1370169870.db2.gz PGFHMIILFWYULR-UHFFFAOYSA-N 1 0 335.407 3.379 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC001203602391 1370184650 /nfs/dbraw/zinc/18/46/50/1370184650.db2.gz TVMPCJPLZWUSRS-UHFFFAOYSA-N 1 0 344.430 3.248 20 10 EGCDRO CCOc1cccc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c1O ZINC001203617113 1370189241 /nfs/dbraw/zinc/18/92/41/1370189241.db2.gz HOPSSKLJXGUWMH-IRXDYDNUSA-N 1 0 336.451 3.189 20 10 EGCDRO CCCc1noc(C2CC[NH+](Cc3ccc(OC)cc3O)CC2)n1 ZINC001203629170 1370193030 /nfs/dbraw/zinc/19/30/30/1370193030.db2.gz RRVUXHYFTZMXFR-UHFFFAOYSA-N 1 0 331.416 3.116 20 10 EGCDRO COc1ccc(C[NH+]2CCC3(COc4ccccc43)CC2)c(O)c1 ZINC001203634343 1370195379 /nfs/dbraw/zinc/19/53/79/1370195379.db2.gz AFINTZLDNCTYQU-UHFFFAOYSA-N 1 0 325.408 3.327 20 10 EGCDRO Oc1ccc(Br)cc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001203645384 1370199628 /nfs/dbraw/zinc/19/96/28/1370199628.db2.gz FZGHAJBCYLQXGP-UHFFFAOYSA-N 1 0 348.244 3.324 20 10 EGCDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665218 1370209059 /nfs/dbraw/zinc/20/90/59/1370209059.db2.gz CASXGYHOGKXIDE-CQSZACIVSA-N 1 0 334.803 3.103 20 10 EGCDRO COc1ccc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c1 ZINC001203672795 1370211758 /nfs/dbraw/zinc/21/17/58/1370211758.db2.gz DTOUDFKPMKZERA-BPAFIMBUSA-N 1 0 331.456 3.428 20 10 EGCDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937683 1370321965 /nfs/dbraw/zinc/32/19/65/1370321965.db2.gz LOPCJRBKUBSTMD-DOTOQJQBSA-N 1 0 347.503 3.488 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)cc1 ZINC001203946595 1370325140 /nfs/dbraw/zinc/32/51/40/1370325140.db2.gz XAMVILVWUKZSDC-IBGZPJMESA-N 1 0 340.471 3.285 20 10 EGCDRO CCOc1cc(CN2CCCc3cc(O)c(O)cc3C2)ccc1O ZINC001204133233 1370386231 /nfs/dbraw/zinc/38/62/31/1370386231.db2.gz NYYVZMIQSUMHSC-UHFFFAOYSA-N 1 0 329.396 3.151 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c2ccccc21 ZINC001204233758 1370416914 /nfs/dbraw/zinc/41/69/14/1370416914.db2.gz VCHSANCZVKPCMP-KRWDZBQOSA-N 1 0 338.373 3.405 20 10 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C[C@@H]1C[N@H+](Cc2c([O-])cc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001206012743 1370937655 /nfs/dbraw/zinc/93/76/55/1370937655.db2.gz NKVWVATVXJOOBL-MNOVXSKESA-N 1 0 345.256 3.101 20 10 EGCDRO COc1ccc(N2CC[NH+](CCc3cccc(C)c3)CC2)c(OC)c1 ZINC001207537185 1371428898 /nfs/dbraw/zinc/42/88/98/1371428898.db2.gz XFGKXJKVDUWLRP-UHFFFAOYSA-N 1 0 340.467 3.377 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CC2(C)CCOCC2)C1 ZINC001207969616 1371554833 /nfs/dbraw/zinc/55/48/33/1371554833.db2.gz PHAATGAJXWODRF-UHFFFAOYSA-N 1 0 328.456 3.362 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC001209517390 1372127139 /nfs/dbraw/zinc/12/71/39/1372127139.db2.gz DOFYLEXYHKEBIY-UHFFFAOYSA-N 1 0 337.467 3.196 20 10 EGCDRO CN1CCCc2cc(CN3CC[NH2+][C@@H](Cc4ccccc4)C3)ccc21 ZINC001210310513 1372322123 /nfs/dbraw/zinc/32/21/23/1372322123.db2.gz DZBUEIHANQXGQQ-NRFANRHFSA-N 1 0 335.495 3.086 20 10 EGCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCC[C@@]34CC[NH2+]C4)ccc21 ZINC001218093060 1373559096 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Oc1cc(O)c(C[NH+]2CCC(COc3ccccc3)CC2)cc1O ZINC001233485518 1376653166 /nfs/dbraw/zinc/65/31/66/1376653166.db2.gz ZHPFOQUUEOTXBC-UHFFFAOYSA-N 1 0 329.396 3.094 20 10 EGCDRO COc1ccccc1S[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487281 1376653242 /nfs/dbraw/zinc/65/32/42/1376653242.db2.gz XLLVRXPCFVPLEN-CYBMUJFWSA-N 1 0 347.436 3.179 20 10 EGCDRO C[C@H]1OC2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c2ccccc21 ZINC001233487706 1376653422 /nfs/dbraw/zinc/65/34/22/1376653422.db2.gz PABCSCZOPWEINL-CYBMUJFWSA-N 1 0 341.407 3.386 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@]3(C2)CCCCO3)cccc1OC(F)(F)F ZINC001233737150 1376706406 /nfs/dbraw/zinc/70/64/06/1376706406.db2.gz XIJQGRNGGMNWCP-HNNXBMFYSA-N 1 0 331.334 3.436 20 10 EGCDRO Oc1cccc(Br)c1CN1CCCCC12CC[NH2+]CC2 ZINC001235189605 1376856622 /nfs/dbraw/zinc/85/66/22/1376856622.db2.gz NJSZWEIOVOYFGV-UHFFFAOYSA-N 1 0 339.277 3.263 20 10 EGCDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(C(C)C)cc1O)C2 ZINC001237052669 1376971457 /nfs/dbraw/zinc/97/14/57/1376971457.db2.gz 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ZINC001137839081 1377627099 /nfs/dbraw/zinc/62/70/99/1377627099.db2.gz QMADFJCZAQGITO-QGZVFWFLSA-N 1 0 328.431 3.485 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001138094315 1377676073 /nfs/dbraw/zinc/67/60/73/1377676073.db2.gz DAEPUXKCPUGDBI-UHFFFAOYSA-N 1 0 326.440 3.416 20 10 EGCDRO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCc3cccc(O)c3C2)c1C ZINC001138139950 1377684189 /nfs/dbraw/zinc/68/41/89/1377684189.db2.gz SUMUMGQESVBXFF-UHFFFAOYSA-N 1 0 328.412 3.072 20 10 EGCDRO CCc1ncnc2c1CC[N@H+](Cc1c(C)n(C)c3ccccc31)CC2 ZINC001138255527 1377694941 /nfs/dbraw/zinc/69/49/41/1377694941.db2.gz KDUFCCVFPYRDGB-UHFFFAOYSA-N 1 0 334.467 3.440 20 10 EGCDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138356364 1377708595 /nfs/dbraw/zinc/70/85/95/1377708595.db2.gz MRMPFCYUYYOUMV-UHFFFAOYSA-N 1 0 345.487 3.122 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CC[C@@]1(O)C(F)(F)F ZINC001138354601 1377708856 /nfs/dbraw/zinc/70/88/56/1377708856.db2.gz PASYDHOVBLREKH-DYVFJYSZSA-N 1 0 342.405 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3.409 20 10 EGCDRO Oc1ccc(F)cc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140060273 1377998609 /nfs/dbraw/zinc/99/86/09/1377998609.db2.gz SUVYUWQWLFOQGJ-HKUYNNGSSA-N 1 0 340.442 3.485 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC001140182192 1378026939 /nfs/dbraw/zinc/02/69/39/1378026939.db2.gz JYUNRJQDSCNCRW-HNNXBMFYSA-N 1 0 334.460 3.450 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1O ZINC001140180255 1378027081 /nfs/dbraw/zinc/02/70/81/1378027081.db2.gz DBJLZVZLXLMHRN-HZPDHXFCSA-N 1 0 343.496 3.029 20 10 EGCDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184754 1378028086 /nfs/dbraw/zinc/02/80/86/1378028086.db2.gz GZUFXFWDHLTCLJ-OAHLLOKOSA-N 1 0 328.412 3.066 20 10 EGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140185188 1378028420 /nfs/dbraw/zinc/02/84/20/1378028420.db2.gz REXQKEBMTRJPJY-INIZCTEOSA-N 1 0 327.428 3.151 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3c[nH]c4cccc(O)c34)CC2)cc1 ZINC001140231974 1378034362 /nfs/dbraw/zinc/03/43/62/1378034362.db2.gz UOBSOXZMZHOPQT-UHFFFAOYSA-N 1 0 337.423 3.204 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CN3CCC(F)(F)[C@H](F)C3)cc2)CC1 ZINC001140302572 1378042768 /nfs/dbraw/zinc/04/27/68/1378042768.db2.gz VBILOSYIQLXVCQ-QGZVFWFLSA-N 1 0 341.421 3.008 20 10 EGCDRO CCn1cc2c(n1)CN(Cc1c(O)cccc1Cl)C[C@H]2COC ZINC001140338415 1378048702 /nfs/dbraw/zinc/04/87/02/1378048702.db2.gz ISMQUTQLASDKDD-LBPRGKRZSA-N 1 0 335.835 3.008 20 10 EGCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC001140342396 1378049989 /nfs/dbraw/zinc/04/99/89/1378049989.db2.gz HQGTYKQAVKUZNM-CYBMUJFWSA-N 1 0 348.830 3.493 20 10 EGCDRO CN(CC[N@H+](C)Cc1ccc(Cl)cc1O)C(=O)OC(C)(C)C ZINC001140461166 1378066053 /nfs/dbraw/zinc/06/60/53/1378066053.db2.gz GASHUNVGCGNRJG-UHFFFAOYSA-N 1 0 328.840 3.344 20 10 EGCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140466578 1378068890 /nfs/dbraw/zinc/06/88/90/1378068890.db2.gz HIKHIMHSQFAFQZ-KDOFPFPSSA-N 1 0 339.863 3.453 20 10 EGCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467675 1378069206 /nfs/dbraw/zinc/06/92/06/1378069206.db2.gz UWTHPJNJLCMOIC-DLBZAZTESA-N 1 0 325.836 3.063 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3)CC2)cc1 ZINC001140576367 1378088354 /nfs/dbraw/zinc/08/83/54/1378088354.db2.gz STPWMSYTYXXHJQ-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001140623828 1378100500 /nfs/dbraw/zinc/10/05/00/1378100500.db2.gz TYGASKQMHKZTEK-ZBFHGGJFSA-N 1 0 334.460 3.436 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](CC(C)(C)C)C3)C2=O)cc1 ZINC001273534981 1378103638 /nfs/dbraw/zinc/10/36/38/1378103638.db2.gz PUVUQFLJXLGVTH-OAQYLSRUSA-N 1 0 343.515 3.223 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1CN1CCOC2(CCCCC2)C1 ZINC001140664758 1378110128 /nfs/dbraw/zinc/11/01/28/1378110128.db2.gz RFFFHRIWVSDIQA-UHFFFAOYSA-N 1 0 348.462 3.197 20 10 EGCDRO CCOc1cccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140747640 1378128882 /nfs/dbraw/zinc/12/88/82/1378128882.db2.gz HEOYKSIXEYNPRF-UHFFFAOYSA-N 1 0 342.439 3.127 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c(O)c1 ZINC001140856182 1378159704 /nfs/dbraw/zinc/15/97/04/1378159704.db2.gz SNFKOYNKPVBCLF-QGZVFWFLSA-N 1 0 332.488 3.487 20 10 EGCDRO COc1cc(N(C)C)ccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001276367343 1378173363 /nfs/dbraw/zinc/17/33/63/1378173363.db2.gz BEASHZDCFKJNEL-PMACEKPBSA-N 1 0 343.515 3.352 20 10 EGCDRO Cc1ncsc1CN1CCC12C[NH+](Cc1c(C)cc(C)cc1O)C2 ZINC001276365727 1378173670 /nfs/dbraw/zinc/17/36/70/1378173670.db2.gz UBMYBIPJWIWLKB-UHFFFAOYSA-N 1 0 343.496 3.234 20 10 EGCDRO CN(C)c1ccc(CN(C)CCNC(=O)OC(C)(C)C)c(Cl)c1 ZINC001140921969 1378181211 /nfs/dbraw/zinc/18/12/11/1378181211.db2.gz YNMWHHSAIAMGHN-UHFFFAOYSA-N 1 0 341.883 3.363 20 10 EGCDRO CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3Cl)C2)C1=O ZINC001140923921 1378181768 /nfs/dbraw/zinc/18/17/68/1378181768.db2.gz LEISHLUPHUTOLS-LJQANCHMSA-N 1 0 349.906 3.240 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c(Cl)c1 ZINC001140924964 1378181920 /nfs/dbraw/zinc/18/19/20/1378181920.db2.gz XTWBANCYIOBLIU-SFHVURJKSA-N 1 0 335.879 3.041 20 10 EGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)[C@H]1C ZINC001141075999 1378232853 /nfs/dbraw/zinc/23/28/53/1378232853.db2.gz JBPPEMMHMMWQPA-KXBFYZLASA-N 1 0 342.483 3.159 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)ccc2O)C1 ZINC001141156356 1378253426 /nfs/dbraw/zinc/25/34/26/1378253426.db2.gz KQAVPFCWCQNTAY-IBGZPJMESA-N 1 0 348.443 3.073 20 10 EGCDRO CO[C@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306986 1378714236 /nfs/dbraw/zinc/71/42/36/1378714236.db2.gz ZCIMGQLKRIGKEX-NSHDSACASA-N 1 0 332.213 3.295 20 10 EGCDRO CCOc1ccc(N2CCN(Cc3nc(C)c(C)s3)CC2)cc1 ZINC001144374504 1378721858 /nfs/dbraw/zinc/72/18/58/1378721858.db2.gz AKAVNXIJTZPDET-UHFFFAOYSA-N 1 0 331.485 3.481 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001144514571 1378739547 /nfs/dbraw/zinc/73/95/47/1378739547.db2.gz KYGUKXLPVTZBQL-OAHLLOKOSA-N 1 0 335.400 3.233 20 10 EGCDRO COc1cccc([C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)c1 ZINC001144515850 1378740002 /nfs/dbraw/zinc/74/00/02/1378740002.db2.gz GZCCKIFMWVAGJK-AWEZNQCLSA-N 1 0 329.396 3.192 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)CC(F)(F)F)cc1C ZINC001146825859 1378930093 /nfs/dbraw/zinc/93/00/93/1378930093.db2.gz GZVZXBVFVDVJMG-UHFFFAOYSA-N 1 0 346.393 3.188 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)c2ccc(C)cc2)cc1C ZINC001148288514 1379146180 /nfs/dbraw/zinc/14/61/80/1379146180.db2.gz DEVHEFWWHKRKTC-KRWDZBQOSA-N 1 0 340.467 3.322 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)c2ccccc2)cc1C ZINC001150444112 1379553494 /nfs/dbraw/zinc/55/34/94/1379553494.db2.gz HREIMUJQQIBQNZ-UHFFFAOYSA-N 1 0 340.467 3.187 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2ccc(C)s2)cc1C ZINC001153786469 1380129277 /nfs/dbraw/zinc/12/92/77/1380129277.db2.gz SJKHRGKGDMVEPL-UHFFFAOYSA-N 1 0 346.496 3.212 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ncc(F)cc3Cl)cc2)CC1 ZINC001156656452 1380605311 /nfs/dbraw/zinc/60/53/11/1380605311.db2.gz UOIYIVKLHYIWGH-UHFFFAOYSA-N 1 0 334.826 3.238 20 10 EGCDRO CN(C)c1ccc(CN(C)c2cc(Cl)nc3c2CC[NH2+]C3)cc1 ZINC001156920708 1380727728 /nfs/dbraw/zinc/72/77/28/1380727728.db2.gz JFQUDNBZYCIXND-UHFFFAOYSA-N 1 0 330.863 3.083 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@]2(C)CC=CCC2)cc1C ZINC001158791788 1381400690 /nfs/dbraw/zinc/40/06/90/1381400690.db2.gz MLUQVHMJNHKOMC-HXUWFJFHSA-N 1 0 330.472 3.346 20 10 EGCDRO [NH3+]Cc1cncc(Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001159439007 1381794110 /nfs/dbraw/zinc/79/41/10/1381794110.db2.gz YQHQOTBWPQKWIK-UHFFFAOYSA-N 1 0 329.359 3.059 20 10 EGCDRO c1cc(O[C@H]2CCC[NH2+]C2)ccc1Nc1ccc2c(c1)OCCN2 ZINC001159949699 1381946708 /nfs/dbraw/zinc/94/67/08/1381946708.db2.gz PSPMMPIPETVGSI-KRWDZBQOSA-N 1 0 325.412 3.365 20 10 EGCDRO [NH3+][C@@H]1CCN(c2cccc(F)c2Nc2ccc3c(c2)CCCN3)C1 ZINC001160070993 1381989026 /nfs/dbraw/zinc/98/90/26/1381989026.db2.gz QFGBDIVYFBPVIO-CQSZACIVSA-N 1 0 326.419 3.465 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2cccc(C)c2)cc1C ZINC001165629538 1383316849 /nfs/dbraw/zinc/31/68/49/1383316849.db2.gz LAQBIWNESXWGHB-UHFFFAOYSA-N 1 0 340.467 3.151 20 10 EGCDRO CC(C)Oc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccn1 ZINC001167431218 1383632201 /nfs/dbraw/zinc/63/22/01/1383632201.db2.gz MXPBEBVDGJUFTM-UHFFFAOYSA-N 1 0 340.471 3.233 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC001168221662 1383847653 /nfs/dbraw/zinc/84/76/53/1383847653.db2.gz KBOXICHYOHXEDQ-UHFFFAOYSA-N 1 0 332.488 3.413 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)c2cocn2)cc1C ZINC001169759767 1384183476 /nfs/dbraw/zinc/18/34/76/1384183476.db2.gz KGZNXHQJXYZQLJ-HNNXBMFYSA-N 1 0 345.443 3.070 20 10 EGCDRO C[NH+](C)C[C@H](NC(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC001335738172 1388915493 /nfs/dbraw/zinc/91/54/93/1388915493.db2.gz WWPZMYGKXNUPGU-KRWDZBQOSA-N 1 0 346.862 3.024 20 10 EGCDRO CC(C)COCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001172466657 1384798762 /nfs/dbraw/zinc/79/87/62/1384798762.db2.gz BHCVACQIDYQLKS-GOSISDBHSA-N 1 0 334.504 3.406 20 10 EGCDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172837107 1384862432 /nfs/dbraw/zinc/86/24/32/1384862432.db2.gz FCFJBFHMFAPVII-BTDLBPIBSA-N 1 0 339.794 3.145 20 10 EGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Br)CCCC[C@H]1O ZINC001329141981 1388987168 /nfs/dbraw/zinc/98/71/68/1388987168.db2.gz UBYDZPYQALGMNN-CABCVRRESA-N 1 0 328.250 3.186 20 10 EGCDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318338663 1385654358 /nfs/dbraw/zinc/65/43/58/1385654358.db2.gz CBJQBJXZYXKDEQ-INIZCTEOSA-N 1 0 345.462 3.281 20 10 EGCDRO CC/C=C(/C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178258411 1386175231 /nfs/dbraw/zinc/17/52/31/1386175231.db2.gz UJCKYSJIXRZKGX-KEKAJEATSA-N 1 0 330.472 3.439 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2c(O)cccc2OC)cc1OC ZINC001319682338 1386250478 /nfs/dbraw/zinc/25/04/78/1386250478.db2.gz PVECBRDDBYYIBM-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001319688431 1386252622 /nfs/dbraw/zinc/25/26/22/1386252622.db2.gz IMNHRYSVHVBSTQ-HNNXBMFYSA-N 1 0 331.479 3.340 20 10 EGCDRO CCCC(=O)NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319695398 1386256517 /nfs/dbraw/zinc/25/65/17/1386256517.db2.gz HODPZXCYVVGYAT-UHFFFAOYSA-N 1 0 329.488 3.168 20 10 EGCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C3CCC3)cc2F)CC1 ZINC001319814705 1386311487 /nfs/dbraw/zinc/31/14/87/1386311487.db2.gz IQRFZZGYWUMSRT-LJQANCHMSA-N 1 0 331.479 3.342 20 10 EGCDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(N2CCCC2)cc1 ZINC001320788724 1386718766 /nfs/dbraw/zinc/71/87/66/1386718766.db2.gz QDPOWFLGKRNXLB-UHFFFAOYSA-N 1 0 329.488 3.025 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC001321023499 1386786260 /nfs/dbraw/zinc/78/62/60/1386786260.db2.gz NGRSYVMBHFTWCU-ZACQAIPSSA-N 1 0 332.488 3.195 20 10 EGCDRO CCC[NH2+]CCCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001180418790 1386791453 /nfs/dbraw/zinc/79/14/53/1386791453.db2.gz HDYLFXMHVRZTNX-UHFFFAOYSA-N 1 0 333.436 3.139 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](C)[NH+]1CCCC1 ZINC001180586965 1386842909 /nfs/dbraw/zinc/84/29/09/1386842909.db2.gz WJSVLVONEIMUAZ-KDOFPFPSSA-N 1 0 330.472 3.233 20 10 EGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC001331271560 1389679259 /nfs/dbraw/zinc/67/92/59/1389679259.db2.gz KVBZUZWZNPFHOP-CQSZACIVSA-N 1 0 330.266 3.287 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1c(F)cccc1F ZINC001333615625 1390355057 /nfs/dbraw/zinc/35/50/57/1390355057.db2.gz UPTCEMSQXCGHQU-GOSISDBHSA-N 1 0 332.394 3.388 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC001347391415 1391067175 /nfs/dbraw/zinc/06/71/75/1391067175.db2.gz MKFLQTGVORBBQU-UHFFFAOYSA-N 1 0 326.234 3.204 20 10 EGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347813362 1391128405 /nfs/dbraw/zinc/12/84/05/1391128405.db2.gz NCMKQARVVKLQNY-UYAOXDASSA-N 1 0 349.494 3.015 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C2CC2)C2CC2)cc1C ZINC001752911694 1440245619 /nfs/dbraw/zinc/24/56/19/1440245619.db2.gz RPCGHHITMAVBCQ-AWEZNQCLSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(C2CC2)C2CC2)cc1C ZINC001752911695 1440245724 /nfs/dbraw/zinc/24/57/24/1440245724.db2.gz RPCGHHITMAVBCQ-CQSZACIVSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC=CCC2)cc1C ZINC001753003688 1440265292 /nfs/dbraw/zinc/26/52/92/1440265292.db2.gz ZHGLWUGYSVKJKE-SJLPKXTDSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccc(C)o2)C(C)C)cc1C ZINC001753822314 1440496723 /nfs/dbraw/zinc/49/67/23/1440496723.db2.gz GQBCMPVUTSHRNC-KRWDZBQOSA-N 1 0 344.455 3.449 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccco2)C(C)C)cc1C ZINC001753822560 1440496841 /nfs/dbraw/zinc/49/68/41/1440496841.db2.gz MERHMGTXDOTHCR-INIZCTEOSA-N 1 0 330.428 3.141 20 10 EGCDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326255772 1126172809 /nfs/dbraw/zinc/17/28/09/1126172809.db2.gz ICDMZJRPAGYHTC-LJQANCHMSA-N 1 0 328.431 3.119 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000184710087 455434688 /nfs/dbraw/zinc/43/46/88/455434688.db2.gz PEWLMCBDRSTFMU-CZUORRHYSA-N 1 0 343.876 3.199 20 10 EGCDRO Cc1cnccc1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090847453 454344972 /nfs/dbraw/zinc/34/49/72/454344972.db2.gz RIDSMCFWJWKLJI-INIZCTEOSA-N 1 0 343.446 3.259 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1C ZINC000092037715 454506462 /nfs/dbraw/zinc/50/64/62/454506462.db2.gz YEJWSDIQHROXSN-FPOVZHCZSA-N 1 0 341.451 3.334 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1C ZINC000092144870 454528013 /nfs/dbraw/zinc/52/80/13/454528013.db2.gz VFMGXRYTGONUCS-UHFFFAOYSA-N 1 0 344.499 3.480 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000122457280 454535429 /nfs/dbraw/zinc/53/54/29/454535429.db2.gz IFNDGVHDXKFRHI-NPMABZOXSA-N 1 0 334.460 3.480 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3nccs3)cc2F)CC1 ZINC000093406129 454712683 /nfs/dbraw/zinc/71/26/83/454712683.db2.gz PMZFFNPIKGQUKI-AWEZNQCLSA-N 1 0 348.491 3.275 20 10 EGCDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC000093869960 454743475 /nfs/dbraw/zinc/74/34/75/454743475.db2.gz VQAQOFAAXYARFI-LJQANCHMSA-N 1 0 338.499 3.475 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N2CCOCC2)c(F)c1 ZINC000125081206 454795858 /nfs/dbraw/zinc/79/58/58/454795858.db2.gz JRINUTZWQQUSCK-RTBCOKGWSA-N 1 0 348.462 3.271 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153793953 454834157 /nfs/dbraw/zinc/83/41/57/454834157.db2.gz TUHUGFANEJBYOB-YWZLYKJASA-N 1 0 344.430 3.047 20 10 EGCDRO CCOC(=O)N1CCC([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000125690948 454838983 /nfs/dbraw/zinc/83/89/83/454838983.db2.gz DXMQNALIWJKJHE-SFHVURJKSA-N 1 0 333.476 3.414 20 10 EGCDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163413811 454845896 /nfs/dbraw/zinc/84/58/96/454845896.db2.gz JAGMTDFPRHGPFF-CQSZACIVSA-N 1 0 346.393 3.057 20 10 EGCDRO C[C@H](CNC(=O)N(C)Cc1ccccc1O)[N@H+](C)Cc1ccccc1 ZINC000111875719 454877651 /nfs/dbraw/zinc/87/76/51/454877651.db2.gz PGNBLGYJESICEU-MRXNPFEDSA-N 1 0 341.455 3.054 20 10 EGCDRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164582414 454884998 /nfs/dbraw/zinc/88/49/98/454884998.db2.gz ZHKFBJKPERFCBO-QGZVFWFLSA-N 1 0 342.487 3.159 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000113359303 454924889 /nfs/dbraw/zinc/92/48/89/454924889.db2.gz REIWMWNNLTUQLR-KRWDZBQOSA-N 1 0 331.847 3.195 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000151072518 454933245 /nfs/dbraw/zinc/93/32/45/454933245.db2.gz SHBDLGMTSABIOC-HNNXBMFYSA-N 1 0 341.411 3.282 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c(OC)c1OC ZINC000185067425 455494947 /nfs/dbraw/zinc/49/49/47/455494947.db2.gz XMNILFFLSOCPGQ-NSHDSACASA-N 1 0 335.375 3.408 20 10 EGCDRO Cc1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)n1-c1ccccc1 ZINC000178800687 454978443 /nfs/dbraw/zinc/97/84/43/454978443.db2.gz IAYASSFOEWOBLT-OAHLLOKOSA-N 1 0 325.456 3.294 20 10 EGCDRO CC[C@@H]([NH2+]CCC(=O)NC(C)C)c1cc(Br)ccc1O ZINC000128901950 455090229 /nfs/dbraw/zinc/09/02/29/455090229.db2.gz HGPGXZXWFWTHMC-CYBMUJFWSA-N 1 0 343.265 3.110 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000179948644 455103883 /nfs/dbraw/zinc/10/38/83/455103883.db2.gz LDXDMQZXOZHUDG-OAHLLOKOSA-N 1 0 346.496 3.397 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3O)CC2)s1 ZINC000180013983 455116619 /nfs/dbraw/zinc/11/66/19/455116619.db2.gz WTHBOLMHHFKZLJ-UHFFFAOYSA-N 1 0 348.443 3.296 20 10 EGCDRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180249748 455151608 /nfs/dbraw/zinc/15/16/08/455151608.db2.gz JHBGMGDREYTUDD-NVXWUHKLSA-N 1 0 336.451 3.272 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000180414896 455165775 /nfs/dbraw/zinc/16/57/75/455165775.db2.gz IUQPXHUKUXNSAZ-HXUWFJFHSA-N 1 0 325.408 3.075 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000190264130 455291102 /nfs/dbraw/zinc/29/11/02/455291102.db2.gz MRODMMLFMLMEBC-OALUTQOASA-N 1 0 327.424 3.364 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](COCc3ccccc3)C1)OCO2 ZINC000172970602 455214871 /nfs/dbraw/zinc/21/48/71/455214871.db2.gz RTSKCGBBOOQYLX-MRXNPFEDSA-N 1 0 341.407 3.160 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000183331702 455279040 /nfs/dbraw/zinc/27/90/40/455279040.db2.gz ZOGJTFOXGRGVSR-HZPDHXFCSA-N 1 0 328.387 3.378 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c(O)c1 ZINC000184853171 455461098 /nfs/dbraw/zinc/46/10/98/455461098.db2.gz OFXIINAXMMWWLF-RDJZCZTQSA-N 1 0 346.496 3.486 20 10 EGCDRO COc1cccc(Cl)c1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000191615482 455503744 /nfs/dbraw/zinc/50/37/44/455503744.db2.gz KIKBAZDAPUPERS-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1 ZINC000185263168 455530542 /nfs/dbraw/zinc/53/05/42/455530542.db2.gz XGBXSRSSCSEJIR-AWEZNQCLSA-N 1 0 333.453 3.096 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000161277415 455554705 /nfs/dbraw/zinc/55/47/05/455554705.db2.gz LYIMUAMUGFVSSV-HNNXBMFYSA-N 1 0 329.419 3.217 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000185547083 455576089 /nfs/dbraw/zinc/57/60/89/455576089.db2.gz JWOQAMBUNOZTED-HNNXBMFYSA-N 1 0 326.440 3.296 20 10 EGCDRO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000185983695 455668986 /nfs/dbraw/zinc/66/89/86/455668986.db2.gz COKPQCQCYOJPCK-CQSZACIVSA-N 1 0 338.451 3.263 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c1 ZINC000186024643 455678807 /nfs/dbraw/zinc/67/88/07/455678807.db2.gz GKHBVWKDMMZHEN-GFCCVEGCSA-N 1 0 334.366 3.059 20 10 EGCDRO C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000268796385 455713688 /nfs/dbraw/zinc/71/36/88/455713688.db2.gz IINNFNDSKROPNV-MRXNPFEDSA-N 1 0 346.496 3.018 20 10 EGCDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000271661331 455714788 /nfs/dbraw/zinc/71/47/88/455714788.db2.gz DLVIZTJWIMOWEG-ZDUSSCGKSA-N 1 0 344.411 3.089 20 10 EGCDRO CC[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000268845440 455715177 /nfs/dbraw/zinc/71/51/77/455715177.db2.gz DSWKEHKRFDAUEF-FQEVSTJZSA-N 1 0 345.531 3.438 20 10 EGCDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268951676 455741154 /nfs/dbraw/zinc/74/11/54/455741154.db2.gz VHWFBQASBRDPIT-IFXJQAMLSA-N 1 0 338.467 3.110 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c(O)c1 ZINC000284960493 455768299 /nfs/dbraw/zinc/76/82/99/455768299.db2.gz FKZOVSHZLAJMAG-JKSUJKDBSA-N 1 0 328.460 3.062 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000186449096 455771000 /nfs/dbraw/zinc/77/10/00/455771000.db2.gz BRVFXJMHGDTWOB-FQEVSTJZSA-N 1 0 325.408 3.422 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000285012938 455777272 /nfs/dbraw/zinc/77/72/72/455777272.db2.gz MLUHOBWEBJAELK-GOEBONIOSA-N 1 0 349.228 3.170 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c(O)c1 ZINC000293579448 455791531 /nfs/dbraw/zinc/79/15/31/455791531.db2.gz DUNFOTQKCXDKDQ-MRXNPFEDSA-N 1 0 336.439 3.500 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c(O)c1 ZINC000293756779 455795425 /nfs/dbraw/zinc/79/54/25/455795425.db2.gz QWLYLBOGHXHRNW-INIZCTEOSA-N 1 0 326.440 3.388 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000278259567 455800574 /nfs/dbraw/zinc/80/05/74/455800574.db2.gz NNWUUBLTTOVFAS-UHFFFAOYSA-N 1 0 329.419 3.330 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1O ZINC000186696081 455821546 /nfs/dbraw/zinc/82/15/46/455821546.db2.gz ZGQMLBCKTRWWEA-HXUWFJFHSA-N 1 0 341.382 3.365 20 10 EGCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294687159 455823413 /nfs/dbraw/zinc/82/34/13/455823413.db2.gz ILJLBYRJUFHVTD-SFHVURJKSA-N 1 0 340.467 3.428 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1cc(Br)ccc1O ZINC000253039209 455831477 /nfs/dbraw/zinc/83/14/77/455831477.db2.gz ZTCJCNUBDGEGIT-JXBWDGJFSA-N 1 0 348.306 3.353 20 10 EGCDRO COc1c(O)c(CNc2cc(C[NH+](C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000278891860 455851012 /nfs/dbraw/zinc/85/10/12/455851012.db2.gz PQVHZFRVGPWYAH-UHFFFAOYSA-N 1 0 345.399 3.291 20 10 EGCDRO CC1CC[NH+](C2CCC(NC(=O)NCc3ccccc3O)CC2)CC1 ZINC000269874297 455853554 /nfs/dbraw/zinc/85/35/54/455853554.db2.gz ITSYRZLYARYFBX-UHFFFAOYSA-N 1 0 345.487 3.235 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000278926157 455854074 /nfs/dbraw/zinc/85/40/74/455854074.db2.gz WZYDLPQGDVZCDG-ZWOKBUDYSA-N 1 0 332.488 3.258 20 10 EGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1nncn1C ZINC000285479729 455855125 /nfs/dbraw/zinc/85/51/25/455855125.db2.gz LFQZKGPVJPYBKP-GOSISDBHSA-N 1 0 327.476 3.292 20 10 EGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295897113 455862243 /nfs/dbraw/zinc/86/22/43/455862243.db2.gz DVHOWJZWOLJZIS-NRFANRHFSA-N 1 0 346.515 3.429 20 10 EGCDRO CCn1nccc1C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000279463303 455865405 /nfs/dbraw/zinc/86/54/05/455865405.db2.gz RGONBIGRAVBHOD-UHFFFAOYSA-N 1 0 330.451 3.488 20 10 EGCDRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296036804 455867445 /nfs/dbraw/zinc/86/74/45/455867445.db2.gz QKOOBIMVCOUSMX-CQSZACIVSA-N 1 0 329.396 3.195 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccc(O)c1 ZINC000194863023 455893126 /nfs/dbraw/zinc/89/31/26/455893126.db2.gz QUQSPWSUGCGTIM-MRXNPFEDSA-N 1 0 340.467 3.452 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@]2(CCOC2)O1 ZINC000280325439 455947466 /nfs/dbraw/zinc/94/74/66/455947466.db2.gz QSDNKZOIUNKZAI-IERDGZPVSA-N 1 0 339.435 3.439 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCO[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000280458278 455975452 /nfs/dbraw/zinc/97/54/52/455975452.db2.gz ZMUIVKLQBAJUTJ-OAHLLOKOSA-N 1 0 346.393 3.057 20 10 EGCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296657095 456002941 /nfs/dbraw/zinc/00/29/41/456002941.db2.gz DTHMWFFQNDISPI-BEFAXECRSA-N 1 0 346.496 3.014 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2=CCCOC2)c1O ZINC000286937972 456057314 /nfs/dbraw/zinc/05/73/14/456057314.db2.gz GSCFNZFCPDQYLT-NSHDSACASA-N 1 0 326.234 3.460 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000287221664 456064305 /nfs/dbraw/zinc/06/43/05/456064305.db2.gz GBEWQJNIHMTGFO-ZIAGYGMSSA-N 1 0 346.402 3.192 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1cc(Br)ccc1O ZINC000188472668 456069199 /nfs/dbraw/zinc/06/91/99/456069199.db2.gz ILSPTVHYTOTFBL-GXFFZTMASA-N 1 0 343.265 3.062 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H](O)c1ccccc1 ZINC000288587455 456100711 /nfs/dbraw/zinc/10/07/11/456100711.db2.gz OJEFRCVESRDOOQ-MEDUHNTESA-N 1 0 336.229 3.366 20 10 EGCDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000226036674 456107962 /nfs/dbraw/zinc/10/79/62/456107962.db2.gz MDQPFXXGWYLZMG-CYBMUJFWSA-N 1 0 336.233 3.055 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(C3OCCO3)s2)cc1 ZINC000289245415 456119247 /nfs/dbraw/zinc/11/92/47/456119247.db2.gz LLALBWZBXAHTHD-UHFFFAOYSA-N 1 0 347.484 3.325 20 10 EGCDRO CCCOc1cc(C[NH2+]Cc2cccc(OC)c2O)ccc1OC ZINC000289452558 456126343 /nfs/dbraw/zinc/12/63/43/456126343.db2.gz NJCMYXLLPDNUCK-UHFFFAOYSA-N 1 0 331.412 3.488 20 10 EGCDRO CCOc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1O ZINC000289686586 456136519 /nfs/dbraw/zinc/13/65/19/456136519.db2.gz ZXYHGQMUEBXBJX-UHFFFAOYSA-N 1 0 330.384 3.374 20 10 EGCDRO COc1cccc(C[NH2+]CCCCC(=O)OCc2ccccc2)c1O ZINC000273175217 456201167 /nfs/dbraw/zinc/20/11/67/456201167.db2.gz KZSWGPDLADGTPP-UHFFFAOYSA-N 1 0 343.423 3.404 20 10 EGCDRO CC[C@@]1(C[NH2+]Cc2cccc(OC)c2O)OCCc2ccccc21 ZINC000289996003 456210597 /nfs/dbraw/zinc/21/05/97/456210597.db2.gz XVUOZADJGXJCTH-FQEVSTJZSA-N 1 0 327.424 3.369 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000236961170 456210857 /nfs/dbraw/zinc/21/08/57/456210857.db2.gz TTXSGQLOEZODSF-GFCCVEGCSA-N 1 0 329.400 3.132 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc2ccccc2c1O ZINC000297439775 456221325 /nfs/dbraw/zinc/22/13/25/456221325.db2.gz VZLGSKBFIIKPKK-NVXWUHKLSA-N 1 0 328.456 3.043 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)ccc1OCCO ZINC000273299396 456222899 /nfs/dbraw/zinc/22/28/99/456222899.db2.gz BAAZAXHWTMYDCI-OAHLLOKOSA-N 1 0 345.439 3.240 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000273435198 456230776 /nfs/dbraw/zinc/23/07/76/456230776.db2.gz WUAIPJICESAHID-RDJZCZTQSA-N 1 0 326.440 3.326 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273450765 456232093 /nfs/dbraw/zinc/23/20/93/456232093.db2.gz GAHZSNUSCLOGKG-OAHLLOKOSA-N 1 0 343.423 3.412 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1 ZINC000273595957 456241197 /nfs/dbraw/zinc/24/11/97/456241197.db2.gz QQEBMGVESKLTSV-LBPRGKRZSA-N 1 0 348.830 3.135 20 10 EGCDRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000274404409 456257941 /nfs/dbraw/zinc/25/79/41/456257941.db2.gz BNOLOKAZJPWVPN-CQSZACIVSA-N 1 0 332.469 3.444 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)c1O ZINC000275332066 456273038 /nfs/dbraw/zinc/27/30/38/456273038.db2.gz NEMAHWNWCZPESL-VXGBXAGGSA-N 1 0 338.249 3.399 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1O ZINC000290320635 456290281 /nfs/dbraw/zinc/29/02/81/456290281.db2.gz CYHSZPVKBRXJQL-WFASDCNBSA-N 1 0 341.293 3.235 20 10 EGCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000275729929 456298759 /nfs/dbraw/zinc/29/87/59/456298759.db2.gz ZSDJQHYKKMCJEM-WMZOPIPTSA-N 1 0 329.444 3.230 20 10 EGCDRO CCOc1ccc(O)c(CN(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000290557696 456364532 /nfs/dbraw/zinc/36/45/32/456364532.db2.gz SESQDRHDCAAJBF-UHFFFAOYSA-N 1 0 344.455 3.480 20 10 EGCDRO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000282009053 456389257 /nfs/dbraw/zinc/38/92/57/456389257.db2.gz REFLIPVIQKMROU-KRWDZBQOSA-N 1 0 347.462 3.262 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000290827064 456440247 /nfs/dbraw/zinc/44/02/47/456440247.db2.gz XKBORRVWRBFPSI-CYBMUJFWSA-N 1 0 338.448 3.184 20 10 EGCDRO COCCOCc1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000291064892 456515890 /nfs/dbraw/zinc/51/58/90/456515890.db2.gz QEJLNYWRJYSEGK-UHFFFAOYSA-N 1 0 329.440 3.462 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000305141265 456530558 /nfs/dbraw/zinc/53/05/58/456530558.db2.gz QDQGEFXGSGDUOY-FQEVSTJZSA-N 1 0 344.430 3.126 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000305782236 456558624 /nfs/dbraw/zinc/55/86/24/456558624.db2.gz VIWRDQRJOZZIQZ-FQEVSTJZSA-N 1 0 345.414 3.486 20 10 EGCDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000291299489 456596922 /nfs/dbraw/zinc/59/69/22/456596922.db2.gz QMBKHTGALDXGLX-HXUWFJFHSA-N 1 0 345.414 3.486 20 10 EGCDRO Cc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000277355472 456792105 /nfs/dbraw/zinc/79/21/05/456792105.db2.gz DPSXLHPUIXJSHW-UHFFFAOYSA-N 1 0 339.844 3.047 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000283743862 456833578 /nfs/dbraw/zinc/83/35/78/456833578.db2.gz IYJVBDFGNVRDKB-MSOLQXFVSA-N 1 0 345.487 3.331 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC3([C@H](C)CCO)CCC3)CC2)cc1 ZINC000359905988 457141197 /nfs/dbraw/zinc/14/11/97/457141197.db2.gz XWXDCRJSJJHYDU-QGZVFWFLSA-N 1 0 346.515 3.442 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000355123229 457343492 /nfs/dbraw/zinc/34/34/92/457343492.db2.gz NBUITLBZELGKCK-UHFFFAOYSA-N 1 0 333.439 3.436 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1[O-] ZINC000363862380 457456870 /nfs/dbraw/zinc/45/68/70/457456870.db2.gz YWACRISIESXXDW-UBHSHLNASA-N 1 0 339.277 3.432 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000371809041 458082450 /nfs/dbraw/zinc/08/24/50/458082450.db2.gz MRJLLBRATOJXFM-IRXDYDNUSA-N 1 0 332.488 3.459 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000372398671 458300785 /nfs/dbraw/zinc/30/07/85/458300785.db2.gz SJETVULNIZQMDK-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471843949 458742187 /nfs/dbraw/zinc/74/21/87/458742187.db2.gz JSMDLSVTSROEPG-AWEZNQCLSA-N 1 0 330.476 3.016 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000525942079 459518485 /nfs/dbraw/zinc/51/84/85/459518485.db2.gz FZICPSLNAFOLEV-UHFFFAOYSA-N 1 0 336.439 3.024 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H](OC)c2cccc(OC)c2)c1O ZINC000527739715 459721222 /nfs/dbraw/zinc/72/12/22/459721222.db2.gz SWEHTJYXWPJTQK-GOSISDBHSA-N 1 0 331.412 3.277 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Br)ccc1O ZINC000037155641 522692784 /nfs/dbraw/zinc/69/27/84/522692784.db2.gz ULNWIIZCYUAQFL-FZMZJTMJSA-N 1 0 338.249 3.481 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c1 ZINC000184920164 547114544 /nfs/dbraw/zinc/11/45/44/547114544.db2.gz LPQJZGWJPWJKPH-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000730773259 575018796 /nfs/dbraw/zinc/01/87/96/575018796.db2.gz ARCDCSQQJPTGCR-KRWDZBQOSA-N 1 0 337.467 3.369 20 10 EGCDRO CCC[C@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000732203305 575244357 /nfs/dbraw/zinc/24/43/57/575244357.db2.gz WMWHWOSENDGUNI-SFHVURJKSA-N 1 0 326.440 3.482 20 10 EGCDRO CCCC[N@H+](C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732822270 575289870 /nfs/dbraw/zinc/28/98/70/575289870.db2.gz HNLQKCPRRGSCLD-UHFFFAOYSA-N 1 0 348.491 3.407 20 10 EGCDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820277 575290158 /nfs/dbraw/zinc/29/01/58/575290158.db2.gz GSVPKTLKVUUXNE-RDTXWAMCSA-N 1 0 335.448 3.082 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCN2CCc3ccccc32)cc1F ZINC000733322283 575327491 /nfs/dbraw/zinc/32/74/91/575327491.db2.gz GGYVYXZBACXSLA-UHFFFAOYSA-N 1 0 327.447 3.434 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000733330778 575328717 /nfs/dbraw/zinc/32/87/17/575328717.db2.gz MKJHLLOEJDJIDG-NRFANRHFSA-N 1 0 345.531 3.266 20 10 EGCDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000734471293 575496869 /nfs/dbraw/zinc/49/68/69/575496869.db2.gz LQMNQVNGOKHVQJ-FQEVSTJZSA-N 1 0 339.483 3.370 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000735850276 575722754 /nfs/dbraw/zinc/72/27/54/575722754.db2.gz VDGDBYJFZQUDLZ-UHFFFAOYSA-N 1 0 333.391 3.225 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000741676714 576710435 /nfs/dbraw/zinc/71/04/35/576710435.db2.gz OXLPAIOVYRUSJY-HDICACEKSA-N 1 0 345.531 3.469 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1C ZINC000742367728 576774170 /nfs/dbraw/zinc/77/41/70/576774170.db2.gz GVOYZLPFDXLKRY-SFHVURJKSA-N 1 0 326.440 3.318 20 10 EGCDRO C[C@@H]1CCCN1C(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000743261941 576804598 /nfs/dbraw/zinc/80/45/98/576804598.db2.gz KHECYRFVSBXDJV-MRXNPFEDSA-N 1 0 329.488 3.118 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000743870295 576818010 /nfs/dbraw/zinc/81/80/10/576818010.db2.gz OYRCHHRJUWTQPE-KRWDZBQOSA-N 1 0 340.467 3.352 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820412254 607085309 /nfs/dbraw/zinc/08/53/09/607085309.db2.gz LGFAHEUQVIINNI-UONOGXRCSA-N 1 0 336.443 3.345 20 10 EGCDRO Cc1cccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000826298282 608590520 /nfs/dbraw/zinc/59/05/20/608590520.db2.gz LQQYWQQFYJEYTF-UHFFFAOYSA-N 1 0 347.422 3.170 20 10 EGCDRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)N1CCCCC1 ZINC000227438780 1296142538 /nfs/dbraw/zinc/14/25/38/1296142538.db2.gz QEWFSBHHZDZMJS-LBPRGKRZSA-N 1 0 327.266 3.119 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000585093658 1298027625 /nfs/dbraw/zinc/02/76/25/1298027625.db2.gz XRFGNWNONOUCCS-UHFFFAOYSA-N 1 0 339.483 3.004 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1O)N1CCCCC1 ZINC000691486623 1298133432 /nfs/dbraw/zinc/13/34/32/1298133432.db2.gz AUZUVTGVMRPBAJ-LBPRGKRZSA-N 1 0 327.266 3.119 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1O ZINC000691432839 1298134510 /nfs/dbraw/zinc/13/45/10/1298134510.db2.gz AAUWZAWGRPMQMA-INIZCTEOSA-N 1 0 334.460 3.348 20 10 EGCDRO Oc1cc(Br)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000691672846 1298136443 /nfs/dbraw/zinc/13/64/43/1298136443.db2.gz BJWHHMTZTSWLPD-OAHLLOKOSA-N 1 0 339.277 3.215 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c(O)c1 ZINC000877572303 1299407768 /nfs/dbraw/zinc/40/77/68/1299407768.db2.gz OMZRIUAQWUKOFO-KBAYOESNSA-N 1 0 329.444 3.184 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC(OC(C)(C)C)C1 ZINC000877595482 1299421456 /nfs/dbraw/zinc/42/14/56/1299421456.db2.gz BSNZWEMJWJCKBU-UHFFFAOYSA-N 1 0 346.515 3.426 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(Cl)cc1O ZINC000841752867 1321306918 /nfs/dbraw/zinc/30/69/18/1321306918.db2.gz QMUMOGUCWHNTRL-VIFPVBQESA-N 1 0 345.873 3.361 20 10 EGCDRO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007255790 1291067356 /nfs/dbraw/zinc/06/73/56/1291067356.db2.gz ZZTYCXVJLOHRDD-OAQYLSRUSA-N 1 0 339.483 3.356 20 10 EGCDRO Cc1cc(C(=O)NCC2CC[NH+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000060346011 1291920737 /nfs/dbraw/zinc/92/07/37/1291920737.db2.gz XWZIKSUAFYBKFO-UHFFFAOYSA-N 1 0 343.446 3.305 20 10 EGCDRO Cc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1 ZINC000063824227 1292025958 /nfs/dbraw/zinc/02/59/58/1292025958.db2.gz UYKNGWNENJARFJ-PTNGSMBKSA-N 1 0 332.494 3.290 20 10 EGCDRO CCC[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1ccccc1O ZINC000069009952 1292226684 /nfs/dbraw/zinc/22/66/84/1292226684.db2.gz KCCRBVANIACTGW-UHFFFAOYSA-N 1 0 326.440 3.229 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)ccc1N1CCCCC1 ZINC000827654862 1292352337 /nfs/dbraw/zinc/35/23/37/1292352337.db2.gz CFEOUZCMWCRXDL-SFHVURJKSA-N 1 0 343.515 3.463 20 10 EGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827661871 1292352830 /nfs/dbraw/zinc/35/28/30/1292352830.db2.gz HYUCPCJORNYRGE-INIZCTEOSA-N 1 0 340.467 3.074 20 10 EGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000827751876 1292365257 /nfs/dbraw/zinc/36/52/57/1292365257.db2.gz XRGTWFMULLRGAL-WMLDXEAASA-N 1 0 341.835 3.266 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)cc1)C1CCCCC1 ZINC000827821412 1292381388 /nfs/dbraw/zinc/38/13/88/1292381388.db2.gz YHGYZRXEIYXYIB-LJQANCHMSA-N 1 0 329.488 3.199 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](CCCCO)C3CC3)cc2)CC1 ZINC000827878487 1292390834 /nfs/dbraw/zinc/39/08/34/1292390834.db2.gz XRPZNWUDIXAHKW-UHFFFAOYSA-N 1 0 332.488 3.039 20 10 EGCDRO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000080360499 1292597323 /nfs/dbraw/zinc/59/73/23/1292597323.db2.gz LOOKVZCHWQFQGB-UHFFFAOYSA-N 1 0 331.485 3.313 20 10 EGCDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093281433 1292914460 /nfs/dbraw/zinc/91/44/60/1292914460.db2.gz GYBLHHZKLGCMAM-CYBMUJFWSA-N 1 0 338.879 3.420 20 10 EGCDRO COc1cccc(C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)c1O ZINC000093529951 1292924210 /nfs/dbraw/zinc/92/42/10/1292924210.db2.gz RQMBUEZCXCRNJN-GOSISDBHSA-N 1 0 329.440 3.420 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)c1O ZINC000093811170 1292932653 /nfs/dbraw/zinc/93/26/53/1292932653.db2.gz RHIPICLNVZDWAW-QGZVFWFLSA-N 1 0 340.467 3.497 20 10 EGCDRO C/C(=C\C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000832281710 1292981071 /nfs/dbraw/zinc/98/10/71/1292981071.db2.gz VRPRVBPCWKDVGZ-XUDAUXSOSA-N 1 0 341.430 3.111 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC(C)(C)c2ccccc2)cc1 ZINC000832281051 1292981167 /nfs/dbraw/zinc/98/11/67/1292981167.db2.gz RSAUXVZMNROLPM-IBGZPJMESA-N 1 0 339.483 3.237 20 10 EGCDRO Cc1ccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000832293408 1292983377 /nfs/dbraw/zinc/98/33/77/1292983377.db2.gz WDWDZCDAARDWPU-FQEVSTJZSA-N 1 0 339.483 3.118 20 10 EGCDRO CCC(CC)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000834502938 1293107326 /nfs/dbraw/zinc/10/73/26/1293107326.db2.gz USTQLXXVPLCSOH-ZWKOTPCHSA-N 1 0 332.488 3.106 20 10 EGCDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000834891906 1293165445 /nfs/dbraw/zinc/16/54/45/1293165445.db2.gz TUCSTMQDIJRMES-GOEBONIOSA-N 1 0 333.451 3.087 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000834904751 1293171183 /nfs/dbraw/zinc/17/11/83/1293171183.db2.gz CDOYUKNOJDVMND-QMTHXVAHSA-N 1 0 328.250 3.275 20 10 EGCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834903304 1293171312 /nfs/dbraw/zinc/17/13/12/1293171312.db2.gz HIBVSUYSRCKDPL-LSBZLQRGSA-N 1 0 336.451 3.271 20 10 EGCDRO COc1cccnc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000834906702 1293172201 /nfs/dbraw/zinc/17/22/01/1293172201.db2.gz SKSAHFPBNRWSIZ-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000834907313 1293172290 /nfs/dbraw/zinc/17/22/90/1293172290.db2.gz NRHZHLRKRDLLIT-AOIWGVFYSA-N 1 0 338.451 3.310 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2)c1 ZINC000834912327 1293174974 /nfs/dbraw/zinc/17/49/74/1293174974.db2.gz CMSMEECWRWGYLQ-JKSUJKDBSA-N 1 0 326.440 3.099 20 10 EGCDRO COc1ccc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1F ZINC000119921268 1293294403 /nfs/dbraw/zinc/29/44/03/1293294403.db2.gz PCRWIEPADDPAIQ-UHFFFAOYSA-N 1 0 344.430 3.166 20 10 EGCDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122538432 1293416566 /nfs/dbraw/zinc/41/65/66/1293416566.db2.gz WIAPUWNVNYKLKJ-HOCLYGCPSA-N 1 0 340.895 3.234 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1F ZINC000123853282 1293457557 /nfs/dbraw/zinc/45/75/57/1293457557.db2.gz MMSAGPHKKNVWFS-MRXNPFEDSA-N 1 0 349.494 3.266 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000126850707 1293546262 /nfs/dbraw/zinc/54/62/62/1293546262.db2.gz XDSBFHBDPPMEAF-YJBOKZPZSA-N 1 0 329.488 3.194 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000126850471 1293546322 /nfs/dbraw/zinc/54/63/22/1293546322.db2.gz XDSBFHBDPPMEAF-CRAIPNDOSA-N 1 0 329.488 3.194 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)ccc1N1CCOCC1 ZINC000127404559 1293563044 /nfs/dbraw/zinc/56/30/44/1293563044.db2.gz GQWBWSQFKSIJMN-IBGZPJMESA-N 1 0 329.419 3.328 20 10 EGCDRO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccccc1O ZINC000130726770 1293666957 /nfs/dbraw/zinc/66/69/57/1293666957.db2.gz CXFLCQQPSGNAOJ-UHFFFAOYSA-N 1 0 328.412 3.252 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCSc2nccs2)C1 ZINC000132864125 1293731275 /nfs/dbraw/zinc/73/12/75/1293731275.db2.gz KHJWJEQEFNNNOP-GFCCVEGCSA-N 1 0 343.518 3.224 20 10 EGCDRO Oc1ccccc1C[N@H+](CCOC[C@@H]1CCCO1)Cc1ccco1 ZINC000152293175 1293962512 /nfs/dbraw/zinc/96/25/12/1293962512.db2.gz HLDCDKYHHABRDM-SFHVURJKSA-N 1 0 331.412 3.183 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000155339344 1294093203 /nfs/dbraw/zinc/09/32/03/1294093203.db2.gz CSZUZSCKQNXYJE-CABCVRRESA-N 1 0 329.419 3.469 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)cc1F ZINC000155600192 1294105996 /nfs/dbraw/zinc/10/59/96/1294105996.db2.gz CJQYLERONPWYIX-KRWDZBQOSA-N 1 0 335.467 3.020 20 10 EGCDRO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3[O-])CC[C@@H]21 ZINC000156093397 1294127691 /nfs/dbraw/zinc/12/76/91/1294127691.db2.gz MLYBDRGLZBETHT-DOMZBBRYSA-N 1 0 339.277 3.071 20 10 EGCDRO C[NH+](C)Cc1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000156429168 1294143664 /nfs/dbraw/zinc/14/36/64/1294143664.db2.gz UUQONYIBISVPTC-UHFFFAOYSA-N 1 0 335.498 3.117 20 10 EGCDRO CCN(Cc1cc(Cl)ccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159892388 1294249705 /nfs/dbraw/zinc/24/97/05/1294249705.db2.gz IQJWNKAWOJOLRW-UHFFFAOYSA-N 1 0 343.814 3.304 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(O)cc1C ZINC000160190840 1294261743 /nfs/dbraw/zinc/26/17/43/1294261743.db2.gz QWMLCIQZJGFAIB-HNNXBMFYSA-N 1 0 348.487 3.084 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@H]3CCCO3)CC1)CCCC2 ZINC000160374878 1294266999 /nfs/dbraw/zinc/26/69/99/1294266999.db2.gz MOXPLEKNBPHIFS-HXUWFJFHSA-N 1 0 345.483 3.431 20 10 EGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000163002041 1294326552 /nfs/dbraw/zinc/32/65/52/1294326552.db2.gz SQMCXUZHLMSFRU-KRWDZBQOSA-N 1 0 328.387 3.159 20 10 EGCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000163577141 1294335197 /nfs/dbraw/zinc/33/51/97/1294335197.db2.gz WJLQFGLAEULZMK-HNNXBMFYSA-N 1 0 330.501 3.307 20 10 EGCDRO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(O)c1O ZINC000177660292 1294684956 /nfs/dbraw/zinc/68/49/56/1294684956.db2.gz RYVNPLRMWJHGLX-CQSZACIVSA-N 1 0 346.452 3.035 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000180698727 1294908845 /nfs/dbraw/zinc/90/88/45/1294908845.db2.gz NPOVASPIPBJZIO-OAHLLOKOSA-N 1 0 329.293 3.373 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2C)c1 ZINC000182319865 1295035999 /nfs/dbraw/zinc/03/59/99/1295035999.db2.gz FULBQJPMZPEOBP-AWEZNQCLSA-N 1 0 328.412 3.307 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(SC)cc2)c1 ZINC000182438094 1295047658 /nfs/dbraw/zinc/04/76/58/1295047658.db2.gz WIHMDHNUGFGRTJ-GFCCVEGCSA-N 1 0 346.452 3.412 20 10 EGCDRO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182888806 1295082498 /nfs/dbraw/zinc/08/24/98/1295082498.db2.gz VLDOSIAPEUKYCC-JKSUJKDBSA-N 1 0 345.487 3.187 20 10 EGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1O ZINC000183627726 1295135349 /nfs/dbraw/zinc/13/53/49/1295135349.db2.gz YSSNJAQYTIBLFI-LSDHHAIUSA-N 1 0 333.453 3.295 20 10 EGCDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000188582535 1295467430 /nfs/dbraw/zinc/46/74/30/1295467430.db2.gz RKOCPMARSIFIGO-HXUWFJFHSA-N 1 0 343.423 3.284 20 10 EGCDRO C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000195527082 1296073715 /nfs/dbraw/zinc/07/37/15/1296073715.db2.gz MBTOHEGECXOGJX-ZACQAIPSSA-N 1 0 329.488 3.164 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+]CCC(C)(C)C)CC2)cc1 ZINC000237281002 1296232752 /nfs/dbraw/zinc/23/27/52/1296232752.db2.gz JBXHQSILMDMNOR-UHFFFAOYSA-N 1 0 333.520 3.233 20 10 EGCDRO COc1cccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)c1O ZINC000237424683 1296241815 /nfs/dbraw/zinc/24/18/15/1296241815.db2.gz OBPRBWODHSLHJA-SFHVURJKSA-N 1 0 326.440 3.155 20 10 EGCDRO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000261951682 1296610199 /nfs/dbraw/zinc/61/01/99/1296610199.db2.gz PUQSYMLVOJDOCF-UHFFFAOYSA-N 1 0 325.456 3.167 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000872134278 1296759074 /nfs/dbraw/zinc/75/90/74/1296759074.db2.gz BMEJQTSMPGPUGD-ADYAMRHXSA-N 1 0 343.423 3.108 20 10 EGCDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000302736657 1296803917 /nfs/dbraw/zinc/80/39/17/1296803917.db2.gz IINUMCMQFDZJOB-UHFFFAOYSA-N 1 0 339.483 3.233 20 10 EGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000310056247 1297086462 /nfs/dbraw/zinc/08/64/62/1297086462.db2.gz KMJHLTJICSOGOU-OAHLLOKOSA-N 1 0 333.476 3.290 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CCCO1 ZINC000311261273 1297105506 /nfs/dbraw/zinc/10/55/06/1297105506.db2.gz GLEQKIBXUFAFAM-AWEZNQCLSA-N 1 0 328.250 3.464 20 10 EGCDRO COc1cccc(C[NH2+]CCc2cccc(Br)c2)c1O ZINC000313705882 1297123331 /nfs/dbraw/zinc/12/33/31/1297123331.db2.gz WLWJXZAXGARYLE-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000324233345 1297207661 /nfs/dbraw/zinc/20/76/61/1297207661.db2.gz YEHVWIDWHZXAQS-LJQANCHMSA-N 1 0 325.456 3.191 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cnc(C)cc2C)cc1Cn1cccn1 ZINC000873130065 1297287452 /nfs/dbraw/zinc/28/74/52/1297287452.db2.gz XLBGZYXAQXVZKR-UHFFFAOYSA-N 1 0 336.439 3.242 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1[O-] ZINC000873290649 1297412736 /nfs/dbraw/zinc/41/27/36/1297412736.db2.gz BBSVMMUYWGTECN-XJKSGUPXSA-N 1 0 338.879 3.245 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1C(=O)OC(C)(C)C ZINC000385498293 1297583716 /nfs/dbraw/zinc/58/37/16/1297583716.db2.gz YCRBBWDGUBYXHZ-RHSMWYFYSA-N 1 0 346.471 3.499 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCCOC(C)(C)C2)c1O ZINC000389436053 1297609979 /nfs/dbraw/zinc/60/99/79/1297609979.db2.gz RUZOXEJQWHQTSK-UHFFFAOYSA-N 1 0 328.250 3.464 20 10 EGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)cc(C(C)=O)c1O ZINC000394375473 1297677322 /nfs/dbraw/zinc/67/73/22/1297677322.db2.gz ZOXDVMPSNMZCFX-WADBZAEESA-N 1 0 335.831 3.103 20 10 EGCDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000588528768 1298079805 /nfs/dbraw/zinc/07/98/05/1298079805.db2.gz MSVZSCLJBJQJMM-FTGSRHIXSA-N 1 0 328.250 3.441 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000697838145 1298165397 /nfs/dbraw/zinc/16/53/97/1298165397.db2.gz JWNOQLXOTWWKAL-VXGBXAGGSA-N 1 0 326.412 3.343 20 10 EGCDRO C[C@H](CN1CCCCC1)[NH2+]Cc1c(O)cccc1Br ZINC000706875369 1298226627 /nfs/dbraw/zinc/22/66/27/1298226627.db2.gz WHZADUDZHITFRR-GFCCVEGCSA-N 1 0 327.266 3.119 20 10 EGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)C12CCC2 ZINC000713473766 1298270746 /nfs/dbraw/zinc/27/07/46/1298270746.db2.gz CUTHIUXXMOZZES-KGLIPLIRSA-N 1 0 326.234 3.202 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)Cc2ccco2)c1O ZINC000725843950 1298371935 /nfs/dbraw/zinc/37/19/35/1298371935.db2.gz IWHVUSDZVDKOKX-SNVBAGLBSA-N 1 0 340.217 3.477 20 10 EGCDRO NC(=O)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1 ZINC000725841519 1298371956 /nfs/dbraw/zinc/37/19/56/1298371956.db2.gz LTYZKHULXIHKNQ-UHFFFAOYSA-N 1 0 332.403 3.448 20 10 EGCDRO [O-]c1c(Br)cccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000725849632 1298374393 /nfs/dbraw/zinc/37/43/93/1298374393.db2.gz SINFBADDRHHRQV-UHFFFAOYSA-N 1 0 339.277 3.261 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000725852199 1298375902 /nfs/dbraw/zinc/37/59/02/1298375902.db2.gz USRNARDVTBZHTP-OAHLLOKOSA-N 1 0 339.439 3.109 20 10 EGCDRO Cc1ccccc1C[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506664 1298797902 /nfs/dbraw/zinc/79/79/02/1298797902.db2.gz NLRSZRQCFDXVNL-JXFKEZNVSA-N 1 0 339.483 3.056 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000876560246 1298827376 /nfs/dbraw/zinc/82/73/76/1298827376.db2.gz JACVZDLGWDAQFT-UHFFFAOYSA-N 1 0 340.452 3.028 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000876569196 1298834821 /nfs/dbraw/zinc/83/48/21/1298834821.db2.gz QIQFOUFAXKSBFQ-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO CCc1nc(CN2CC[NH+](Cc3ccc(C)cc3O)CC2)cs1 ZINC000876639472 1298888254 /nfs/dbraw/zinc/88/82/54/1298888254.db2.gz QHNJRRMYZZATHS-UHFFFAOYSA-N 1 0 331.485 3.037 20 10 EGCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(C)cc3O)CC2)c(C)o1 ZINC000876682478 1298919276 /nfs/dbraw/zinc/91/92/76/1298919276.db2.gz IQKCSYASGCRVPR-UHFFFAOYSA-N 1 0 342.439 3.305 20 10 EGCDRO CC[NH2+][C@H](C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000876872373 1299045227 /nfs/dbraw/zinc/04/52/27/1299045227.db2.gz BXFFTTXKTIQRIS-CVEARBPZSA-N 1 0 326.440 3.480 20 10 EGCDRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c(O)c1 ZINC000876929527 1299072996 /nfs/dbraw/zinc/07/29/96/1299072996.db2.gz ZYQSNJGMFKHCAX-UHFFFAOYSA-N 1 0 342.414 3.234 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(F)c1N)c1ccc(N2CCOCC2)cc1 ZINC000876987175 1299100582 /nfs/dbraw/zinc/10/05/82/1299100582.db2.gz RFNNNXGOPQAHET-AWEZNQCLSA-N 1 0 329.419 3.095 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877114318 1299162208 /nfs/dbraw/zinc/16/22/08/1299162208.db2.gz YQRBPZWWAWXRGW-UHFFFAOYSA-N 1 0 340.467 3.255 20 10 EGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168262 1299190781 /nfs/dbraw/zinc/19/07/81/1299190781.db2.gz QTPDYNKFVGLPJF-HUUCEWRRSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c(O)c1 ZINC000877490925 1299342371 /nfs/dbraw/zinc/34/23/71/1299342371.db2.gz BIKIHZAYNNUJCK-AWEZNQCLSA-N 1 0 341.329 3.422 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccncc3)cc2)CC1 ZINC000877522572 1299365853 /nfs/dbraw/zinc/36/58/53/1299365853.db2.gz CVITVOYGHPUROX-OAQYLSRUSA-N 1 0 337.467 3.380 20 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CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765973070 1302359369 /nfs/dbraw/zinc/35/93/69/1302359369.db2.gz BPJGXLGMQJGPHG-LEWJYISDSA-N 1 0 345.531 3.437 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCCC(=O)OC(C)(C)C)CC2)cc1 ZINC000766382782 1302442121 /nfs/dbraw/zinc/44/21/21/1302442121.db2.gz RXWBOUVVBOUZOE-UHFFFAOYSA-N 1 0 348.487 3.376 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](CO)c3ccccc3C)CC2)cc1 ZINC000766399981 1302444097 /nfs/dbraw/zinc/44/40/97/1302444097.db2.gz KVTNURZKGKWZBR-OAQYLSRUSA-N 1 0 340.467 3.296 20 10 EGCDRO C[NH2+]CCOc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000884194400 1302769171 /nfs/dbraw/zinc/76/91/71/1302769171.db2.gz IKWKXCFEWRPSOK-UHFFFAOYSA-N 1 0 339.439 3.137 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(O)c1 ZINC000768193159 1302850690 /nfs/dbraw/zinc/85/06/90/1302850690.db2.gz CGUOQKKCLOHUTM-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768445254 1302906935 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COCC1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769329635 1303093494 /nfs/dbraw/zinc/09/34/94/1303093494.db2.gz RSRGJRUDIXPQIL-UHFFFAOYSA-N 1 0 347.459 3.444 20 10 EGCDRO COCCn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000769382770 1303102158 /nfs/dbraw/zinc/10/21/58/1303102158.db2.gz AEBWZDPVUAIHKV-UHFFFAOYSA-N 1 0 329.444 3.180 20 10 EGCDRO CN(C)c1ncc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000769387349 1303104099 /nfs/dbraw/zinc/10/40/99/1303104099.db2.gz JHECCGKZDVFQMU-UHFFFAOYSA-N 1 0 326.444 3.193 20 10 EGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769470263 1303119379 /nfs/dbraw/zinc/11/93/79/1303119379.db2.gz KDBVWHINADDOHE-FZMZJTMJSA-N 1 0 341.839 3.258 20 10 EGCDRO C[N@H+](CCOCC1CC1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769525161 1303134810 /nfs/dbraw/zinc/13/48/10/1303134810.db2.gz SEZHJUSEZZCPTD-UHFFFAOYSA-N 1 0 347.459 3.444 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000769532547 1303136396 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COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000771628087 1303426865 /nfs/dbraw/zinc/42/68/65/1303426865.db2.gz DRQNWGZBYIDBLU-OAHLLOKOSA-N 1 0 342.439 3.352 20 10 EGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886325794 1303434084 /nfs/dbraw/zinc/43/40/84/1303434084.db2.gz QVDIGCSTTXLZOR-QAPCUYQASA-N 1 0 329.488 3.057 20 10 EGCDRO CC(C)[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccc(N(C)C)cc1 ZINC000771790430 1303443463 /nfs/dbraw/zinc/44/34/63/1303443463.db2.gz CEDIQNXOCYXZBA-UHFFFAOYSA-N 1 0 343.515 3.268 20 10 EGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000772964507 1303599791 /nfs/dbraw/zinc/59/97/91/1303599791.db2.gz NMAMMRXLKSRYLB-HZPDHXFCSA-N 1 0 348.487 3.294 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000772982744 1303601653 /nfs/dbraw/zinc/60/16/53/1303601653.db2.gz YHXSBVIEFLPDDV-INIZCTEOSA-N 1 0 329.488 3.386 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000773757962 1303736488 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COc1c(O)c(C[N@@H+]2CCc3ccccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000774881020 1303871407 /nfs/dbraw/zinc/87/14/07/1303871407.db2.gz VNNOUFVZCJDEPV-GFCCVEGCSA-N 1 0 328.368 3.428 20 10 EGCDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccn1 ZINC000774998828 1303887702 /nfs/dbraw/zinc/88/77/02/1303887702.db2.gz PFAOAAKYHAJHRM-CYBMUJFWSA-N 1 0 331.372 3.335 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000775012452 1303888240 /nfs/dbraw/zinc/88/82/40/1303888240.db2.gz PHWJHHOQSJQJBM-IAGOWNOFSA-N 1 0 336.863 3.292 20 10 EGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2cc(Cl)ccc2O)C1 ZINC000775555206 1303983843 /nfs/dbraw/zinc/98/38/43/1303983843.db2.gz TUGJLYXCTMTZOF-JSGCOSHPSA-N 1 0 326.824 3.317 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c1 ZINC000775662248 1304008294 /nfs/dbraw/zinc/00/82/94/1304008294.db2.gz SKSZGCQVPGLEQE-UHFFFAOYSA-N 1 0 346.471 3.062 20 10 EGCDRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(OC)ccc1O ZINC000775691034 1304017040 /nfs/dbraw/zinc/01/70/40/1304017040.db2.gz ZRKWJSFNJGNALM-UHFFFAOYSA-N 1 0 349.402 3.067 20 10 EGCDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000775709973 1304019671 /nfs/dbraw/zinc/01/96/71/1304019671.db2.gz VEFFTUJRRXNBHM-YJBOKZPZSA-N 1 0 331.504 3.173 20 10 EGCDRO Cc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834530 1304046540 /nfs/dbraw/zinc/04/65/40/1304046540.db2.gz URISLOWARBVJAW-QGZVFWFLSA-N 1 0 339.483 3.071 20 10 EGCDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833519 1304046892 /nfs/dbraw/zinc/04/68/92/1304046892.db2.gz KJXHAEWQAIXILR-PXNSSMCTSA-N 1 0 342.483 3.460 20 10 EGCDRO C[C@@H](c1ccccc1)[N@H+](CCN1CCOC1=O)Cc1ccccc1O ZINC000776012056 1304078982 /nfs/dbraw/zinc/07/89/82/1304078982.db2.gz XFRYJCKQXASGEU-INIZCTEOSA-N 1 0 340.423 3.408 20 10 EGCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776238447 1304118535 /nfs/dbraw/zinc/11/85/35/1304118535.db2.gz ODNUJJQOOSWPRL-JKSUJKDBSA-N 1 0 346.519 3.185 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000776331959 1304135772 /nfs/dbraw/zinc/13/57/72/1304135772.db2.gz DEXRFDHDHZVHEG-UHFFFAOYSA-N 1 0 343.496 3.148 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000776809231 1304203212 /nfs/dbraw/zinc/20/32/12/1304203212.db2.gz QKZXELHDAPYKEK-HOTGVXAUSA-N 1 0 334.460 3.356 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000776863279 1304213852 /nfs/dbraw/zinc/21/38/52/1304213852.db2.gz AKSMJDHTRYPPKC-MCIONIFRSA-N 1 0 338.423 3.439 20 10 EGCDRO COc1ccc(C)cc1CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000778994389 1304515433 /nfs/dbraw/zinc/51/54/33/1304515433.db2.gz KRMBRNPJNNZSHZ-UHFFFAOYSA-N 1 0 326.440 3.027 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCc3ccc(C(=O)OC)cc3C2)c1O ZINC000779600301 1304585585 /nfs/dbraw/zinc/58/55/85/1304585585.db2.gz ZBSDTAQUVSOMGG-UHFFFAOYSA-N 1 0 341.407 3.136 20 10 EGCDRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccc4c(c3)CCO4)cn2)cc1 ZINC000780520368 1304704771 /nfs/dbraw/zinc/70/47/71/1304704771.db2.gz NWSYYEAGOQBITK-UHFFFAOYSA-N 1 0 337.398 3.295 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000781905933 1304889590 /nfs/dbraw/zinc/88/95/90/1304889590.db2.gz RTWSYPVLXDWANX-CQSZACIVSA-N 1 0 339.277 3.133 20 10 EGCDRO Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000783236364 1305068198 /nfs/dbraw/zinc/06/81/98/1305068198.db2.gz GXCQAQZRKKNHQF-HXUWFJFHSA-N 1 0 348.450 3.443 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@@H]3CCOC3)CC1)CCCC2 ZINC000784001502 1305174085 /nfs/dbraw/zinc/17/40/85/1305174085.db2.gz YGNHJZGBKBCTDU-MRXNPFEDSA-N 1 0 345.483 3.289 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@H]3C[C@@H](C)c4c3c(O)ccc4F)CC2)n[nH]1 ZINC000784056388 1305183453 /nfs/dbraw/zinc/18/34/53/1305183453.db2.gz LLIYUALDVFWCDK-ABAIWWIYSA-N 1 0 344.434 3.370 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3cc(OC)ccc3C2)c(O)c1 ZINC000784624856 1305265650 /nfs/dbraw/zinc/26/56/50/1305265650.db2.gz UNKRQQFVBBVKCQ-QGZVFWFLSA-N 1 0 327.424 3.447 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H]2CCc3cc(OC)ccc3C2)c1O ZINC000784622606 1305265884 /nfs/dbraw/zinc/26/58/84/1305265884.db2.gz CLAHTCBPOXHINV-KRWDZBQOSA-N 1 0 327.424 3.447 20 10 EGCDRO COC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H](C)O1 ZINC000784666846 1305269855 /nfs/dbraw/zinc/26/98/55/1305269855.db2.gz AUUBZXJQASEWRN-HNAYVOBHSA-N 1 0 327.424 3.295 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)cc1C ZINC000785549037 1305375490 /nfs/dbraw/zinc/37/54/90/1305375490.db2.gz QZSKCVJDGNQOPI-GOSISDBHSA-N 1 0 330.472 3.417 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)COc2cccc(F)c2)c(O)c1OC ZINC000892657102 1305490581 /nfs/dbraw/zinc/49/05/81/1305490581.db2.gz IBPPVXVMOPZZAY-LBPRGKRZSA-N 1 0 335.375 3.106 20 10 EGCDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccco1 ZINC000892739642 1305530842 /nfs/dbraw/zinc/53/08/42/1305530842.db2.gz FQEXFZGVWDZIOX-OAHLLOKOSA-N 1 0 348.443 3.175 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cn(C)nc3C3CC3)CC2)cc1 ZINC000892812029 1305563599 /nfs/dbraw/zinc/56/35/99/1305563599.db2.gz JIWKBFIBAHMIPQ-UHFFFAOYSA-N 1 0 340.471 3.065 20 10 EGCDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)Oc1cccc(F)c1 ZINC000893096726 1305704649 /nfs/dbraw/zinc/70/46/49/1305704649.db2.gz SGMOMMBHHRVFRJ-OAHLLOKOSA-N 1 0 349.402 3.496 20 10 EGCDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC000787428107 1305743202 /nfs/dbraw/zinc/74/32/02/1305743202.db2.gz IXGFZJSVUOMCIO-HXUWFJFHSA-N 1 0 327.424 3.224 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](O)c2cccs2)c(O)c1OC ZINC000893266633 1305793892 /nfs/dbraw/zinc/79/38/92/1305793892.db2.gz IBGLKRSJLAOZSN-YPMHNXCESA-N 1 0 337.441 3.073 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)c(O)c1OC ZINC000893267482 1305794329 /nfs/dbraw/zinc/79/43/29/1305794329.db2.gz LQLZZMVHQJNWDW-LRDDRELGSA-N 1 0 349.402 3.150 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)ccc1OC ZINC000788074777 1305860169 /nfs/dbraw/zinc/86/01/69/1305860169.db2.gz DITYRURUAGWKRF-SFHVURJKSA-N 1 0 345.487 3.495 20 10 EGCDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000788544491 1305967849 /nfs/dbraw/zinc/96/78/49/1305967849.db2.gz DREDIDKQTJBPBS-QLFBSQMISA-N 1 0 338.467 3.342 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000788642740 1305989485 /nfs/dbraw/zinc/98/94/85/1305989485.db2.gz IENDRGXBGCFNEE-OAHLLOKOSA-N 1 0 347.503 3.406 20 10 EGCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCC34CCCC4)CC2)cc1 ZINC000788983099 1306057128 /nfs/dbraw/zinc/05/71/28/1306057128.db2.gz ARAHEUOGECCAGR-HXUWFJFHSA-N 1 0 343.515 3.130 20 10 EGCDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(F)cc(F)c1[O-] ZINC000894037975 1306186324 /nfs/dbraw/zinc/18/63/24/1306186324.db2.gz ANXWPQDMUBEPHQ-UHFFFAOYSA-N 1 0 330.375 3.017 20 10 EGCDRO COc1cc(C)cc(CNc2ccc(OCC[NH+](C)C)cc2)c1O ZINC000894115203 1306226818 /nfs/dbraw/zinc/22/68/18/1306226818.db2.gz LIOGPWJVTJFSHQ-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000894225787 1306288444 /nfs/dbraw/zinc/28/84/44/1306288444.db2.gz LZAIKMSBOPFFAD-ZDUSSCGKSA-N 1 0 340.423 3.079 20 10 EGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1OC ZINC000894239246 1306296274 /nfs/dbraw/zinc/29/62/74/1306296274.db2.gz YSWLXDHXWWCMPS-AWEZNQCLSA-N 1 0 345.439 3.447 20 10 EGCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000790934270 1308890064 /nfs/dbraw/zinc/89/00/64/1308890064.db2.gz JFMBUTWNENMUGI-RISCZKNCSA-N 1 0 328.250 3.280 20 10 EGCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000792192042 1309139717 /nfs/dbraw/zinc/13/97/17/1309139717.db2.gz AIBGCDNAMRECHQ-YLJYHZDGSA-N 1 0 332.488 3.160 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccco2)c(C(F)(F)F)c1 ZINC000792896206 1309253039 /nfs/dbraw/zinc/25/30/39/1309253039.db2.gz CJPDHKIRKRIEFU-AWEZNQCLSA-N 1 0 328.334 3.188 20 10 EGCDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000793388628 1309361837 /nfs/dbraw/zinc/36/18/37/1309361837.db2.gz QLHNFMHCRKVCSQ-CQSZACIVSA-N 1 0 342.439 3.470 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2O)c(O)c1 ZINC000793386328 1309362203 /nfs/dbraw/zinc/36/22/03/1309362203.db2.gz MCRDDMBZKNFMNS-UHFFFAOYSA-N 1 0 338.201 3.159 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000793608074 1309415567 /nfs/dbraw/zinc/41/55/67/1309415567.db2.gz GYTIIWFRUPRELK-SUMWQHHRSA-N 1 0 331.387 3.041 20 10 EGCDRO CCc1nc(C)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000794410741 1309521446 /nfs/dbraw/zinc/52/14/46/1309521446.db2.gz FVBSNWZGQNULMC-INIZCTEOSA-N 1 0 330.428 3.432 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000794828007 1309604034 /nfs/dbraw/zinc/60/40/34/1309604034.db2.gz NXNMRTFFZPGDMF-GFCCVEGCSA-N 1 0 339.482 3.407 20 10 EGCDRO c1ncn(CCC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000796262208 1309946742 /nfs/dbraw/zinc/94/67/42/1309946742.db2.gz IBFMQKMESNRLKE-UHFFFAOYSA-N 1 0 347.466 3.021 20 10 EGCDRO C[NH+]1CCC2(CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000798957302 1310463507 /nfs/dbraw/zinc/46/35/07/1310463507.db2.gz RNSYFHYYAGXGIW-UHFFFAOYSA-N 1 0 326.843 3.493 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c(O)cc1C ZINC000799153084 1310492890 /nfs/dbraw/zinc/49/28/90/1310492890.db2.gz BZPSQMLOSBICHP-VIBAHUMZSA-N 1 0 333.472 3.471 20 10 EGCDRO CCCC[C@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000799933406 1310640947 /nfs/dbraw/zinc/64/09/47/1310640947.db2.gz NGONOBYUVSGOPI-INIZCTEOSA-N 1 0 349.494 3.410 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnc(C3CC3)s2)N(C)C)cc1 ZINC000898449544 1310740628 /nfs/dbraw/zinc/74/06/28/1310740628.db2.gz HDCGFOVQHKKFDJ-GOSISDBHSA-N 1 0 344.528 3.479 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCSCC1 ZINC000898450622 1310741677 /nfs/dbraw/zinc/74/16/77/1310741677.db2.gz SGRDSDDOLOFBGI-BEFAXECRSA-N 1 0 335.561 3.477 20 10 EGCDRO CCCC[N@H+](CC(=O)NCc1ccccc1F)Cc1ccccc1O ZINC000801599215 1310972213 /nfs/dbraw/zinc/97/22/13/1310972213.db2.gz FVGBQODMNGIZGA-UHFFFAOYSA-N 1 0 344.430 3.450 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000824596959 1320268924 /nfs/dbraw/zinc/26/89/24/1320268924.db2.gz LYGFJILTAOGWIM-NSHDSACASA-N 1 0 336.233 3.257 20 10 EGCDRO COC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000824758215 1320283098 /nfs/dbraw/zinc/28/30/98/1320283098.db2.gz ODSROZNGAUACOF-AWEZNQCLSA-N 1 0 349.814 3.294 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825132002 1320313579 /nfs/dbraw/zinc/31/35/79/1320313579.db2.gz VUTWIBLPGKCSIJ-UHFFFAOYSA-N 1 0 332.831 3.182 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCC[C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000825133264 1320313405 /nfs/dbraw/zinc/31/34/05/1320313405.db2.gz BEQJKRLTTYRYMA-MRXNPFEDSA-N 1 0 347.459 3.491 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c(O)c1 ZINC000825086491 1320308784 /nfs/dbraw/zinc/30/87/84/1320308784.db2.gz SXACPNRJZOYNAJ-DNVCBOLYSA-N 1 0 328.412 3.196 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)c1O ZINC000825099233 1320309900 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CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c1C ZINC000858138483 1328692812 /nfs/dbraw/zinc/69/28/12/1328692812.db2.gz BCTQIVAFXBXELL-UHFFFAOYSA-N 1 0 343.471 3.472 20 10 EGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1c(O)cccc1Br ZINC000858140086 1328693709 /nfs/dbraw/zinc/69/37/09/1328693709.db2.gz ZNHZHXGMIFHWFF-CQSZACIVSA-N 1 0 348.244 3.420 20 10 EGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Br)C(=O)OC(C)(C)C ZINC000858185261 1328705937 /nfs/dbraw/zinc/70/59/37/1328705937.db2.gz AYUQQYWSEWVMJL-JTQLQIEISA-N 1 0 344.249 3.222 20 10 EGCDRO Cc1csc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000903447773 1317701221 /nfs/dbraw/zinc/70/12/21/1317701221.db2.gz CIQOQJWHLVSISS-RHSMWYFYSA-N 1 0 332.517 3.471 20 10 EGCDRO Cc1nc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000903449654 1317701887 /nfs/dbraw/zinc/70/18/87/1317701887.db2.gz ZAIDLLBOTPIAHF-UGSOOPFHSA-N 1 0 332.517 3.471 20 10 EGCDRO COC1CCN(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808700145 1317717998 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CON1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000817589125 1319408646 /nfs/dbraw/zinc/40/86/46/1319408646.db2.gz UKCMPBIWYQPMNC-LLVKDONJSA-N 1 0 343.265 3.140 20 10 EGCDRO CC(=O)Nc1cccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939122 1319465837 /nfs/dbraw/zinc/46/58/37/1319465837.db2.gz ZIJNBXRPIDFDLG-JLTOFOAXSA-N 1 0 340.471 3.062 20 10 EGCDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1OC ZINC000817938326 1319466190 /nfs/dbraw/zinc/46/61/90/1319466190.db2.gz JBWHYQHZZYUMDZ-RDTXWAMCSA-N 1 0 343.471 3.120 20 10 EGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000817940036 1319468116 /nfs/dbraw/zinc/46/81/16/1319468116.db2.gz DYLZPUIWQJIDOP-AUUYWEPGSA-N 1 0 344.478 3.308 20 10 EGCDRO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940803 1319468392 /nfs/dbraw/zinc/46/83/92/1319468392.db2.gz HUTFHCPPQMOEJU-UXHICEINSA-N 1 0 339.483 3.428 20 10 EGCDRO C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817957829 1319476916 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UYHYFURPIYBKEC-HXUWFJFHSA-N 1 0 341.430 3.201 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000818221246 1319521558 /nfs/dbraw/zinc/52/15/58/1319521558.db2.gz PROLOLBMPJIIHV-QGZVFWFLSA-N 1 0 338.451 3.246 20 10 EGCDRO CCc1cnc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000818220630 1319521846 /nfs/dbraw/zinc/52/18/46/1319521846.db2.gz HSLPAWOGUYMBBV-AWEZNQCLSA-N 1 0 331.485 3.330 20 10 EGCDRO CCc1ncc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000818222656 1319522241 /nfs/dbraw/zinc/52/22/41/1319522241.db2.gz VIBPEOKXGDRBRW-AWEZNQCLSA-N 1 0 331.485 3.330 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(F)cc(OC)c3)C2)cc1 ZINC000818222260 1319522401 /nfs/dbraw/zinc/52/24/01/1319522401.db2.gz RWAYEGLATMCPFO-OAHLLOKOSA-N 1 0 344.430 3.459 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc4n(n3)CCC4)C2)cc1 ZINC000818341884 1319530435 /nfs/dbraw/zinc/53/04/35/1319530435.db2.gz IDAPGKXHRUNWQZ-JKSUJKDBSA-N 1 0 340.471 3.015 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](Cn3cccn3)C(C)C)C2)cc1 ZINC000818342996 1319532175 /nfs/dbraw/zinc/53/21/75/1319532175.db2.gz XOXOOQIUFURWLD-XLIONFOSSA-N 1 0 342.487 3.032 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCN(c3ccccc3C)CC2)c1O ZINC000915835546 1319545109 /nfs/dbraw/zinc/54/51/09/1319545109.db2.gz PACNJMZIOXLHNN-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO CC[NH+](CC)CC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000915926986 1319563730 /nfs/dbraw/zinc/56/37/30/1319563730.db2.gz GTRAJTBEXCVXQH-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C[C@@H]3C=CCC3)C2)cc1C ZINC000961536337 1319641539 /nfs/dbraw/zinc/64/15/39/1319641539.db2.gz KBXGWWUEDPCFLC-IPJUCJBFSA-N 1 0 342.483 3.344 20 10 EGCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000917089663 1319754393 /nfs/dbraw/zinc/75/43/93/1319754393.db2.gz CGIHSCZBNCHJFO-ZDUSSCGKSA-N 1 0 329.271 3.401 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000820504478 1319900190 /nfs/dbraw/zinc/90/01/90/1319900190.db2.gz XFZULVKGBVJFNW-KXBFYZLASA-N 1 0 343.446 3.398 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000918222387 1319935362 /nfs/dbraw/zinc/93/53/62/1319935362.db2.gz DPMVEPPRYSIZKO-KRWDZBQOSA-N 1 0 346.519 3.064 20 10 EGCDRO CC[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023852286 1319988194 /nfs/dbraw/zinc/98/81/94/1319988194.db2.gz CXFJXQZUZXWCRD-CRAIPNDOSA-N 1 0 332.488 3.378 20 10 EGCDRO Cc1ccc(O)c(CN2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000822503650 1320090080 /nfs/dbraw/zinc/09/00/80/1320090080.db2.gz JXEMNCGMNPPSIP-IYBDPMFKSA-N 1 0 333.334 3.003 20 10 EGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1Cl ZINC000824617095 1320270371 /nfs/dbraw/zinc/27/03/71/1320270371.db2.gz CCFBTBZDQNIGJN-KRWDZBQOSA-N 1 0 349.858 3.364 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824721913 1320279735 /nfs/dbraw/zinc/27/97/35/1320279735.db2.gz KVHKCTWNETVSMP-RRFJBIMHSA-N 1 0 325.836 3.180 20 10 EGCDRO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2cc(F)ccc2O)c(OC)c1 ZINC000824733211 1320280876 /nfs/dbraw/zinc/28/08/76/1320280876.db2.gz KMSOZPFIVHPUFK-LBPRGKRZSA-N 1 0 349.402 3.278 20 10 EGCDRO COc1cccc(C[NH2+]CCOc2ccc(Cl)c(F)c2)c1O ZINC000824790179 1320285822 /nfs/dbraw/zinc/28/58/22/1320285822.db2.gz NQVCHVPLJWJWNP-UHFFFAOYSA-N 1 0 325.767 3.362 20 10 EGCDRO Oc1c(C[NH+]2CCN(c3cccc(F)n3)CC2)ccc2ccccc21 ZINC000824815691 1320288201 /nfs/dbraw/zinc/28/82/01/1320288201.db2.gz WWNRLXRAGICBEF-UHFFFAOYSA-N 1 0 337.398 3.402 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC000824844837 1320290710 /nfs/dbraw/zinc/29/07/10/1320290710.db2.gz DORWRKCFTVMDQY-GOEBONIOSA-N 1 0 329.868 3.433 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000825038309 1320306048 /nfs/dbraw/zinc/30/60/48/1320306048.db2.gz XTCLCSDJRVYUDC-LBPRGKRZSA-N 1 0 348.240 3.496 20 10 EGCDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000825098965 1320309375 /nfs/dbraw/zinc/30/93/75/1320309375.db2.gz RAODBJGLKZXMSU-AUUYWEPGSA-N 1 0 347.459 3.488 20 10 EGCDRO COC(=O)c1oc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1C ZINC000825167203 1320315921 /nfs/dbraw/zinc/31/59/21/1320315921.db2.gz JJYODMVCAMKDJH-UHFFFAOYSA-N 1 0 328.412 3.047 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)C1CCCCC1 ZINC000825206387 1320318345 /nfs/dbraw/zinc/31/83/45/1320318345.db2.gz YMBBLYAMCPOGPG-HNNXBMFYSA-N 1 0 328.250 3.186 20 10 EGCDRO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825297727 1320325023 /nfs/dbraw/zinc/32/50/23/1320325023.db2.gz LSWZRRWJVYKEFY-VIFPVBQESA-N 1 0 339.233 3.480 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)nc1 ZINC000825305025 1320325800 /nfs/dbraw/zinc/32/58/00/1320325800.db2.gz ADSNVCVHCBENEU-UHFFFAOYSA-N 1 0 349.434 3.271 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000825338436 1320329589 /nfs/dbraw/zinc/32/95/89/1320329589.db2.gz YBGIEAKSZSGLOG-NFAWXSAZSA-N 1 0 326.234 3.202 20 10 EGCDRO COCc1csc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000825509866 1320343450 /nfs/dbraw/zinc/34/34/50/1320343450.db2.gz RNZAROONYISTOD-UHFFFAOYSA-N 1 0 334.485 3.471 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)[C@@]12CCCO2 ZINC000825513820 1320343655 /nfs/dbraw/zinc/34/36/55/1320343655.db2.gz KEWDLVQTYOMJBH-BBWFWOEESA-N 1 0 325.836 3.170 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000825922371 1320371375 /nfs/dbraw/zinc/37/13/75/1320371375.db2.gz QIXWNQWZDLQJIM-HNNXBMFYSA-N 1 0 336.229 3.368 20 10 EGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)CC1(C)C ZINC000826062820 1320381158 /nfs/dbraw/zinc/38/11/58/1320381158.db2.gz XPSWFOFYXKMRJH-CQSZACIVSA-N 1 0 328.250 3.402 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1Cl ZINC000826535434 1320386252 /nfs/dbraw/zinc/38/62/52/1320386252.db2.gz WYTZJMPRVFYGMO-MRXNPFEDSA-N 1 0 336.863 3.091 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000838916095 1320834007 /nfs/dbraw/zinc/83/40/07/1320834007.db2.gz OUSLZOTYHOWVGQ-MRXNPFEDSA-N 1 0 337.467 3.258 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)c1 ZINC000839538358 1320933912 /nfs/dbraw/zinc/93/39/12/1320933912.db2.gz BCNDUDIKYOPDFL-SJCJKPOMSA-N 1 0 326.396 3.005 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000839922457 1320996884 /nfs/dbraw/zinc/99/68/84/1320996884.db2.gz VDEQNAJJNXYWCJ-OAHLLOKOSA-N 1 0 336.439 3.070 20 10 EGCDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000840166330 1321042601 /nfs/dbraw/zinc/04/26/01/1321042601.db2.gz IGGXEEZMPSIZEV-XIKOKIGWSA-N 1 0 331.387 3.020 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000840758945 1321143102 /nfs/dbraw/zinc/14/31/02/1321143102.db2.gz IVCYAQVGRSDICY-ZDUSSCGKSA-N 1 0 333.382 3.047 20 10 EGCDRO O=C1NCCC[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000840825744 1321157291 /nfs/dbraw/zinc/15/72/91/1321157291.db2.gz KFTUMUDQDLVASB-PKOBYXMFSA-N 1 0 338.451 3.182 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000840910537 1321175183 /nfs/dbraw/zinc/17/51/83/1321175183.db2.gz IQLBLZRLOPETBS-HXUWFJFHSA-N 1 0 337.467 3.124 20 10 EGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840912649 1321176716 /nfs/dbraw/zinc/17/67/16/1321176716.db2.gz LYDNQYICSJNQDP-KRWDZBQOSA-N 1 0 331.504 3.189 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000840935839 1321180774 /nfs/dbraw/zinc/18/07/74/1321180774.db2.gz AFXTVPFMXVVXAJ-QGZVFWFLSA-N 1 0 332.488 3.079 20 10 EGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840936649 1321180883 /nfs/dbraw/zinc/18/08/83/1321180883.db2.gz AOPKGOABERJJGX-MRXNPFEDSA-N 1 0 347.503 3.408 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000840941729 1321183045 /nfs/dbraw/zinc/18/30/45/1321183045.db2.gz JFWMMGYCZWCALH-LEWJYISDSA-N 1 0 342.458 3.456 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000840941730 1321183184 /nfs/dbraw/zinc/18/31/84/1321183184.db2.gz JFWMMGYCZWCALH-NHCUHLMSSA-N 1 0 342.458 3.456 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000840960954 1321187316 /nfs/dbraw/zinc/18/73/16/1321187316.db2.gz OTHQOVKTKMUBFF-GOSISDBHSA-N 1 0 341.455 3.271 20 10 EGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000840960952 1321187349 /nfs/dbraw/zinc/18/73/49/1321187349.db2.gz OKSUSYLPFNFVFI-MEBBXXQBSA-N 1 0 328.250 3.448 20 10 EGCDRO CC[C@@](C[NH2+]Cc1cc(C)ccc1O)(C(=O)OC)c1ccccc1 ZINC000840978390 1321193505 /nfs/dbraw/zinc/19/35/05/1321193505.db2.gz OUTAEBSJWJKUQT-FQEVSTJZSA-N 1 0 327.424 3.311 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CCc2ccc(N)cc2)c1O ZINC000841035320 1321205316 /nfs/dbraw/zinc/20/53/16/1321205316.db2.gz MJXTWQXYIMZODG-UHFFFAOYSA-N 1 0 335.245 3.378 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000841039597 1321206732 /nfs/dbraw/zinc/20/67/32/1321206732.db2.gz VWTUZEPQBWVQIB-UHFFFAOYSA-N 1 0 327.266 3.214 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccccc2OC(F)F)cc1 ZINC000841044118 1321208119 /nfs/dbraw/zinc/20/81/19/1321208119.db2.gz TVFUPMCFYKCFFS-INIZCTEOSA-N 1 0 335.398 3.144 20 10 EGCDRO Cc1cc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc2cccnc12 ZINC000841045189 1321208487 /nfs/dbraw/zinc/20/84/87/1321208487.db2.gz JEMVTLZYHNGJAD-HXUWFJFHSA-N 1 0 334.467 3.399 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]CCSCc2ccccc2)cc1 ZINC000841043267 1321208588 /nfs/dbraw/zinc/20/85/88/1321208588.db2.gz QBNRUTSLYCCCRF-LJQANCHMSA-N 1 0 329.513 3.275 20 10 EGCDRO C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000841099575 1321217948 /nfs/dbraw/zinc/21/79/48/1321217948.db2.gz MGGDBOXJGAVCDI-NVXWUHKLSA-N 1 0 346.475 3.002 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c(C(F)(F)F)c1 ZINC000841105322 1321218923 /nfs/dbraw/zinc/21/89/23/1321218923.db2.gz JMRKATBOOJSPON-INIZCTEOSA-N 1 0 327.394 3.099 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105266 1321218991 /nfs/dbraw/zinc/21/89/91/1321218991.db2.gz DTCAAKKMXXAEFB-NRFANRHFSA-N 1 0 338.451 3.299 20 10 EGCDRO C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841296721 1321248265 /nfs/dbraw/zinc/24/82/65/1321248265.db2.gz YIFCJFYSRPTWLY-ZDUSSCGKSA-N 1 0 330.457 3.241 20 10 EGCDRO CC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841296051 1321248574 /nfs/dbraw/zinc/24/85/74/1321248574.db2.gz ODUBOZRURJVGFZ-LJQANCHMSA-N 1 0 338.455 3.397 20 10 EGCDRO CN(c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1)C1CCCCC1 ZINC000841757090 1321307432 /nfs/dbraw/zinc/30/74/32/1321307432.db2.gz DQMYGSKTHHIFSZ-QGZVFWFLSA-N 1 0 344.503 3.007 20 10 EGCDRO CCn1cncc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000841864844 1321324746 /nfs/dbraw/zinc/32/47/46/1321324746.db2.gz ZFFBKTDYSKNVOH-MRXNPFEDSA-N 1 0 348.878 3.016 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c1 ZINC000841889010 1321326279 /nfs/dbraw/zinc/32/62/79/1321326279.db2.gz XHMCUEOWRNQAAT-UHFFFAOYSA-N 1 0 333.350 3.334 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCC([NH3+])CC1 ZINC000841944928 1321330873 /nfs/dbraw/zinc/33/08/73/1321330873.db2.gz RVXLMENHPNNPES-UHFFFAOYSA-N 1 0 344.503 3.088 20 10 EGCDRO CC(C)[C@@H]([NH3+])CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000841944563 1321330966 /nfs/dbraw/zinc/33/09/66/1321330966.db2.gz LMVXRPUEBWRPOI-KRWDZBQOSA-N 1 0 333.476 3.220 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841981706 1321333789 /nfs/dbraw/zinc/33/37/89/1321333789.db2.gz GWGSUZBQOAEPRN-ROUUACIJSA-N 1 0 344.503 3.088 20 10 EGCDRO C[C@@H](CCCC[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841995173 1321334397 /nfs/dbraw/zinc/33/43/97/1321334397.db2.gz MDBAZOGMHBUQFW-HNNXBMFYSA-N 1 0 345.443 3.215 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)C(=O)NCc2cccs2)c1 ZINC000842750732 1321427531 /nfs/dbraw/zinc/42/75/31/1321427531.db2.gz XAGIYEKZOVDGTK-MRXNPFEDSA-N 1 0 348.468 3.037 20 10 EGCDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000842753055 1321427635 /nfs/dbraw/zinc/42/76/35/1321427635.db2.gz BSYBMTMHIHKFTF-GWCFXTLKSA-N 1 0 346.265 3.050 20 10 EGCDRO COc1cccc(-c2n[nH]cc2CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843057656 1321463927 /nfs/dbraw/zinc/46/39/27/1321463927.db2.gz QERIPBJCCZQPHA-UHFFFAOYSA-N 1 0 348.450 3.497 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843123093 1321473537 /nfs/dbraw/zinc/47/35/37/1321473537.db2.gz GUMACCBRWFSXQP-INIZCTEOSA-N 1 0 339.277 3.039 20 10 EGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125921 1321474040 /nfs/dbraw/zinc/47/40/40/1321474040.db2.gz CLNAMJLPXAQSEC-STQMWFEESA-N 1 0 326.843 3.396 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000843350252 1321503929 /nfs/dbraw/zinc/50/39/29/1321503929.db2.gz KNBOUWRIJICGLA-QFIPXVFZSA-N 1 0 349.478 3.165 20 10 EGCDRO C[C@H](c1ccccc1)N(C)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350222 1321504461 /nfs/dbraw/zinc/50/44/61/1321504461.db2.gz PTZDWVWPCRRFHG-MRXNPFEDSA-N 1 0 337.467 3.118 20 10 EGCDRO c1csc(CN(C[C@H]2CC[NH2+]C2)c2ccc3c(c2)OCCO3)c1 ZINC000843356427 1321505633 /nfs/dbraw/zinc/50/56/33/1321505633.db2.gz ONMISAJYMYBRAE-AWEZNQCLSA-N 1 0 330.453 3.135 20 10 EGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(N3CCOCC3)c(F)c1)CCOCC2 ZINC000843432298 1321518401 /nfs/dbraw/zinc/51/84/01/1321518401.db2.gz VKFLVPVQRGXWEK-MRXNPFEDSA-N 1 0 348.462 3.053 20 10 EGCDRO CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC[C@H]1[NH3+] ZINC000843471180 1321521217 /nfs/dbraw/zinc/52/12/17/1321521217.db2.gz OHQSCJQQEIKRHD-DNVCBOLYSA-N 1 0 343.446 3.433 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC[NH2+]CC1 ZINC000843486915 1321522452 /nfs/dbraw/zinc/52/24/52/1321522452.db2.gz XKRRLOBWFZRFEZ-INIZCTEOSA-N 1 0 338.451 3.482 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000844172944 1321575154 /nfs/dbraw/zinc/57/51/54/1321575154.db2.gz KSXNOKYXTFDENW-LJQANCHMSA-N 1 0 325.456 3.157 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000845900550 1321751911 /nfs/dbraw/zinc/75/19/11/1321751911.db2.gz AJTOUYQZWRAVFW-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1O ZINC000846141380 1321770559 /nfs/dbraw/zinc/77/05/59/1321770559.db2.gz OEZDLEHFYNBMBI-HNNXBMFYSA-N 1 0 341.455 3.111 20 10 EGCDRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)CC(C)C ZINC000846138722 1321770620 /nfs/dbraw/zinc/77/06/20/1321770620.db2.gz NFWMRSXVBLVTQU-KBPBESRZSA-N 1 0 338.448 3.212 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1O ZINC000846150625 1321771977 /nfs/dbraw/zinc/77/19/77/1321771977.db2.gz KNUKNKRPGPZZOO-INIZCTEOSA-N 1 0 348.487 3.087 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c1O ZINC000847074571 1321838562 /nfs/dbraw/zinc/83/85/62/1321838562.db2.gz KOLKIXQAIHHWPH-MRXNPFEDSA-N 1 0 339.407 3.190 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCc2ccc(F)cc2)cc1 ZINC000848394753 1321956969 /nfs/dbraw/zinc/95/69/69/1321956969.db2.gz UJHXUTBPPNHDJJ-LJQANCHMSA-N 1 0 343.446 3.031 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000848565874 1321977158 /nfs/dbraw/zinc/97/71/58/1321977158.db2.gz NLQPGRQCCBIXJK-OAHLLOKOSA-N 1 0 337.460 3.494 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000848885333 1322028889 /nfs/dbraw/zinc/02/88/89/1322028889.db2.gz TTYLNBMLNSFTQQ-OAHLLOKOSA-N 1 0 332.488 3.329 20 10 EGCDRO CCc1cccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1O ZINC000848886895 1322030197 /nfs/dbraw/zinc/03/01/97/1322030197.db2.gz KEJPDKOZYNEGEA-INIZCTEOSA-N 1 0 325.456 3.228 20 10 EGCDRO CCc1cccc(C[NH2+][C@H]2CCN(c3cccc(OC)c3)C2)c1O ZINC000848895066 1322033715 /nfs/dbraw/zinc/03/37/15/1322033715.db2.gz OSCVLFHJMHRIPC-KRWDZBQOSA-N 1 0 326.440 3.332 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3cccc(OC)c3)C2)c1O ZINC000848895068 1322034835 /nfs/dbraw/zinc/03/48/35/1322034835.db2.gz OSCVLFHJMHRIPC-QGZVFWFLSA-N 1 0 326.440 3.332 20 10 EGCDRO CCc1cccc(C[NH2+]CCc2nc3c(cccc3F)n2C)c1O ZINC000848899192 1322037017 /nfs/dbraw/zinc/03/70/17/1322037017.db2.gz DWZROGHKGRIXTR-UHFFFAOYSA-N 1 0 327.403 3.313 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)c2C)cc1 ZINC000848940552 1322048628 /nfs/dbraw/zinc/04/86/28/1322048628.db2.gz OWXAOIKRXWYCKZ-DNVCBOLYSA-N 1 0 341.455 3.055 20 10 EGCDRO CN(C)C(=O)C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000920183319 1322149094 /nfs/dbraw/zinc/14/90/94/1322149094.db2.gz KPANLBMIGQBELW-IBGZPJMESA-N 1 0 325.456 3.062 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(F)c2OC(F)F)c1 ZINC000850136706 1322197660 /nfs/dbraw/zinc/19/76/60/1322197660.db2.gz AIAWJWZIAOAWLO-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H](O)C(F)(F)F ZINC000850231966 1322211517 /nfs/dbraw/zinc/21/15/17/1322211517.db2.gz SKBGCHABSGLUAV-DZGCQCFKSA-N 1 0 349.393 3.490 20 10 EGCDRO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000850386683 1322237122 /nfs/dbraw/zinc/23/71/22/1322237122.db2.gz LKBWYVLDEAPVJD-IBGZPJMESA-N 1 0 342.414 3.145 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405414 1322240093 /nfs/dbraw/zinc/24/00/93/1322240093.db2.gz NHPOSKMMOUKDRW-UHFFFAOYSA-N 1 0 340.467 3.336 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406148 1322240327 /nfs/dbraw/zinc/24/03/27/1322240327.db2.gz ULJXXEAPBSJDRQ-UHFFFAOYSA-N 1 0 340.467 3.336 20 10 EGCDRO O=C1NCCCN1c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000850413095 1322241628 /nfs/dbraw/zinc/24/16/28/1322241628.db2.gz HDIJYPBEAOMSCZ-UHFFFAOYSA-N 1 0 345.830 3.255 20 10 EGCDRO CC[C@H]([NH2+]CCN(C)C(=O)OC)c1ccc(C(F)(F)F)cc1O ZINC000850547056 1322264227 /nfs/dbraw/zinc/26/42/27/1322264227.db2.gz ABTYWAWQTBYFCK-LBPRGKRZSA-N 1 0 334.338 3.150 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(Cl)ccc1O ZINC000850558429 1322267506 /nfs/dbraw/zinc/26/75/06/1322267506.db2.gz WSTGTZHDWLVWOJ-DOTOQJQBSA-N 1 0 338.879 3.340 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000850558383 1322267571 /nfs/dbraw/zinc/26/75/71/1322267571.db2.gz RIEJDALDTCBRAZ-BZPMIXESSA-N 1 0 334.435 3.316 20 10 EGCDRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850566204 1322269339 /nfs/dbraw/zinc/26/93/39/1322269339.db2.gz LTKNGOGGOYKDSA-INIZCTEOSA-N 1 0 342.487 3.276 20 10 EGCDRO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568299 1322269844 /nfs/dbraw/zinc/26/98/44/1322269844.db2.gz UZMFVIYHIXAXKZ-MRXNPFEDSA-N 1 0 339.483 3.456 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922315302 1322498816 /nfs/dbraw/zinc/49/88/16/1322498816.db2.gz ITQUMLNXVVYFJP-WOVMCDHWSA-N 1 0 346.471 3.405 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922800043 1322620882 /nfs/dbraw/zinc/62/08/82/1322620882.db2.gz UOMRLPLGXUWPFS-UHFFFAOYSA-N 1 0 325.408 3.302 20 10 EGCDRO CN(C)c1ccc(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1 ZINC000851629792 1323066034 /nfs/dbraw/zinc/06/60/34/1323066034.db2.gz XUKGBUZABXUHCX-SFHVURJKSA-N 1 0 337.467 3.061 20 10 EGCDRO COc1cc(N2CC[NH+](CCC=C(C)C)CC2)cc(OC)c1OC ZINC000851936632 1323118003 /nfs/dbraw/zinc/11/80/03/1323118003.db2.gz SHWVEPYYTPEJEG-UHFFFAOYSA-N 1 0 334.460 3.191 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cc(OC)ccn3)CC2)cc1 ZINC000924907783 1323209113 /nfs/dbraw/zinc/20/91/13/1323209113.db2.gz TWLPPCQGYFAAMC-OAHLLOKOSA-N 1 0 341.455 3.418 20 10 EGCDRO CCON1CCC([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000925013758 1323245384 /nfs/dbraw/zinc/24/53/84/1323245384.db2.gz WXBNENNPLKIIJL-UHFFFAOYSA-N 1 0 331.504 3.428 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(C)CCC3)C2)cc1C ZINC001026997823 1325135075 /nfs/dbraw/zinc/13/50/75/1325135075.db2.gz VTMVAAJKCZCUNY-QGZVFWFLSA-N 1 0 330.472 3.132 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCC3(C)C)C2)cc1C ZINC001027009358 1325148686 /nfs/dbraw/zinc/14/86/86/1325148686.db2.gz YUTSMGRWWNVTHX-ROUUACIJSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)C(C)(C)F)C3)C2)cc1C ZINC000963476376 1325273138 /nfs/dbraw/zinc/27/31/38/1325273138.db2.gz MDFVAQGYQQWFII-UHFFFAOYSA-N 1 0 348.462 3.269 20 10 EGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000856812322 1325531107 /nfs/dbraw/zinc/53/11/07/1325531107.db2.gz UJODXDFWCKLXSU-QGZVFWFLSA-N 1 0 343.496 3.095 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cn(C(C)C)nn3)C2)cc1 ZINC000926613090 1327635847 /nfs/dbraw/zinc/63/58/47/1327635847.db2.gz SDMKQAWUTXODBJ-CVEARBPZSA-N 1 0 343.475 3.045 20 10 EGCDRO CC(C)[NH2+]C1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862237126 1329469339 /nfs/dbraw/zinc/46/93/39/1329469339.db2.gz IJSLQSABQMTWDI-UHFFFAOYSA-N 1 0 327.266 3.117 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1F ZINC000862374237 1329479715 /nfs/dbraw/zinc/47/97/15/1329479715.db2.gz JWLGKNRHXIMUSK-FQEVSTJZSA-N 1 0 346.421 3.167 20 10 EGCDRO OCC[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862396868 1329482234 /nfs/dbraw/zinc/48/22/34/1329482234.db2.gz BJTLPRYEKLFQEW-LBPRGKRZSA-N 1 0 328.250 3.139 20 10 EGCDRO Cc1cc(CNC(=O)[C@@H]2CCc3cncn3C2)c(C)n1-c1ccccc1 ZINC000863164947 1329531735 /nfs/dbraw/zinc/53/17/35/1329531735.db2.gz XENLHYDKTZBNAD-QGZVFWFLSA-N 1 0 348.450 3.169 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866436242 1330112306 /nfs/dbraw/zinc/11/23/06/1330112306.db2.gz LJCLDYMQUATIPJ-PELKAZGASA-N 1 0 334.729 3.091 20 10 EGCDRO CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945221670 1332534542 /nfs/dbraw/zinc/53/45/42/1332534542.db2.gz KOGCVILTXUNBTC-BBRMVZONSA-N 1 0 345.447 3.089 20 10 EGCDRO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000948075453 1333367231 /nfs/dbraw/zinc/36/72/31/1333367231.db2.gz YWDWNNPYQTUCND-CJNGLKHVSA-N 1 0 345.447 3.088 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2c([O-])cc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205638300 1370823739 /nfs/dbraw/zinc/82/37/39/1370823739.db2.gz MBMVVIJJOUQTRQ-GHMZBOCLSA-N 1 0 345.256 3.101 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205651412 1370829034 /nfs/dbraw/zinc/82/90/34/1370829034.db2.gz DXYPFTFSDMVPPM-STQMWFEESA-N 1 0 341.293 3.270 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(C)c(C)o3)C2)cc1C ZINC001018717622 1339710977 /nfs/dbraw/zinc/71/09/77/1339710977.db2.gz YOHITSCNBVAGLS-KRWDZBQOSA-N 1 0 342.439 3.218 20 10 EGCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001034054600 1342195540 /nfs/dbraw/zinc/19/55/40/1342195540.db2.gz ZPPDLLFRVHFYNF-MRXNPFEDSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cccs2)cc1C ZINC001034847334 1342800707 /nfs/dbraw/zinc/80/07/07/1342800707.db2.gz WLXFMLWDWKJYBN-MRXNPFEDSA-N 1 0 344.480 3.460 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC=CCC2)cc1C ZINC001034859168 1342809250 /nfs/dbraw/zinc/80/92/50/1342809250.db2.gz QSPZAVNOCDAGLJ-RBUKOAKNSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(C)co2)cc1C ZINC001035021797 1342881227 /nfs/dbraw/zinc/88/12/27/1342881227.db2.gz JATHKSYYCYBFBF-QGZVFWFLSA-N 1 0 342.439 3.299 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(C)CC3)C[C@H]2C)cc1C ZINC001036041127 1343309081 /nfs/dbraw/zinc/30/90/81/1343309081.db2.gz GOLUCBDMUCULMH-NVXWUHKLSA-N 1 0 330.472 3.130 20 10 EGCDRO C/C=C(\C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001044536426 1346361828 /nfs/dbraw/zinc/36/18/28/1346361828.db2.gz VREJUCZCJYBIJA-AVIGNLCVSA-N 1 0 330.472 3.439 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3ccco3)C2)cc1C ZINC001047695196 1347335902 /nfs/dbraw/zinc/33/59/02/1347335902.db2.gz YOIPXCRYZCQYLG-WBVHZDCISA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C=C3CCC3)C2)cc1C ZINC001047798549 1347375740 /nfs/dbraw/zinc/37/57/40/1347375740.db2.gz ISHGXYCJHRHQGN-APWZRJJASA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(C)(C)C)C[C@@H]2C)cc1C ZINC001048447064 1347551807 /nfs/dbraw/zinc/55/18/07/1347551807.db2.gz FPOFRLOSHWKUPQ-RDJZCZTQSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)/C=C(\C)C3CC3)[C@H]2C)cc1C ZINC001074548274 1356207576 /nfs/dbraw/zinc/20/75/76/1356207576.db2.gz QLTGXEIEYWINJV-ZJBRJIHHSA-N 1 0 342.483 3.439 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC34CCC4)C2)cc1C ZINC001086492465 1359117897 /nfs/dbraw/zinc/11/78/97/1359117897.db2.gz AJZOVKPFYYQILQ-KZNAEPCWSA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[C@H](C)C3)C2)cc1C ZINC001086496335 1359120010 /nfs/dbraw/zinc/12/00/10/1359120010.db2.gz SNMWTORQCNDEDT-QZHFEQFPSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC001086502339 1359122051 /nfs/dbraw/zinc/12/20/51/1359122051.db2.gz VTWYWFMQCPXNSY-DSLXNQLJSA-N 1 0 342.483 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3CC(C)(C)C3)C2)cc1C ZINC001091010941 1360977572 /nfs/dbraw/zinc/97/75/72/1360977572.db2.gz OSHMNPGZGGCHKV-UHFFFAOYSA-N 1 0 344.499 3.424 20 10 EGCDRO CCC[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001091222289 1361013329 /nfs/dbraw/zinc/01/33/29/1361013329.db2.gz IZOSOYRNZBEZBF-JWHDQAAXSA-N 1 0 344.499 3.424 20 10 EGCDRO C[NH+](C)CCc1ccc(NC(=O)c2ccc(O)c(O)c2Cl)cc1 ZINC001193230038 1367972677 /nfs/dbraw/zinc/97/26/77/1367972677.db2.gz PGIYLRSZXPDAQY-UHFFFAOYSA-N 1 0 334.803 3.108 20 10 EGCDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197186867 1368761868 /nfs/dbraw/zinc/76/18/68/1368761868.db2.gz LWCLBBQDGGNZNL-HLAUDOPJSA-N 1 0 346.456 3.330 20 10 EGCDRO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001202437834 1369771640 /nfs/dbraw/zinc/77/16/40/1369771640.db2.gz HLXFUPWTJNQDOQ-UHFFFAOYSA-N 1 0 339.439 3.487 20 10 EGCDRO Oc1ccccc1C[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC001203551755 1370167259 /nfs/dbraw/zinc/16/72/59/1370167259.db2.gz MQBKCIOIVGEYQN-UHFFFAOYSA-N 1 0 325.437 3.324 20 10 EGCDRO COc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3OC)C2)c1O ZINC001203595975 1370182507 /nfs/dbraw/zinc/18/25/07/1370182507.db2.gz VWBYLPXEEALUEK-OAHLLOKOSA-N 1 0 329.396 3.063 20 10 EGCDRO COc1cccc(C[NH+]2CCC3(CC[C@H](COC(C)=O)C3)CC2)c1O ZINC001203601874 1370183864 /nfs/dbraw/zinc/18/38/64/1370183864.db2.gz PERHASRFHSPLJQ-INIZCTEOSA-N 1 0 347.455 3.346 20 10 EGCDRO CCOc1cccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1O ZINC001203617599 1370189590 /nfs/dbraw/zinc/18/95/90/1370189590.db2.gz RCXCUFHCHJXIBZ-ROUUACIJSA-N 1 0 338.451 3.359 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c1O ZINC001203617316 1370189669 /nfs/dbraw/zinc/18/96/69/1370189669.db2.gz NAMMLOIMLSQDHS-UHFFFAOYSA-N 1 0 330.403 3.252 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001203651442 1370201626 /nfs/dbraw/zinc/20/16/26/1370201626.db2.gz OMNXZFIWFUGSLE-STQMWFEESA-N 1 0 341.732 3.273 20 10 EGCDRO Cc1cnc2n1CCC21CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203655963 1370203483 /nfs/dbraw/zinc/20/34/83/1370203483.db2.gz GPUQUDAKXWTMKD-UHFFFAOYSA-N 1 0 331.847 3.488 20 10 EGCDRO O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203659048 1370204749 /nfs/dbraw/zinc/20/47/49/1370204749.db2.gz QPNDNHCJPIHQDH-MRXNPFEDSA-N 1 0 348.874 3.316 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001203665852 1370208095 /nfs/dbraw/zinc/20/80/95/1370208095.db2.gz YFMZRDMHBWEBMA-HOTGVXAUSA-N 1 0 326.843 3.444 20 10 EGCDRO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665462 1370208695 /nfs/dbraw/zinc/20/86/95/1370208695.db2.gz LHLIZYBLQZBPCO-OAHLLOKOSA-N 1 0 348.830 3.493 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)c1 ZINC001203823414 1370278802 /nfs/dbraw/zinc/27/88/02/1370278802.db2.gz DFCXNSULFDNCOV-UHFFFAOYSA-N 1 0 326.440 3.334 20 10 EGCDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(O)c(O)c1 ZINC001203879188 1370297266 /nfs/dbraw/zinc/29/72/66/1370297266.db2.gz GWYFRLDYHDFUPA-AWEZNQCLSA-N 1 0 331.412 3.144 20 10 EGCDRO Oc1ccc(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)cc1O ZINC001203879962 1370297653 /nfs/dbraw/zinc/29/76/53/1370297653.db2.gz KXGHJLXEDNVAIO-IBGZPJMESA-N 1 0 338.451 3.293 20 10 EGCDRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930737 1370319401 /nfs/dbraw/zinc/31/94/01/1370319401.db2.gz GXBQQSORCQAXLQ-NRFANRHFSA-N 1 0 345.531 3.075 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)cc1 ZINC001203933786 1370320873 /nfs/dbraw/zinc/32/08/73/1370320873.db2.gz QNUPTRMWAZARQU-LJQANCHMSA-N 1 0 341.499 3.023 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OCCO3)c2ccccc21 ZINC001204236512 1370418109 /nfs/dbraw/zinc/41/81/09/1370418109.db2.gz WSAMISFLWCNGOT-UHFFFAOYSA-N 1 0 326.440 3.245 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c2ccccc21 ZINC001204240906 1370418535 /nfs/dbraw/zinc/41/85/35/1370418535.db2.gz KFLROSYLCUJKNX-QGZVFWFLSA-N 1 0 337.467 3.103 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC12CC2 ZINC001204240933 1370418683 /nfs/dbraw/zinc/41/86/83/1370418683.db2.gz MBMLWCOXLXETEM-GOSISDBHSA-N 1 0 338.451 3.291 20 10 EGCDRO Oc1ccc(C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)c(O)c1 ZINC001204278078 1370430548 /nfs/dbraw/zinc/43/05/48/1370430548.db2.gz SDGSJTZHJMRLKM-UHFFFAOYSA-N 1 0 338.451 3.196 20 10 EGCDRO O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]12 ZINC001204324776 1370444712 /nfs/dbraw/zinc/44/47/12/1370444712.db2.gz OJUSPNPUMFGJJZ-UXHICEINSA-N 1 0 347.462 3.455 20 10 EGCDRO CCO[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H]2CCCO[C@H]12 ZINC001204327767 1370445485 /nfs/dbraw/zinc/44/54/85/1370445485.db2.gz HSSPFKXZUWNDRF-AQNXPRMDSA-N 1 0 330.472 3.055 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2[O-])CC[C@@H]1C[NH3+] ZINC001205638963 1370822641 /nfs/dbraw/zinc/82/26/41/1370822641.db2.gz TYJGZKUINQLCBQ-WDEREUQCSA-N 1 0 345.256 3.101 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2[O-])CCC[C@H]1C[NH3+] ZINC001206021736 1370940597 /nfs/dbraw/zinc/94/05/97/1370940597.db2.gz AVDSFXQEKXRPKU-MNOVXSKESA-N 1 0 345.256 3.101 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206024326 1370941421 /nfs/dbraw/zinc/94/14/21/1370941421.db2.gz INLQEEMWODFZPG-GOEBONIOSA-N 1 0 328.456 3.361 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)COc3ccccc32)c(O)c1C ZINC001116589359 1370941827 /nfs/dbraw/zinc/94/18/27/1370941827.db2.gz VEDILULARLVXFK-HNNXBMFYSA-N 1 0 340.423 3.085 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001207247391 1371342120 /nfs/dbraw/zinc/34/21/20/1371342120.db2.gz KICIZVBMVOLBPN-HNNXBMFYSA-N 1 0 346.471 3.397 20 10 EGCDRO COC(=O)N1CCC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209516865 1372127200 /nfs/dbraw/zinc/12/72/00/1372127200.db2.gz RBGCNXXSULROND-UHFFFAOYSA-N 1 0 341.455 3.368 20 10 EGCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2c2ccccc2)c(Cl)c1 ZINC001210226069 1372298880 /nfs/dbraw/zinc/29/88/80/1372298880.db2.gz AYKIKAJJNSOFDK-KRWDZBQOSA-N 1 0 332.831 3.201 20 10 EGCDRO CC[C@@H]1CCC[C@@]1(C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130261369 1373480406 /nfs/dbraw/zinc/48/04/06/1373480406.db2.gz AINSLLPKUMDLBS-YLJYHZDGSA-N 1 0 332.488 3.426 20 10 EGCDRO C[C@@H](Oc1cccc2c1C(=O)c1ccccc1C2=O)C1CC[NH2+]CC1 ZINC001218002663 1373531671 /nfs/dbraw/zinc/53/16/71/1373531671.db2.gz IWHGACPZRITZJW-CYBMUJFWSA-N 1 0 335.403 3.229 20 10 EGCDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001218031499 1373543192 /nfs/dbraw/zinc/54/31/92/1373543192.db2.gz PDNAEGCUCXQGLX-BFUOFWGJSA-N 1 0 335.403 3.229 20 10 EGCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCC34CC[NH2+]CC4)ccc21 ZINC001218078702 1373555626 /nfs/dbraw/zinc/55/56/26/1373555626.db2.gz AASQQCBUGBLIHA-LJQANCHMSA-N 1 0 347.414 3.373 20 10 EGCDRO O=C1C=CC(=NNc2ccccc2)C(OC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)=C1 ZINC001218083668 1373557053 /nfs/dbraw/zinc/55/70/53/1373557053.db2.gz PWFGAKDJEJCLHO-MFFSSMCOSA-N 1 0 339.395 3.421 20 10 EGCDRO Clc1ccnc2c1CC[C@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218211845 1373579053 /nfs/dbraw/zinc/57/90/53/1373579053.db2.gz NASPBOVNTINTAS-QGZVFWFLSA-N 1 0 329.831 3.211 20 10 EGCDRO O=C1c2ccccc2C(=O)c2cc(OC3CC4(C3)CCC[NH2+]C4)ccc21 ZINC001218255530 1373584742 /nfs/dbraw/zinc/58/47/42/1373584742.db2.gz YRHWBPHLFJGQNX-UHFFFAOYSA-N 1 0 347.414 3.373 20 10 EGCDRO C[C@@H](COc1ccc(N2CC[NH2+]CC2)cc1)OCc1ccccc1 ZINC001218306557 1373592191 /nfs/dbraw/zinc/59/21/91/1373592191.db2.gz ZHQZTXJHXZMZBS-KRWDZBQOSA-N 1 0 326.440 3.080 20 10 EGCDRO Cc1cc2cccnc2c(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001219122619 1373688958 /nfs/dbraw/zinc/68/89/58/1373688958.db2.gz UVRAMVSHKOUREN-UHFFFAOYSA-N 1 0 346.434 3.205 20 10 EGCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)cc1 ZINC001219203787 1373694715 /nfs/dbraw/zinc/69/47/15/1373694715.db2.gz NYIPRLSHCNCZAS-YSFKJANTSA-N 1 0 347.462 3.327 20 10 EGCDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001219639004 1373721601 /nfs/dbraw/zinc/72/16/01/1373721601.db2.gz TXWBFSHVMQKVEG-QYGWAJIQSA-N 1 0 342.374 3.237 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[C@H]2C2CC2)cc1C ZINC001131746549 1373783120 /nfs/dbraw/zinc/78/31/20/1373783120.db2.gz TWMWBDOPKSQKRV-OALUTQOASA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(F)ccc(C)c2F)cc1C ZINC001133308672 1375913756 /nfs/dbraw/zinc/91/37/56/1375913756.db2.gz UOXKDXPAZXEQHP-UHFFFAOYSA-N 1 0 348.393 3.110 20 10 EGCDRO C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001231569386 1376266378 /nfs/dbraw/zinc/26/63/78/1376266378.db2.gz XMXHAEPGPSKNQX-UHFFFAOYSA-N 1 0 346.471 3.319 20 10 EGCDRO Cc1cccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1O ZINC001231593024 1376274243 /nfs/dbraw/zinc/27/42/43/1376274243.db2.gz RYBFIDJVKQYIFU-SFHVURJKSA-N 1 0 331.456 3.251 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)c1 ZINC001231845379 1376325637 /nfs/dbraw/zinc/32/56/37/1376325637.db2.gz XVYQXZDKOMXJLT-DOTOQJQBSA-N 1 0 346.471 3.450 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001231844902 1376326014 /nfs/dbraw/zinc/32/60/14/1376326014.db2.gz QLLIRVJYBFTQCJ-WMZOPIPTSA-N 1 0 330.472 3.088 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)cc1Cl ZINC001231867100 1376328829 /nfs/dbraw/zinc/32/88/29/1376328829.db2.gz HQFGAJYSGHRWQZ-QMTHXVAHSA-N 1 0 337.769 3.489 20 10 EGCDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(Cl)c(C)cc3O)C[C@@H]2C)C1=O ZINC001231868880 1376332077 /nfs/dbraw/zinc/33/20/77/1376332077.db2.gz YPCGQARDUQRYBM-UGSOOPFHSA-N 1 0 336.863 3.044 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C=C2CCC2)cc1C ZINC001134114915 1376375783 /nfs/dbraw/zinc/37/57/83/1376375783.db2.gz OIAKKRRYPUVEEW-HZPDHXFCSA-N 1 0 330.472 3.487 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)c(O)cc2O)cc1OC ZINC001232262066 1376426591 /nfs/dbraw/zinc/42/65/91/1376426591.db2.gz YXZSDDVOYASJJD-UHFFFAOYSA-N 1 0 337.803 3.400 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)cc1Cl ZINC001232269329 1376427631 /nfs/dbraw/zinc/42/76/31/1376427631.db2.gz VXZAAQWDLUYAPV-ZDUSSCGKSA-N 1 0 334.803 3.103 20 10 EGCDRO [O-]c1c(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)ccc(F)c1F ZINC001233079348 1376565604 /nfs/dbraw/zinc/56/56/04/1376565604.db2.gz AKEOUOMUSFYWFM-UHFFFAOYSA-N 1 0 338.329 3.248 20 10 EGCDRO C[C@@]1(O)CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001233194050 1376582844 /nfs/dbraw/zinc/58/28/44/1376582844.db2.gz KEFQUNNZSZPDBS-MRXNPFEDSA-N 1 0 336.229 3.265 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001233287935 1376604495 /nfs/dbraw/zinc/60/44/95/1376604495.db2.gz OBYLVMVRXVBWFV-HOTGVXAUSA-N 1 0 343.810 3.466 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc1O ZINC001233486953 1376653185 /nfs/dbraw/zinc/65/31/85/1376653185.db2.gz JIRYNIDTYSVXGV-AWEZNQCLSA-N 1 0 335.400 3.309 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736042 1376706158 /nfs/dbraw/zinc/70/61/58/1376706158.db2.gz BSOAQPJQQMHABU-SMDDNHRTSA-N 1 0 331.334 3.292 20 10 EGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768317 1376712033 /nfs/dbraw/zinc/71/20/33/1376712033.db2.gz PAKZYPJOOPRVIH-NSHDSACASA-N 1 0 347.333 3.066 20 10 EGCDRO Oc1cccc(OC(F)(F)F)c1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041195 1376839580 /nfs/dbraw/zinc/83/95/80/1376839580.db2.gz YCFCXJNCPNSKFR-MRXNPFEDSA-N 1 0 344.377 3.399 20 10 EGCDRO Cc1cc(N2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)nc(C)n1 ZINC001237053056 1376970970 /nfs/dbraw/zinc/97/09/70/1376970970.db2.gz FZYOUTSBAJTNMD-UHFFFAOYSA-N 1 0 340.471 3.245 20 10 EGCDRO CC(C)c1ccc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c(O)c1 ZINC001237052292 1376971001 /nfs/dbraw/zinc/97/10/01/1376971001.db2.gz VTZDIVZYJRKKHZ-UHFFFAOYSA-N 1 0 345.418 3.488 20 10 EGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237053467 1376971603 /nfs/dbraw/zinc/97/16/03/1376971603.db2.gz MKHLXTGDUPKVMB-LRDDRELGSA-N 1 0 345.361 3.334 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c(O)c(OC)c1 ZINC001237675036 1376982564 /nfs/dbraw/zinc/98/25/64/1376982564.db2.gz QWJZFGZGYFPBSQ-CQSZACIVSA-N 1 0 343.423 3.408 20 10 EGCDRO CCCCCC[NH+]1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676224 1376983343 /nfs/dbraw/zinc/98/33/43/1376983343.db2.gz LDBOOHJFNVBJKW-UHFFFAOYSA-N 1 0 336.476 3.107 20 10 EGCDRO CC[C@@]1(C(C)C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001136087987 1377338893 /nfs/dbraw/zinc/33/88/93/1377338893.db2.gz RKFUMPCIEMULJY-XLIONFOSSA-N 1 0 332.488 3.282 20 10 EGCDRO Oc1cccc(F)c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001137837547 1377627155 /nfs/dbraw/zinc/62/71/55/1377627155.db2.gz LHTLJAXKWGTCTL-VQIMIIECSA-N 1 0 326.415 3.238 20 10 EGCDRO Oc1cccc(F)c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001137837544 1377627216 /nfs/dbraw/zinc/62/72/16/1377627216.db2.gz LHTLJAXKWGTCTL-APWZRJJASA-N 1 0 326.415 3.238 20 10 EGCDRO CC(=O)N1CCC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137854460 1377631786 /nfs/dbraw/zinc/63/17/86/1377631786.db2.gz XTODYDCRVAFNRT-UHFFFAOYSA-N 1 0 325.456 3.148 20 10 EGCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129446 1377682881 /nfs/dbraw/zinc/68/28/81/1377682881.db2.gz DGXJGYUPTYFSRL-MJGOQNOKSA-N 1 0 340.442 3.485 20 10 EGCDRO FC1CC[NH+](C2CN(Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC001138219832 1377690726 /nfs/dbraw/zinc/69/07/26/1377690726.db2.gz PSSBNAWMJBAWLB-UHFFFAOYSA-N 1 0 331.479 3.295 20 10 EGCDRO Cc1c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c2ccccc2n1C ZINC001138256599 1377694896 /nfs/dbraw/zinc/69/48/96/1377694896.db2.gz CEDKZYDRDMLKQX-UHFFFAOYSA-N 1 0 339.483 3.321 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(OC)c1 ZINC001138386412 1377714092 /nfs/dbraw/zinc/71/40/92/1377714092.db2.gz MJTZITXCWJUEGT-LJQANCHMSA-N 1 0 338.467 3.228 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c(OC)c1 ZINC001138392084 1377714371 /nfs/dbraw/zinc/71/43/71/1377714371.db2.gz PDNBOTNOUWMESK-KRWDZBQOSA-N 1 0 333.520 3.456 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)OC)C2)c(OC)c1 ZINC001138390193 1377714641 /nfs/dbraw/zinc/71/46/41/1377714641.db2.gz OXAFSVZDWCHEKN-WBVHZDCISA-N 1 0 348.487 3.172 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(OC)c1 ZINC001138391929 1377714749 /nfs/dbraw/zinc/71/47/49/1377714749.db2.gz JOOPBGQXXCPYLU-QAPCUYQASA-N 1 0 330.472 3.342 20 10 EGCDRO CCc1nnc(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)o1 ZINC001139672754 1377931590 /nfs/dbraw/zinc/93/15/90/1377931590.db2.gz FSHCDOWMVHCDGI-UHFFFAOYSA-N 1 0 328.460 3.386 20 10 EGCDRO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674631 1377932192 /nfs/dbraw/zinc/93/21/92/1377932192.db2.gz YQPOCOGCSBWWID-SFHVURJKSA-N 1 0 325.456 3.418 20 10 EGCDRO O=C1Nc2c(cccc2F)C12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140055673 1377996729 /nfs/dbraw/zinc/99/67/29/1377996729.db2.gz OUPGZLDSDXMXIJ-UHFFFAOYSA-N 1 0 344.361 3.156 20 10 EGCDRO CCN(CC[NH+](CC)CC)Cc1c(O)cccc1Br ZINC001140101529 1378007636 /nfs/dbraw/zinc/00/76/36/1378007636.db2.gz SFFSPSNTJBCOKB-UHFFFAOYSA-N 1 0 329.282 3.318 20 10 EGCDRO Oc1cccc(Br)c1CN1CCC[C@@H]1c1cnccn1 ZINC001140100788 1378007821 /nfs/dbraw/zinc/00/78/21/1378007821.db2.gz BRIXOPRWBIHJQE-CQSZACIVSA-N 1 0 334.217 3.282 20 10 EGCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC001140103497 1378008804 /nfs/dbraw/zinc/00/88/04/1378008804.db2.gz MCTFGCIYJJTFKM-LBPRGKRZSA-N 1 0 327.266 3.069 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCN(CCc3cccs3)CC2)c1O ZINC001140179034 1378026328 /nfs/dbraw/zinc/02/63/28/1378026328.db2.gz FNJOCKNWVHIDBE-UHFFFAOYSA-N 1 0 330.497 3.431 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)c1O ZINC001140181895 1378027087 /nfs/dbraw/zinc/02/70/87/1378027087.db2.gz YYEACWQMTPQGSX-GOSISDBHSA-N 1 0 342.483 3.280 20 10 EGCDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(C)ccc(C)c3O)O2)n1 ZINC001140181214 1378027178 /nfs/dbraw/zinc/02/71/78/1378027178.db2.gz QJACSDWFQZXSLK-BRWVUGGUSA-N 1 0 343.427 3.195 20 10 EGCDRO O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140338929 1378048357 /nfs/dbraw/zinc/04/83/57/1378048357.db2.gz BDJAJSVKBPZCKV-HNNXBMFYSA-N 1 0 348.874 3.316 20 10 EGCDRO Oc1cccc(CN2CCc3cccc(O)c3C2)c1Br ZINC001140553105 1378084549 /nfs/dbraw/zinc/08/45/49/1378084549.db2.gz UXLRCCNJNRQRAZ-UHFFFAOYSA-N 1 0 334.213 3.419 20 10 EGCDRO COc1ccc(CC[N@@H+](Cc2cc(C)ccc2O)C[C@H](C)O)cc1 ZINC001140617462 1378098607 /nfs/dbraw/zinc/09/86/07/1378098607.db2.gz PLPBOPRBEOJYJP-INIZCTEOSA-N 1 0 329.440 3.135 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001140624498 1378100279 /nfs/dbraw/zinc/10/02/79/1378100279.db2.gz YMHCVDXTFVEYFS-GOSISDBHSA-N 1 0 336.435 3.321 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CCCOC2)CC1 ZINC001140664977 1378110059 /nfs/dbraw/zinc/11/00/59/1378110059.db2.gz ZCROWAOLVCCBMX-UHFFFAOYSA-N 1 0 348.462 3.055 20 10 EGCDRO COc1ccccc1OC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749015 1378129116 /nfs/dbraw/zinc/12/91/16/1378129116.db2.gz OKFQNCJNXBIGCX-UHFFFAOYSA-N 1 0 343.423 3.458 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001140855422 1378158629 /nfs/dbraw/zinc/15/86/29/1378158629.db2.gz YKWVTGMEIPHDPQ-IBGZPJMESA-N 1 0 341.455 3.287 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CC(=O)OC)CC2)c(O)c1 ZINC001140853070 1378158726 /nfs/dbraw/zinc/15/87/26/1378158726.db2.gz LDRKQMGIQRMZBO-UHFFFAOYSA-N 1 0 334.460 3.014 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c(Cl)c1 ZINC001140924963 1378181708 /nfs/dbraw/zinc/18/17/08/1378181708.db2.gz XTWBANCYIOBLIU-GOSISDBHSA-N 1 0 335.879 3.041 20 10 EGCDRO Cc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3Cl)C2)n1 ZINC001140926568 1378183083 /nfs/dbraw/zinc/18/30/83/1378183083.db2.gz OGOUFEYLTGEBGO-INIZCTEOSA-N 1 0 346.862 3.158 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c(Cl)c1 ZINC001140925666 1378183407 /nfs/dbraw/zinc/18/34/07/1378183407.db2.gz UNMXSFYEDQHQIH-OAHLLOKOSA-N 1 0 330.806 3.406 20 10 EGCDRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c(O)c1 ZINC001140950220 1378190699 /nfs/dbraw/zinc/19/06/99/1378190699.db2.gz WAVBSMYKWXPJBM-IBGZPJMESA-N 1 0 336.435 3.154 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001140952426 1378191313 /nfs/dbraw/zinc/19/13/13/1378191313.db2.gz RMWIYMGJNFNZNS-AZUAARDMSA-N 1 0 331.456 3.251 20 10 EGCDRO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCC2(C1)OCCO2 ZINC001141077960 1378233862 /nfs/dbraw/zinc/23/38/62/1378233862.db2.gz GNGYPFGYLKSWDS-LJQANCHMSA-N 1 0 342.483 3.113 20 10 EGCDRO CN1CCOc2cc(C[N@H+](C)Cc3ccc(-n4ccnc4)cc3)ccc21 ZINC001141144521 1378248135 /nfs/dbraw/zinc/24/81/35/1378248135.db2.gz GBRISQLZTCUQQN-UHFFFAOYSA-N 1 0 348.450 3.333 20 10 EGCDRO CN1CCOc2cc(C[NH+]3CCC4(CCC(C)(C)O4)CC3)ccc21 ZINC001141144149 1378248823 /nfs/dbraw/zinc/24/88/23/1378248823.db2.gz BGDJRKZYDPNPMK-UHFFFAOYSA-N 1 0 330.472 3.439 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CC[NH+](CCc2cccs2)CC1 ZINC001142521131 1378452357 /nfs/dbraw/zinc/45/23/57/1378452357.db2.gz YVOSEBBKMKMMII-UHFFFAOYSA-N 1 0 338.423 3.092 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3cccc4n[nH]cc43)CC2)cc1 ZINC001143101274 1378540209 /nfs/dbraw/zinc/54/02/09/1378540209.db2.gz DQHOEEDTCPDCKL-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO Oc1cc(O)c(C[N@H+](Cc2ccccc2)Cc2cccnc2)c(O)c1 ZINC001144509134 1378738872 /nfs/dbraw/zinc/73/88/72/1378738872.db2.gz LXDRTOWRELNXLV-UHFFFAOYSA-N 1 0 336.391 3.401 20 10 EGCDRO COc1ccc(C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144508993 1378739048 /nfs/dbraw/zinc/73/90/48/1378739048.db2.gz GRJIMIMFBBOEAR-UHFFFAOYSA-N 1 0 329.396 3.192 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc3c(s2)CCC3)cc1C ZINC001150013210 1379484378 /nfs/dbraw/zinc/48/43/78/1379484378.db2.gz GPBZPZCWMXFESJ-UHFFFAOYSA-N 1 0 344.480 3.073 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C)c(C)o2)cc1C ZINC001156593331 1380597820 /nfs/dbraw/zinc/59/78/20/1380597820.db2.gz JBZLJIUJYKRXHM-UHFFFAOYSA-N 1 0 330.428 3.123 20 10 EGCDRO Cc1cc(Cl)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156651357 1380604361 /nfs/dbraw/zinc/60/43/61/1380604361.db2.gz LALRJOLMWUHANN-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cnc(-c4ccco4)cn3)cc2)CC1 ZINC001156656162 1380605519 /nfs/dbraw/zinc/60/55/19/1380605519.db2.gz QMOJFPKVBGYTFN-UHFFFAOYSA-N 1 0 349.438 3.101 20 10 EGCDRO O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158225874 1381166747 /nfs/dbraw/zinc/16/67/47/1381166747.db2.gz VGJOGBNWYCERND-CKVSNKFESA-N 1 0 336.395 3.384 20 10 EGCDRO O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158430381 1381242787 /nfs/dbraw/zinc/24/27/87/1381242787.db2.gz HJNLLSMPMBHXQM-IPCNLGOESA-N 1 0 336.395 3.384 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@]2(C)CC=CCC2)cc1C ZINC001158791787 1381401370 /nfs/dbraw/zinc/40/13/70/1381401370.db2.gz MLUQVHMJNHKOMC-FQEVSTJZSA-N 1 0 330.472 3.346 20 10 EGCDRO Oc1ccc(Br)cc1CNc1cc(-n2ccnc2)cc[nH+]1 ZINC001160019018 1381969341 /nfs/dbraw/zinc/96/93/41/1381969341.db2.gz QPLZEOGEZPIEPY-UHFFFAOYSA-N 1 0 345.200 3.348 20 10 EGCDRO C[C@@H]([NH3+])C(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21 ZINC001160930518 1382238322 /nfs/dbraw/zinc/23/83/22/1382238322.db2.gz TVQHEGHMTDINLS-MRXNPFEDSA-N 1 0 334.463 3.413 20 10 EGCDRO CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)[C@@H]1CC[NH2+]1 ZINC001160929731 1382238364 /nfs/dbraw/zinc/23/83/64/1382238364.db2.gz LDZUNRZXQLITPA-QFIPXVFZSA-N 1 0 346.474 3.427 20 10 EGCDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3c(c2)C2(CN3)CCOCC2)C1 ZINC001162847869 1382893548 /nfs/dbraw/zinc/89/35/48/1382893548.db2.gz YYAPJWFXXTUDDS-MRXNPFEDSA-N 1 0 335.451 3.182 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CC[C@@H](C)C2)cc1C ZINC001164172279 1383162663 /nfs/dbraw/zinc/16/26/63/1383162663.db2.gz UXKIRUCHCCOUDQ-WBVHZDCISA-N 1 0 332.488 3.426 20 10 EGCDRO CC1(C)COc2ccc(N(Cc3ccccc3)C3(C[NH3+])COC3)cc21 ZINC001167378563 1383615990 /nfs/dbraw/zinc/61/59/90/1383615990.db2.gz WLNPYDNZWRJWIH-UHFFFAOYSA-N 1 0 338.451 3.091 20 10 EGCDRO CC[N+](C)(C)Cc1ccccc1NCCc1cc(O)c(O)cc1O ZINC001168005253 1383795082 /nfs/dbraw/zinc/79/50/82/1383795082.db2.gz BMUJECVIXAECDR-UHFFFAOYSA-O 1 0 331.436 3.054 20 10 EGCDRO COc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(O)cc3O)CCO2)cc1 ZINC001168598193 1383945307 /nfs/dbraw/zinc/94/53/07/1383945307.db2.gz DGZNQKKNGRSREX-BEFAXECRSA-N 1 0 329.396 3.116 20 10 EGCDRO Cc1nc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)sc1C ZINC001328921838 1388903054 /nfs/dbraw/zinc/90/30/54/1388903054.db2.gz LMCRUTGCHQVHEV-UHFFFAOYSA-N 1 0 325.428 3.436 20 10 EGCDRO CC(=O)N1CCC[C@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)C1 ZINC001169598506 1384163670 /nfs/dbraw/zinc/16/36/70/1384163670.db2.gz WPNFWTWADPLTBG-HNAYVOBHSA-N 1 0 330.472 3.233 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]2C2CCCC2)cc1C ZINC001169678538 1384172421 /nfs/dbraw/zinc/17/24/21/1384172421.db2.gz DBHFKJLICZGBKC-OALUTQOASA-N 1 0 344.499 3.426 20 10 EGCDRO CCOC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001169712186 1384176627 /nfs/dbraw/zinc/17/66/27/1384176627.db2.gz YAWKTDSEFHXEBZ-GOSISDBHSA-N 1 0 333.476 3.195 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1C ZINC001169766269 1384184258 /nfs/dbraw/zinc/18/42/58/1384184258.db2.gz PMPDLGQKBRWLCG-PXNSSMCTSA-N 1 0 332.488 3.282 20 10 EGCDRO COCCOc1ccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC001170626211 1384353280 /nfs/dbraw/zinc/35/32/80/1384353280.db2.gz BOFFUVYTMDWHMI-UHFFFAOYSA-N 1 0 344.499 3.446 20 10 EGCDRO Oc1ccccc1CN1CCC([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785534 1384636389 /nfs/dbraw/zinc/63/63/89/1384636389.db2.gz OZXFVBBGFOEBGF-GOSISDBHSA-N 1 0 340.442 3.253 20 10 EGCDRO COC(=O)N1CCC([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1 ZINC001172737085 1384841113 /nfs/dbraw/zinc/84/11/13/1384841113.db2.gz YFUUVVLUBBWABC-SFHVURJKSA-N 1 0 346.471 3.453 20 10 EGCDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001172746917 1384842723 /nfs/dbraw/zinc/84/27/23/1384842723.db2.gz WCNYMOMOUKQWGK-MRXNPFEDSA-N 1 0 348.487 3.067 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173141683 1384923236 /nfs/dbraw/zinc/92/32/36/1384923236.db2.gz RGJWBJHBZXPOIN-LLVKDONJSA-N 1 0 339.258 3.258 20 10 EGCDRO Oc1ccc([C@@H](O)C[NH2+]C2CCC(Oc3ccccc3)CC2)cc1O ZINC001173194600 1384934255 /nfs/dbraw/zinc/93/42/55/1384934255.db2.gz WHCIPAONZONZIJ-LAGYLCCXSA-N 1 0 343.423 3.111 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(F)cc(F)c2)cc1C ZINC001175421944 1385282374 /nfs/dbraw/zinc/28/23/74/1385282374.db2.gz HMCDFKCBJJKDCP-UHFFFAOYSA-N 1 0 348.393 3.192 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)CC(C2CC2)C2CC2)cc1C ZINC001177042595 1385783242 /nfs/dbraw/zinc/78/32/42/1385783242.db2.gz QNTGZJFXJKXBAT-UHFFFAOYSA-N 1 0 344.499 3.426 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001178701538 1386283024 /nfs/dbraw/zinc/28/30/24/1386283024.db2.gz MPMCYGWQOADTNG-CRAIPNDOSA-N 1 0 330.472 3.233 20 10 EGCDRO C[C@H]([NH2+]CCC1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC001319767352 1386287190 /nfs/dbraw/zinc/28/71/90/1386287190.db2.gz VYELFSKXADVPTG-HNNXBMFYSA-N 1 0 336.451 3.130 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC001321022819 1386786505 /nfs/dbraw/zinc/78/65/05/1386786505.db2.gz JXQAIXHGBIHQJU-HUUCEWRRSA-N 1 0 340.471 3.399 20 10 EGCDRO COc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)ccc1F ZINC001321084833 1386805460 /nfs/dbraw/zinc/80/54/60/1386805460.db2.gz QCSKSQXJHOWETQ-UHFFFAOYSA-N 1 0 332.419 3.411 20 10 EGCDRO O=C(NCc1ccccc1O)C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC001181491363 1387003865 /nfs/dbraw/zinc/00/38/65/1387003865.db2.gz BZJMAZBXIJTAIE-UHFFFAOYSA-N 1 0 336.435 3.063 20 10 EGCDRO CN1CCN(c2ccc(C[NH+]3C4CCCC3CCC4)cc2F)CC1 ZINC001337041741 1389243332 /nfs/dbraw/zinc/24/33/32/1389243332.db2.gz BKDTUJRIFPJFHC-UHFFFAOYSA-N 1 0 331.479 3.485 20 10 EGCDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001337042458 1389243340 /nfs/dbraw/zinc/24/33/40/1389243340.db2.gz NLBHXNFUCNBJDX-JKSUJKDBSA-N 1 0 338.492 3.378 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2F)CC1 ZINC001330300158 1389382305 /nfs/dbraw/zinc/38/23/05/1389382305.db2.gz MJEKKQPRGLOELS-HXUWFJFHSA-N 1 0 339.458 3.355 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccc3c[nH]nc32)N(C)C)cc1 ZINC001337791708 1389444236 /nfs/dbraw/zinc/44/42/36/1389444236.db2.gz NALWTJBPNHYIKP-IBGZPJMESA-N 1 0 337.471 3.021 20 10 EGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001338752209 1389752556 /nfs/dbraw/zinc/75/25/56/1389752556.db2.gz UCHDMGOICDKMLL-SJORKVTESA-N 1 0 333.495 3.493 20 10 EGCDRO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001331450513 1389753379 /nfs/dbraw/zinc/75/33/79/1389753379.db2.gz HFDVUELPAGSJNR-INIZCTEOSA-N 1 0 346.519 3.110 20 10 EGCDRO COc1ccc(COCC[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC001331565557 1389803768 /nfs/dbraw/zinc/80/37/68/1389803768.db2.gz KEDDBDZNZJVVDO-UHFFFAOYSA-N 1 0 331.412 3.024 20 10 EGCDRO C[C@@H]1CCc2ccccc2N1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC001341803568 1390531213 /nfs/dbraw/zinc/53/12/13/1390531213.db2.gz YPTNKUUJTFLYNG-CQSZACIVSA-N 1 0 340.423 3.052 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2N(C)C)c(O)c1OC ZINC001335533530 1390700423 /nfs/dbraw/zinc/70/04/23/1390700423.db2.gz LFIHRBUFMWTNDO-UHFFFAOYSA-N 1 0 330.428 3.107 20 10 EGCDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC001348085736 1391170942 /nfs/dbraw/zinc/17/09/42/1391170942.db2.gz KDBFJSOMLYZGHX-ZIAGYGMSSA-N 1 0 327.266 3.117 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC001348493044 1391228096 /nfs/dbraw/zinc/22/80/96/1391228096.db2.gz OJBMKOQSFPAELH-HNNXBMFYSA-N 1 0 339.474 3.311 20 10 EGCDRO CCC[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CCN(C)C1 ZINC001350625480 1391493697 /nfs/dbraw/zinc/49/36/97/1391493697.db2.gz CGGQRVHJEINQTO-CQSZACIVSA-N 1 0 327.266 3.071 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCc2cccs2)cc1C ZINC001752918345 1440247879 /nfs/dbraw/zinc/24/78/79/1440247879.db2.gz ZIOGQPGOESGIMH-OAHLLOKOSA-N 1 0 346.496 3.292 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC2(C)C)cc1C ZINC001753640620 1440454301 /nfs/dbraw/zinc/45/43/01/1440454301.db2.gz STTKIGFYKDRJIO-PBHICJAKSA-N 1 0 332.488 3.282 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC23CC3)cc1C ZINC001754139145 1440544056 /nfs/dbraw/zinc/54/40/56/1440544056.db2.gz WYPGVDUETLQQEU-DDKKJVIOSA-N 1 0 342.483 3.346 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)c3c(C)coc3C)CC2)cc1C ZINC001754512927 1440617899 /nfs/dbraw/zinc/61/78/99/1440617899.db2.gz BHYAIHGMNXKEJI-UHFFFAOYSA-N 1 0 342.439 3.266 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(C(F)F)CC2)cc1C ZINC001755254560 1440792806 /nfs/dbraw/zinc/79/28/06/1440792806.db2.gz RRRNZVOXSHECTR-CHWSQXEVSA-N 1 0 340.414 3.032 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000835075552 1126111693 /nfs/dbraw/zinc/11/16/93/1126111693.db2.gz YGUQJEKIBJYHSB-GOSISDBHSA-N 1 0 329.440 3.101 20 10 EGCDRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326255771 1126172862 /nfs/dbraw/zinc/17/28/62/1126172862.db2.gz ICDMZJRPAGYHTC-IBGZPJMESA-N 1 0 328.431 3.119 20 10 EGCDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000054572032 214245375 /nfs/dbraw/zinc/24/53/75/214245375.db2.gz BEMXYDHGMBQUDZ-UHFFFAOYSA-N 1 0 347.418 3.457 20 10 EGCDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000183308312 455275981 /nfs/dbraw/zinc/27/59/81/455275981.db2.gz YDTWHDVGAWKHFX-OAHLLOKOSA-N 1 0 342.439 3.155 20 10 EGCDRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1O ZINC000183390877 455287097 /nfs/dbraw/zinc/28/70/97/455287097.db2.gz XXPZKAGCEGCUPE-QFBILLFUSA-N 1 0 326.440 3.116 20 10 EGCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000013068514 453442401 /nfs/dbraw/zinc/44/24/01/453442401.db2.gz LRCZTZOZFUCTRD-IBGZPJMESA-N 1 0 325.456 3.308 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(OC)c2O)cc1 ZINC000068489144 454031283 /nfs/dbraw/zinc/03/12/83/454031283.db2.gz VABFQMIJGOCHBN-UHFFFAOYSA-N 1 0 342.439 3.173 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000077221149 454077582 /nfs/dbraw/zinc/07/75/82/454077582.db2.gz NFCYAHKFZTVMMD-UHFFFAOYSA-N 1 0 326.440 3.212 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000089515950 454158367 /nfs/dbraw/zinc/15/83/67/454158367.db2.gz IFRRXQLQABCBLE-OAHLLOKOSA-N 1 0 341.455 3.441 20 10 EGCDRO C[C@@H](c1ccccc1)[N@H+](CCCS(C)(=O)=O)Cc1ccccc1O ZINC000119282283 454183108 /nfs/dbraw/zinc/18/31/08/454183108.db2.gz QPLIVICXKYFJPB-INIZCTEOSA-N 1 0 347.480 3.390 20 10 EGCDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000089728913 454184248 /nfs/dbraw/zinc/18/42/48/454184248.db2.gz HWUDIVYKDUPNHG-LPHOPBHVSA-N 1 0 329.488 3.337 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078524155 454268708 /nfs/dbraw/zinc/26/87/08/454268708.db2.gz CAJYMHQSZQTZLB-SFHVURJKSA-N 1 0 346.519 3.014 20 10 EGCDRO Cc1cnccc1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090847454 454345521 /nfs/dbraw/zinc/34/55/21/454345521.db2.gz RIDSMCFWJWKLJI-MRXNPFEDSA-N 1 0 343.446 3.259 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c[nH]nc2c1 ZINC000121298060 454418448 /nfs/dbraw/zinc/41/84/48/454418448.db2.gz VXIRPDWNCWFVSF-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)OCO2 ZINC000091891481 454484561 /nfs/dbraw/zinc/48/45/61/454484561.db2.gz MBQVIYZICUHCSU-ZFWWWQNUSA-N 1 0 347.436 3.271 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(OC)c3)CC2)cc1 ZINC000102432845 454505024 /nfs/dbraw/zinc/50/50/24/454505024.db2.gz KBOKPKUJQFIERO-UHFFFAOYSA-N 1 0 326.440 3.462 20 10 EGCDRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000134270014 454522115 /nfs/dbraw/zinc/52/21/15/454522115.db2.gz BGRPCMVBQPMBEQ-LRDDRELGSA-N 1 0 336.863 3.172 20 10 EGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000105446726 454639127 /nfs/dbraw/zinc/63/91/27/454639127.db2.gz OBMRYFVIFGZDCT-HNNXBMFYSA-N 1 0 344.430 3.089 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N(C)C)cc1 ZINC000123992100 454692731 /nfs/dbraw/zinc/69/27/31/454692731.db2.gz RTKXTZDRVUEHLY-MAUKXSAKSA-N 1 0 337.467 3.488 20 10 EGCDRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(N(C)C)c(F)c3)c(C)n2n1 ZINC000093403375 454712985 /nfs/dbraw/zinc/71/29/85/454712985.db2.gz QGZWXLHWUYIHHN-CYBMUJFWSA-N 1 0 341.434 3.402 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CC(=O)NC)CC2)cc1F ZINC000093588014 454722770 /nfs/dbraw/zinc/72/27/70/454722770.db2.gz KXBINRDLGBNDDX-UHFFFAOYSA-N 1 0 335.467 3.020 20 10 EGCDRO COc1cccc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000127134548 454940232 /nfs/dbraw/zinc/94/02/32/454940232.db2.gz RLOHYUDMLBVNIO-AWEZNQCLSA-N 1 0 338.411 3.175 20 10 EGCDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185116485 455504440 /nfs/dbraw/zinc/50/44/40/455504440.db2.gz PKHNSMGJBZPJQT-NSHDSACASA-N 1 0 347.286 3.196 20 10 EGCDRO CCC[N@H+](CC(=O)NCc1sccc1C)Cc1ccccc1O ZINC000170779149 454976407 /nfs/dbraw/zinc/97/64/07/454976407.db2.gz ADBALHUDAGYORV-UHFFFAOYSA-N 1 0 332.469 3.291 20 10 EGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000179901464 455096143 /nfs/dbraw/zinc/09/61/43/455096143.db2.gz CXZYIWLNQKGOKN-AWEZNQCLSA-N 1 0 344.434 3.229 20 10 EGCDRO Cc1cccc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000180055881 455124439 /nfs/dbraw/zinc/12/44/39/455124439.db2.gz FUQDPAFKJCMCBH-HNNXBMFYSA-N 1 0 334.460 3.389 20 10 EGCDRO CC[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccccc1O ZINC000156662599 455142015 /nfs/dbraw/zinc/14/20/15/455142015.db2.gz PBFZJAWZFUFOID-MRXNPFEDSA-N 1 0 340.423 3.249 20 10 EGCDRO CCN(C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1)CC(F)(F)F ZINC000180225619 455149815 /nfs/dbraw/zinc/14/98/15/455149815.db2.gz DOQQUBQKCIRMHT-GFCCVEGCSA-N 1 0 334.357 3.237 20 10 EGCDRO CC[N@H+](CCCn1ccnc1)Cc1cc(Br)ccc1O ZINC000182804015 455167740 /nfs/dbraw/zinc/16/77/40/455167740.db2.gz ZUNKHYHFKKGQHQ-UHFFFAOYSA-N 1 0 338.249 3.263 20 10 EGCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000189406419 455191440 /nfs/dbraw/zinc/19/14/40/455191440.db2.gz KOFAPPPSYVXMAU-HUUCEWRRSA-N 1 0 335.467 3.333 20 10 EGCDRO Oc1ccccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181125531 455291087 /nfs/dbraw/zinc/29/10/87/455291087.db2.gz WHBVBOPGAVJGQE-UHFFFAOYSA-N 1 0 325.334 3.445 20 10 EGCDRO CC(C)Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000182960205 455199621 /nfs/dbraw/zinc/19/96/21/455199621.db2.gz OHIBJWACHRMANV-IBGZPJMESA-N 1 0 343.471 3.426 20 10 EGCDRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000266130903 455423803 /nfs/dbraw/zinc/42/38/03/455423803.db2.gz CVLGGVQJYPKBIX-UHFFFAOYSA-N 1 0 332.831 3.080 20 10 EGCDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)N2CCOCC2)o1 ZINC000184909300 455470457 /nfs/dbraw/zinc/47/04/57/455470457.db2.gz BCYYTFGLAJCHQK-WMZOPIPTSA-N 1 0 344.455 3.326 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000185166917 455514903 /nfs/dbraw/zinc/51/49/03/455514903.db2.gz MWJMUHQDXVJNGC-HNNXBMFYSA-N 1 0 333.453 3.215 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000185291243 455534770 /nfs/dbraw/zinc/53/47/70/455534770.db2.gz AVVZPFIKISUCML-LLVKDONJSA-N 1 0 332.366 3.078 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000283823233 455599230 /nfs/dbraw/zinc/59/92/30/455599230.db2.gz DEOINPJATDNFPC-IBGZPJMESA-N 1 0 345.462 3.293 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c(O)c1 ZINC000186019392 455676977 /nfs/dbraw/zinc/67/69/77/455676977.db2.gz NUABLCHOETTYIA-QGZVFWFLSA-N 1 0 332.488 3.386 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000271541849 455678057 /nfs/dbraw/zinc/67/80/57/455678057.db2.gz YPMLCHXUTNWRBB-OXJNMPFZSA-N 1 0 337.467 3.204 20 10 EGCDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000271583572 455691220 /nfs/dbraw/zinc/69/12/20/455691220.db2.gz VPWPGLZDQCZNJC-DJJJIMSYSA-N 1 0 331.412 3.275 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccnc2OCCOC)cc1 ZINC000268773108 455713239 /nfs/dbraw/zinc/71/32/39/455713239.db2.gz MPRQQFPJGIZKSY-MRXNPFEDSA-N 1 0 343.471 3.414 20 10 EGCDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000268824232 455715056 /nfs/dbraw/zinc/71/50/56/455715056.db2.gz IIGVLFWYTUYUHW-SFHVURJKSA-N 1 0 345.531 3.174 20 10 EGCDRO C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000268850058 455715238 /nfs/dbraw/zinc/71/52/38/455715238.db2.gz FQRHHZVPSYXOMU-KRWDZBQOSA-N 1 0 331.504 3.048 20 10 EGCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000268847741 455716257 /nfs/dbraw/zinc/71/62/57/455716257.db2.gz BRILQHUQGXIFNO-IEBWSBKVSA-N 1 0 331.504 3.048 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1OC ZINC000292745570 455746862 /nfs/dbraw/zinc/74/68/62/455746862.db2.gz HXDFFHBJYWUGDR-ZMZPIMSZSA-N 1 0 349.452 3.263 20 10 EGCDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000271754159 455747915 /nfs/dbraw/zinc/74/79/15/455747915.db2.gz WRWGLPFORUJDCX-CQSZACIVSA-N 1 0 345.439 3.481 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)c1c(F)cccc1F ZINC000271792752 455762215 /nfs/dbraw/zinc/76/22/15/455762215.db2.gz HEADBLUGWKLYPK-MAUKXSAKSA-N 1 0 337.366 3.281 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC=C(c3ccncc3)C2)cc1OC ZINC000285076612 455785630 /nfs/dbraw/zinc/78/56/30/455785630.db2.gz JMHDFOGHZDETDZ-UHFFFAOYSA-N 1 0 326.396 3.094 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c(O)c1 ZINC000293535556 455790112 /nfs/dbraw/zinc/79/01/12/455790112.db2.gz CESMYGBQWHKTNS-IBGZPJMESA-N 1 0 344.455 3.425 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cc(Cl)ccc1O ZINC000278564776 455840459 /nfs/dbraw/zinc/84/04/59/455840459.db2.gz WXCSFDUTUSYEIM-JSGCOSHPSA-N 1 0 334.851 3.099 20 10 EGCDRO CC[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000186862002 455844056 /nfs/dbraw/zinc/84/40/56/455844056.db2.gz SXEOBVQRZJJKRU-QGZVFWFLSA-N 1 0 326.506 3.008 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)N(C)C)c1 ZINC000295901201 455862266 /nfs/dbraw/zinc/86/22/66/455862266.db2.gz IQNNFBDXYKGCDC-MSOLQXFVSA-N 1 0 326.440 3.281 20 10 EGCDRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296036802 455867529 /nfs/dbraw/zinc/86/75/29/455867529.db2.gz QKOOBIMVCOUSMX-AWEZNQCLSA-N 1 0 329.396 3.195 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](CC3CCC3)[C@H](C)CO)cc2)CC1 ZINC000296061879 455868689 /nfs/dbraw/zinc/86/86/89/455868689.db2.gz RHPLICKETTXOFK-QGZVFWFLSA-N 1 0 346.515 3.285 20 10 EGCDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000296062913 455868811 /nfs/dbraw/zinc/86/88/11/455868811.db2.gz VYSXEIKDTTYUDY-SFHVURJKSA-N 1 0 345.531 3.174 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)CC2 ZINC000296129502 455869628 /nfs/dbraw/zinc/86/96/28/455869628.db2.gz VSLINMREBVXAFJ-OALUTQOASA-N 1 0 338.451 3.043 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)c1 ZINC000279669151 455870073 /nfs/dbraw/zinc/87/00/73/455870073.db2.gz HMQLFPQKESFQEO-UHFFFAOYSA-N 1 0 341.451 3.279 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)Cn1ccnc1 ZINC000279898257 455876853 /nfs/dbraw/zinc/87/68/53/455876853.db2.gz LAYGMLBYBNUVHE-CYBMUJFWSA-N 1 0 340.393 3.394 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000279925935 455878238 /nfs/dbraw/zinc/87/82/38/455878238.db2.gz AJXSRQNTTBSQQX-NZSAHSFTSA-N 1 0 329.440 3.226 20 10 EGCDRO CC[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(C)cc1O ZINC000279945218 455878286 /nfs/dbraw/zinc/87/82/86/455878286.db2.gz BKEKFAXITDQPCX-SFHVURJKSA-N 1 0 347.480 3.356 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@]3(C)CCCO)cc2)CC1 ZINC000296200935 455878738 /nfs/dbraw/zinc/87/87/38/455878738.db2.gz FIJKYNBODNTYDS-NRFANRHFSA-N 1 0 346.515 3.429 20 10 EGCDRO C[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296335466 455911959 /nfs/dbraw/zinc/91/19/59/455911959.db2.gz HNVLAWPPBVGCLD-HZPDHXFCSA-N 1 0 331.504 3.427 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1-n1ccnn1 ZINC000286017686 455962342 /nfs/dbraw/zinc/96/23/42/455962342.db2.gz JNOSIDIPUQTIIL-CQSZACIVSA-N 1 0 339.418 3.323 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc(Br)ccc1O ZINC000296595319 455984179 /nfs/dbraw/zinc/98/41/79/455984179.db2.gz VGXSAAUBBPSBJL-SCDSUCTJSA-N 1 0 328.250 3.356 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000270682994 456013433 /nfs/dbraw/zinc/01/34/33/456013433.db2.gz TXZKHRGFLHYSLC-VQIMIIECSA-N 1 0 346.377 3.040 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1(N3CCCCC3)CCOCC1)CC2 ZINC000296706067 456015728 /nfs/dbraw/zinc/01/57/28/456015728.db2.gz HXMGPOGAPHKEKH-KRWDZBQOSA-N 1 0 330.472 3.004 20 10 EGCDRO C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccccc1O ZINC000272821428 456080458 /nfs/dbraw/zinc/08/04/58/456080458.db2.gz FWDUPXCAUGYXHI-OAHLLOKOSA-N 1 0 340.471 3.491 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3cscn3)cc2F)CC1 ZINC000271114328 456130392 /nfs/dbraw/zinc/13/03/92/456130392.db2.gz IAZNMWRMIXOAHJ-AWEZNQCLSA-N 1 0 348.491 3.275 20 10 EGCDRO COCCOCc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000289652454 456135129 /nfs/dbraw/zinc/13/51/29/456135129.db2.gz HQKRLZFUWVFDEK-UHFFFAOYSA-N 1 0 328.456 3.205 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000289839563 456151080 /nfs/dbraw/zinc/15/10/80/456151080.db2.gz NCLPYGNSPZFOCK-FXAWDEMLSA-N 1 0 327.424 3.047 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)NC(C)(C)C ZINC000263722530 456202381 /nfs/dbraw/zinc/20/23/81/456202381.db2.gz WOVOHLUMOPKKSY-AWEZNQCLSA-N 1 0 326.440 3.452 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273296442 456222277 /nfs/dbraw/zinc/22/22/77/456222277.db2.gz ACTCUCWPYUCECP-AWEZNQCLSA-N 1 0 333.453 3.096 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273349387 456223570 /nfs/dbraw/zinc/22/35/70/456223570.db2.gz BHVHBYJQSNKXLG-OAHLLOKOSA-N 1 0 330.428 3.381 20 10 EGCDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000189094076 456224685 /nfs/dbraw/zinc/22/46/85/456224685.db2.gz VFOBBBSELDHJLQ-VQIMIIECSA-N 1 0 338.451 3.461 20 10 EGCDRO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)c(C)n1-c1ccccc1C ZINC000237102118 456233300 /nfs/dbraw/zinc/23/33/00/456233300.db2.gz HHGUAIFWRNZXIY-UHFFFAOYSA-N 1 0 325.456 3.227 20 10 EGCDRO C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1cc(F)ccc1O ZINC000273514685 456236302 /nfs/dbraw/zinc/23/63/02/456236302.db2.gz SFLWKUQUQLKPMN-CJNGLKHVSA-N 1 0 344.434 3.240 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273604893 456240578 /nfs/dbraw/zinc/24/05/78/456240578.db2.gz SZVODBRNXBNTJM-ZDUSSCGKSA-N 1 0 340.423 3.144 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cc(OC)c1O ZINC000263894104 456258412 /nfs/dbraw/zinc/25/84/12/456258412.db2.gz PRBINABKLKUBJU-UHFFFAOYSA-N 1 0 342.439 3.082 20 10 EGCDRO COC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000297653746 456270760 /nfs/dbraw/zinc/27/07/60/456270760.db2.gz YRQHHNGGVMWXPG-GOSISDBHSA-N 1 0 332.488 3.160 20 10 EGCDRO CN(C)c1ccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000275554957 456277235 /nfs/dbraw/zinc/27/72/35/456277235.db2.gz AKGHUFVULSRZEY-UHFFFAOYSA-N 1 0 340.471 3.178 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000297869628 456313211 /nfs/dbraw/zinc/31/32/11/456313211.db2.gz UOGVCHSNNGZBRR-PBHICJAKSA-N 1 0 337.341 3.419 20 10 EGCDRO OC[C@]1([NH2+]Cc2cc(Br)ccc2O)CCc2ccccc21 ZINC000305187990 456535360 /nfs/dbraw/zinc/53/53/60/456535360.db2.gz UMQJRZLHHYDKCQ-QGZVFWFLSA-N 1 0 348.240 3.078 20 10 EGCDRO CC[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccccc1O ZINC000282732005 456606048 /nfs/dbraw/zinc/60/60/48/456606048.db2.gz MQLKAGDHGBOBQU-SFHVURJKSA-N 1 0 347.480 3.090 20 10 EGCDRO CCCC[N@H+](Cc1ccnn1CCCOC)Cc1ccccc1O ZINC000283177617 456728512 /nfs/dbraw/zinc/72/85/12/456728512.db2.gz ZMAJDVZJXHQTLH-UHFFFAOYSA-N 1 0 331.460 3.428 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000349456413 456972057 /nfs/dbraw/zinc/97/20/57/456972057.db2.gz BNANPWQQGZOQLG-HZPDHXFCSA-N 1 0 342.487 3.159 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000350064385 457159461 /nfs/dbraw/zinc/15/94/61/457159461.db2.gz AFBZKLURFFSFLW-UHFFFAOYSA-N 1 0 342.487 3.018 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccccc1O ZINC000359990596 457190146 /nfs/dbraw/zinc/19/01/46/457190146.db2.gz BXWMEIMJRBIPQQ-QNDJGXFYSA-N 1 0 336.435 3.200 20 10 EGCDRO COC(=O)c1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)oc1C ZINC000355135896 457344445 /nfs/dbraw/zinc/34/44/45/457344445.db2.gz OXZZJHXIYIWVHD-UHFFFAOYSA-N 1 0 326.396 3.465 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc2ccccc2c1O ZINC000363868542 457457684 /nfs/dbraw/zinc/45/76/84/457457684.db2.gz NVDIFPZFXPRYAK-ZBFHGGJFSA-N 1 0 336.439 3.208 20 10 EGCDRO COC[C@@H]1CCCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000375096852 457789252 /nfs/dbraw/zinc/78/92/52/457789252.db2.gz MOPYWPHYRSIREF-GFCCVEGCSA-N 1 0 328.250 3.403 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3COc4ccccc43)CC2)cc1 ZINC000367294242 457943492 /nfs/dbraw/zinc/94/34/92/457943492.db2.gz IXJLNYIADJOBPZ-INIZCTEOSA-N 1 0 338.451 3.430 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000367726614 457976309 /nfs/dbraw/zinc/97/63/09/457976309.db2.gz SXOPQGQKPGIDKU-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1O ZINC000372700432 458322765 /nfs/dbraw/zinc/32/27/65/458322765.db2.gz IZSVWSORZOUFCE-UHFFFAOYSA-N 1 0 333.819 3.351 20 10 EGCDRO CCC[NH+](CCC)CCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437020208 458422769 /nfs/dbraw/zinc/42/27/69/458422769.db2.gz PHHFXXOQJHYQLG-UHFFFAOYSA-N 1 0 347.503 3.380 20 10 EGCDRO CCC[N@H+](CC)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471978129 458759566 /nfs/dbraw/zinc/75/95/66/458759566.db2.gz KJWSLCZOSQNNBR-UHFFFAOYSA-N 1 0 330.476 3.018 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000527842037 459756297 /nfs/dbraw/zinc/75/62/97/459756297.db2.gz UBSUNBBDJWYILO-LJQANCHMSA-N 1 0 328.412 3.435 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000378392601 547819408 /nfs/dbraw/zinc/81/94/08/547819408.db2.gz ZEYYNEJLJHDSTH-XLIONFOSSA-N 1 0 332.488 3.457 20 10 EGCDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000726607702 574563639 /nfs/dbraw/zinc/56/36/39/574563639.db2.gz UNTSGARQRPAJRF-GOSISDBHSA-N 1 0 340.423 3.380 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000729043289 574808278 /nfs/dbraw/zinc/80/82/78/574808278.db2.gz CLLWNVSSVRCIEA-CQSZACIVSA-N 1 0 349.475 3.026 20 10 EGCDRO CC[N@H+](C)[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000729535231 574869132 /nfs/dbraw/zinc/86/91/32/574869132.db2.gz NMJQNAUISQQYLL-LIRRHRJNSA-N 1 0 342.439 3.271 20 10 EGCDRO COC1CCN(C2(C[NH2+]Cc3ccc4c(c3)CCO4)CCCC2)CC1 ZINC000730817450 575024176 /nfs/dbraw/zinc/02/41/76/575024176.db2.gz NKOLKXAZWUBKFQ-UHFFFAOYSA-N 1 0 344.499 3.135 20 10 EGCDRO CCOc1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c(O)c1 ZINC000731041572 575046053 /nfs/dbraw/zinc/04/60/53/575046053.db2.gz HLORJCCLVTVJBD-UHFFFAOYSA-N 1 0 328.412 3.298 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000733921811 575415189 /nfs/dbraw/zinc/41/51/89/575415189.db2.gz GLISKZIBXWRMMP-QGZVFWFLSA-N 1 0 331.504 3.414 20 10 EGCDRO CC(C)[C@H](C(=O)NCCCSc1nccs1)[NH+]1CCCCC1 ZINC000733974662 575417068 /nfs/dbraw/zinc/41/70/68/575417068.db2.gz HZBPVPCAPQHCRO-CQSZACIVSA-N 1 0 341.546 3.252 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)c1 ZINC000734003531 575421403 /nfs/dbraw/zinc/42/14/03/575421403.db2.gz NFZOECUSYMKABK-LBPRGKRZSA-N 1 0 329.396 3.023 20 10 EGCDRO C[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)CC1CC[NH+](C)CC1 ZINC000737508413 576239839 /nfs/dbraw/zinc/23/98/39/576239839.db2.gz JWDMXRJSIBTDCS-UHFFFAOYSA-N 1 0 342.439 3.017 20 10 EGCDRO COC[C@@H](CCO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000740011127 576531572 /nfs/dbraw/zinc/53/15/72/576531572.db2.gz JIMJNHPSRZLIHP-MRXNPFEDSA-N 1 0 337.504 3.474 20 10 EGCDRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000742219671 576759312 /nfs/dbraw/zinc/75/93/12/576759312.db2.gz LJNQNZKIPUTZOZ-SJLPKXTDSA-N 1 0 330.472 3.130 20 10 EGCDRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000742218780 576759317 /nfs/dbraw/zinc/75/93/17/576759317.db2.gz IDDOYPQJOMPGIQ-QZTJIDSGSA-N 1 0 332.488 3.376 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000742371922 576774895 /nfs/dbraw/zinc/77/48/95/576774895.db2.gz CEHAFGDWUVCIMM-AWEZNQCLSA-N 1 0 343.431 3.169 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)c(C)n1-c1ccccc1 ZINC000743675077 576814315 /nfs/dbraw/zinc/81/43/15/576814315.db2.gz RJDINEBCJOGMGE-UHFFFAOYSA-N 1 0 333.435 3.483 20 10 EGCDRO C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+]1CCCCCC1 ZINC000743718134 576815244 /nfs/dbraw/zinc/81/52/44/576815244.db2.gz ZZVSUCJGURXOGE-OAHLLOKOSA-N 1 0 330.472 3.152 20 10 EGCDRO C[C@H]1CCN(C(=O)C2=CC(=O)CS2)CCN1Cc1ccccc1 ZINC000743810121 576816147 /nfs/dbraw/zinc/81/61/47/576816147.db2.gz ADYGUHVOWSRKAN-AWEZNQCLSA-N 1 0 330.453 3.190 20 10 EGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000744438450 576828437 /nfs/dbraw/zinc/82/84/37/576828437.db2.gz IJUIBIVQTRDKJI-MRXNPFEDSA-N 1 0 334.460 3.450 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000841029426 1321203766 /nfs/dbraw/zinc/20/37/66/1321203766.db2.gz GYPXBYVJKAICSE-SMDDNHRTSA-N 1 0 327.266 3.070 20 10 EGCDRO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007255789 1291067265 /nfs/dbraw/zinc/06/72/65/1291067265.db2.gz ZZTYCXVJLOHRDD-NRFANRHFSA-N 1 0 339.483 3.356 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000066699521 1292127479 /nfs/dbraw/zinc/12/74/79/1292127479.db2.gz SBIDZICPMSIWOU-UHFFFAOYSA-N 1 0 333.476 3.046 20 10 EGCDRO CCC[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccccc1O ZINC000069009899 1292227082 /nfs/dbraw/zinc/22/70/82/1292227082.db2.gz IUUFJQDRBHIHLS-UHFFFAOYSA-N 1 0 333.819 3.291 20 10 EGCDRO CC(C)[NH+](CCCNC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000072731781 1292288654 /nfs/dbraw/zinc/28/86/54/1292288654.db2.gz XYDVDFYYJPEACD-UHFFFAOYSA-N 1 0 334.508 3.061 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000076074424 1292418893 /nfs/dbraw/zinc/41/88/93/1292418893.db2.gz OGYGCMDDEFMWHA-HNNXBMFYSA-N 1 0 344.430 3.448 20 10 EGCDRO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000076275409 1292424192 /nfs/dbraw/zinc/42/41/92/1292424192.db2.gz ROCLVPSXIAVTDK-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000828373670 1292459330 /nfs/dbraw/zinc/45/93/30/1292459330.db2.gz YGFURPZBANSDMX-HXUWFJFHSA-N 1 0 348.487 3.123 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000078796379 1292526773 /nfs/dbraw/zinc/52/67/73/1292526773.db2.gz BNOGSPPZGZPQCC-UHFFFAOYSA-N 1 0 346.519 3.160 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)C[C@@H]3[C@H](C)O)cc2)CC1 ZINC000829121745 1292543680 /nfs/dbraw/zinc/54/36/80/1292543680.db2.gz WAFSRTDHOUFULO-XGHQBKJUSA-N 1 0 346.515 3.283 20 10 EGCDRO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1N1CCCCC1 ZINC000829146104 1292547327 /nfs/dbraw/zinc/54/73/27/1292547327.db2.gz IJEBUHBUSCTYIX-NLWGTHIKSA-N 1 0 341.499 3.071 20 10 EGCDRO CC[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000089546028 1292771678 /nfs/dbraw/zinc/77/16/78/1292771678.db2.gz QQMLCPANUJOVHK-IBGZPJMESA-N 1 0 325.456 3.135 20 10 EGCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)COCc1ccccc1 ZINC000092472290 1292871622 /nfs/dbraw/zinc/87/16/22/1292871622.db2.gz HIWKECBXUHDILS-QGZVFWFLSA-N 1 0 335.831 3.055 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC000831656140 1292903338 /nfs/dbraw/zinc/90/33/38/1292903338.db2.gz WQZBXBMZGYZPCH-IRXDYDNUSA-N 1 0 325.424 3.113 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)CCS1 ZINC000093502042 1292923356 /nfs/dbraw/zinc/92/33/56/1292923356.db2.gz FTYOROYNBIWJNE-GFCCVEGCSA-N 1 0 346.290 3.491 20 10 EGCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000093511349 1292924129 /nfs/dbraw/zinc/92/41/29/1292924129.db2.gz CLGFJPNKECXRCG-QGZVFWFLSA-N 1 0 340.423 3.222 20 10 EGCDRO Cc1c(Cl)cccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278882 1292980781 /nfs/dbraw/zinc/98/07/81/1292980781.db2.gz FNAILVIYQFZLEN-KRWDZBQOSA-N 1 0 331.847 3.144 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2csc3c2CCCC3)cc1 ZINC000832284012 1292981941 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Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)c(C)n1-c1ccccc1C ZINC000834829473 1293154889 /nfs/dbraw/zinc/15/48/89/1293154889.db2.gz CHIYVKZLNULVQP-HNNXBMFYSA-N 1 0 335.398 3.115 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c(O)c1C ZINC000834883936 1293163251 /nfs/dbraw/zinc/16/32/51/1293163251.db2.gz SGYPMNBJKOGHOT-AWEZNQCLSA-N 1 0 333.453 3.263 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c(O)c1C ZINC000834896623 1293167365 /nfs/dbraw/zinc/16/73/65/1293167365.db2.gz MABWCEAVTMGLEA-SJORKVTESA-N 1 0 340.467 3.407 20 10 EGCDRO CNC(=O)C[C@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000834898646 1293169718 /nfs/dbraw/zinc/16/97/18/1293169718.db2.gz APUBVGYCFAIKAL-MAUKXSAKSA-N 1 0 326.440 3.180 20 10 EGCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@H]1n1cccn1 ZINC000834902305 1293170318 /nfs/dbraw/zinc/17/03/18/1293170318.db2.gz GPUTZZRJUNSCRR-LORHWOILSA-N 1 0 341.455 3.363 20 10 EGCDRO Fc1cc(C[NH2+]CCC2CC(F)(F)C2)ccc1N1CCOCC1 ZINC000835062260 1293196526 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COCCN(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000159373145 1294234645 /nfs/dbraw/zinc/23/46/45/1294234645.db2.gz SPOKQFQCDGGKIU-SFHVURJKSA-N 1 0 333.520 3.296 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2COc2ccccc2)cc1OC ZINC000160193093 1294262095 /nfs/dbraw/zinc/26/20/95/1294262095.db2.gz JJZDNCWIYIEINF-INIZCTEOSA-N 1 0 343.423 3.453 20 10 EGCDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(N)cc3)cc2)CC1 ZINC000160455356 1294268905 /nfs/dbraw/zinc/26/89/05/1294268905.db2.gz ZELJSHMVDQNWJD-UHFFFAOYSA-N 1 0 338.455 3.052 20 10 EGCDRO CCOC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163405253 1294333151 /nfs/dbraw/zinc/33/31/51/1294333151.db2.gz DZPJKGRBLOJLAZ-CYBMUJFWSA-N 1 0 346.393 3.057 20 10 EGCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164231159 1294345499 /nfs/dbraw/zinc/34/54/99/1294345499.db2.gz SIIRQBAOSTXJQT-HOTGVXAUSA-N 1 0 348.487 3.226 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c1O ZINC000164498123 1294348994 /nfs/dbraw/zinc/34/89/94/1294348994.db2.gz ICIIZIZSUFNSMN-HXUWFJFHSA-N 1 0 327.424 3.457 20 10 EGCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000173390837 1294460619 /nfs/dbraw/zinc/46/06/19/1294460619.db2.gz HOHCCDHRKYNGNH-INIZCTEOSA-N 1 0 335.488 3.483 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC000177124493 1294655522 /nfs/dbraw/zinc/65/55/22/1294655522.db2.gz UONHSOIYNBVJGP-MRXNPFEDSA-N 1 0 336.863 3.308 20 10 EGCDRO Cc1cc(CN2CC[NH+](C3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000177172771 1294657515 /nfs/dbraw/zinc/65/75/15/1294657515.db2.gz MXAUKXNGSCKGPW-UHFFFAOYSA-N 1 0 346.515 3.295 20 10 EGCDRO Cc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(O)c1O ZINC000177674890 1294686815 /nfs/dbraw/zinc/68/68/15/1294686815.db2.gz JSEOUYIHFNGRFE-UHFFFAOYSA-N 1 0 346.471 3.134 20 10 EGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000178204464 1294722059 /nfs/dbraw/zinc/72/20/59/1294722059.db2.gz LZVKRFRZWZNIDW-CQSZACIVSA-N 1 0 330.501 3.133 20 10 EGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000178853387 1294758292 /nfs/dbraw/zinc/75/82/92/1294758292.db2.gz KXPXQAYPLUDPJW-UHFFFAOYSA-N 1 0 329.396 3.128 20 10 EGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000178902755 1294762126 /nfs/dbraw/zinc/76/21/26/1294762126.db2.gz KQRRJHIJSBSSMH-AWEZNQCLSA-N 1 0 335.444 3.226 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC2)cc1 ZINC000180702733 1294908589 /nfs/dbraw/zinc/90/85/89/1294908589.db2.gz ODVKOLBBONGPSO-OAHLLOKOSA-N 1 0 348.487 3.374 20 10 EGCDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000180772399 1294914308 /nfs/dbraw/zinc/91/43/08/1294914308.db2.gz WCABERYDXIDEBS-UHFFFAOYSA-N 1 0 348.487 3.261 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 ZINC000182371778 1295041201 /nfs/dbraw/zinc/04/12/01/1295041201.db2.gz RVCLRWQKXHOTEK-GRDNDAEWSA-N 1 0 334.460 3.089 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@@H](C)N1CCOCC1 ZINC000185376008 1295260447 /nfs/dbraw/zinc/26/04/47/1295260447.db2.gz BAPLZOZNPVKDBX-OWCLPIDISA-N 1 0 328.456 3.305 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)c1 ZINC000186015583 1295298250 /nfs/dbraw/zinc/29/82/50/1295298250.db2.gz SWNTXFDEYSZWIF-AWEZNQCLSA-N 1 0 330.403 3.310 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1O ZINC000186201040 1295311861 /nfs/dbraw/zinc/31/18/61/1295311861.db2.gz BTEQMSLWLILCDR-ABAIWWIYSA-N 1 0 338.423 3.485 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1 ZINC000186425917 1295326568 /nfs/dbraw/zinc/32/65/68/1295326568.db2.gz XRTHQMOOYVBMSR-UHFFFAOYSA-N 1 0 325.412 3.312 20 10 EGCDRO CCOc1cccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1O ZINC000189471027 1295524103 /nfs/dbraw/zinc/52/41/03/1295524103.db2.gz OMXKOMKXMRGACT-UHFFFAOYSA-N 1 0 346.393 3.155 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC000237821814 1296267037 /nfs/dbraw/zinc/26/70/37/1296267037.db2.gz VHGUXQVOCPZBCK-QGZVFWFLSA-N 1 0 325.456 3.132 20 10 EGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCCC[C@H]1O ZINC000245810691 1296325501 /nfs/dbraw/zinc/32/55/01/1296325501.db2.gz CILZWRQERVXKCP-UKRRQHHQSA-N 1 0 328.250 3.280 20 10 EGCDRO C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249514209 1296445658 /nfs/dbraw/zinc/44/56/58/1296445658.db2.gz AHSKVTVBVVSKGO-IAGOWNOFSA-N 1 0 346.519 3.014 20 10 EGCDRO C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249876639 1296454062 /nfs/dbraw/zinc/45/40/62/1296454062.db2.gz MBTOHEGECXOGJX-BRWVUGGUSA-N 1 0 329.488 3.164 20 10 EGCDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000255953698 1296581729 /nfs/dbraw/zinc/58/17/29/1296581729.db2.gz DDUAAAKMURSWIO-JTDSTZFVSA-N 1 0 331.504 3.125 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000261962174 1296613150 /nfs/dbraw/zinc/61/31/50/1296613150.db2.gz KZNIALBGJDLUNO-LJQANCHMSA-N 1 0 329.419 3.044 20 10 EGCDRO CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Br)ccc1O ZINC000311507902 1297108400 /nfs/dbraw/zinc/10/84/00/1297108400.db2.gz GQIAVBDUPDCBLJ-ZFWWWQNUSA-N 1 0 328.250 3.356 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000324913243 1297218170 /nfs/dbraw/zinc/21/81/70/1297218170.db2.gz XUGBLGMKBLRTKX-SFHVURJKSA-N 1 0 326.444 3.473 20 10 EGCDRO C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000325461816 1297226396 /nfs/dbraw/zinc/22/63/96/1297226396.db2.gz STSHARCPQZQGMH-BEFAXECRSA-N 1 0 325.456 3.047 20 10 EGCDRO Cc1cc(C[NH2+]Cc2cccc(C(N)=O)c2)c(C)n1-c1ccccc1 ZINC000326662403 1297240261 /nfs/dbraw/zinc/24/02/61/1297240261.db2.gz FSXPPMFTUSAXGO-UHFFFAOYSA-N 1 0 333.435 3.483 20 10 EGCDRO Cc1c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000327526943 1297250388 /nfs/dbraw/zinc/25/03/88/1297250388.db2.gz NDPBBWXSJVDVAM-UHFFFAOYSA-N 1 0 341.411 3.030 20 10 EGCDRO OCCC1([NH2+]Cc2c(O)cccc2Br)CCCCC1 ZINC000687285463 1298119755 /nfs/dbraw/zinc/11/97/55/1298119755.db2.gz LGRKUMRNDZBVFB-UHFFFAOYSA-N 1 0 328.250 3.330 20 10 EGCDRO COc1cccc(C[NH2+]C[C@](C)(COCc2ccccc2)OC)c1O ZINC000702795538 1298197822 /nfs/dbraw/zinc/19/78/22/1298197822.db2.gz LBOPDEXKPOMLBZ-HXUWFJFHSA-N 1 0 345.439 3.112 20 10 EGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000708494292 1298240362 /nfs/dbraw/zinc/24/03/62/1298240362.db2.gz FAIWEIOHQGTXMX-OAHLLOKOSA-N 1 0 332.394 3.282 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000713534764 1298271427 /nfs/dbraw/zinc/27/14/27/1298271427.db2.gz BFVAIXSYXQFUHB-BPLDGKMQSA-N 1 0 338.245 3.202 20 10 EGCDRO CC(C)[NH+]1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715826799 1298289727 /nfs/dbraw/zinc/28/97/27/1298289727.db2.gz JJCRFHZIOPCEJQ-UHFFFAOYSA-N 1 0 345.256 3.256 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1O)CC1(C)OCCO1 ZINC000716015710 1298292686 /nfs/dbraw/zinc/29/26/86/1298292686.db2.gz UIZWQTGJYYZXTA-LLVKDONJSA-N 1 0 344.249 3.034 20 10 EGCDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000718080327 1298307777 /nfs/dbraw/zinc/30/77/77/1298307777.db2.gz LYWOZNGXCFTUDY-LJQANCHMSA-N 1 0 338.455 3.301 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000725846424 1298373521 /nfs/dbraw/zinc/37/35/21/1298373521.db2.gz IIUSRFDPQPOWTH-GOSISDBHSA-N 1 0 342.439 3.100 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCN(C(C)C)C2=O)cc1 ZINC000748809737 1299085189 /nfs/dbraw/zinc/08/51/89/1299085189.db2.gz JCBJVUGIAMNPEG-IBGZPJMESA-N 1 0 331.504 3.364 20 10 EGCDRO CN(C(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1ccc(N)cc1 ZINC000877077284 1299147379 /nfs/dbraw/zinc/14/73/79/1299147379.db2.gz BMIYHGUEXBHUNU-GOSISDBHSA-N 1 0 327.403 3.035 20 10 EGCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000749258549 1299179976 /nfs/dbraw/zinc/17/99/76/1299179976.db2.gz VVVFHFNTEDVMLJ-IBGZPJMESA-N 1 0 342.483 3.294 20 10 EGCDRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877145008 1299180766 /nfs/dbraw/zinc/18/07/66/1299180766.db2.gz BOPFNZFKADLYGL-UHFFFAOYSA-N 1 0 326.440 3.472 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000749556064 1299236085 /nfs/dbraw/zinc/23/60/85/1299236085.db2.gz VLVWWMPJIAOYBD-IEBWSBKVSA-N 1 0 346.519 3.205 20 10 EGCDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877574387 1299409340 /nfs/dbraw/zinc/40/93/40/1299409340.db2.gz HVZODKFZYBFQQH-ZBFHGGJFSA-N 1 0 334.460 3.484 20 10 EGCDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877611661 1299431270 /nfs/dbraw/zinc/43/12/70/1299431270.db2.gz XDKJPMDWCWDFIO-RTBURBONSA-N 1 0 334.529 3.412 20 10 EGCDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000877694986 1299488232 /nfs/dbraw/zinc/48/82/32/1299488232.db2.gz WDUUJGZAXUOGAU-UHFFFAOYSA-N 1 0 342.414 3.234 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000877730821 1299509015 /nfs/dbraw/zinc/50/90/15/1299509015.db2.gz GKOAQAXXZRMAFJ-WOVMCDHWSA-N 1 0 347.503 3.454 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CCCOc1ccccc1C(N)=O)c1ccccc1O ZINC000877755617 1299531248 /nfs/dbraw/zinc/53/12/48/1299531248.db2.gz IGZKLJWFWYEKTM-LSDHHAIUSA-N 1 0 342.439 3.389 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@](F)(C(=O)OC)C2)c(O)c(C(C)(C)C)c1 ZINC000751940522 1299658508 /nfs/dbraw/zinc/65/85/08/1299658508.db2.gz VEAJCQMQBAYDFT-LJQANCHMSA-N 1 0 337.435 3.339 20 10 EGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1(C)C ZINC000753374759 1299924467 /nfs/dbraw/zinc/92/44/67/1299924467.db2.gz UIFMKPZEWGRJLP-ZWKOTPCHSA-N 1 0 347.459 3.488 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)cc1F ZINC000753818883 1300025074 /nfs/dbraw/zinc/02/50/74/1300025074.db2.gz WXFOJEPGZSPNGT-AWEZNQCLSA-N 1 0 337.483 3.455 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)c2c1c(F)ccc2O ZINC000756402660 1300484830 /nfs/dbraw/zinc/48/48/30/1300484830.db2.gz NOFMYBUXIGPQCK-SWLSCSKDSA-N 1 0 329.419 3.445 20 10 EGCDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(Br)cc1O ZINC000756432906 1300490431 /nfs/dbraw/zinc/49/04/31/1300490431.db2.gz LPUXONORCFQFQP-IINYFYTJSA-N 1 0 327.266 3.146 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)c(O)c1C ZINC000756457764 1300496008 /nfs/dbraw/zinc/49/60/08/1300496008.db2.gz LBNQVYCIHWFWPH-GDBMZVCRSA-N 1 0 333.403 3.239 20 10 EGCDRO C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(Br)cc1O ZINC000756457982 1300496448 /nfs/dbraw/zinc/49/64/48/1300496448.db2.gz INPMVENCYZJHQW-LBPRGKRZSA-N 1 0 338.249 3.482 20 10 EGCDRO C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756505996 1300509817 /nfs/dbraw/zinc/50/98/17/1300509817.db2.gz ZJQGSLZVJWNXMR-ZJUUUORDSA-N 1 0 333.245 3.285 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000756462005 1300497155 /nfs/dbraw/zinc/49/71/55/1300497155.db2.gz WJXIDGAHRWVNKC-ZDUSSCGKSA-N 1 0 332.831 3.435 20 10 EGCDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756458932 1300497811 /nfs/dbraw/zinc/49/78/11/1300497811.db2.gz LOCODJKLTLMXSY-HOCLYGCPSA-N 1 0 333.403 3.239 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)c2c1c(F)ccc2O ZINC000756501698 1300508319 /nfs/dbraw/zinc/50/83/19/1300508319.db2.gz FZJRWWAMVBLAII-GWCFXTLKSA-N 1 0 328.378 3.399 20 10 EGCDRO COCCCN1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756527981 1300515154 /nfs/dbraw/zinc/51/51/54/1300515154.db2.gz LMLXRSHVTUFOGO-XJKSGUPXSA-N 1 0 336.451 3.170 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2c1c(F)ccc2O ZINC000756587775 1300526568 /nfs/dbraw/zinc/52/65/68/1300526568.db2.gz CKYXNOISUVUKNU-BLLLJJGKSA-N 1 0 338.386 3.450 20 10 EGCDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Br)ccc1O ZINC000756633328 1300537771 /nfs/dbraw/zinc/53/77/71/1300537771.db2.gz HJQIKTWQNCYLLY-VLRKGOCCSA-N 1 0 328.250 3.499 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc2c(cc1O)CCCC2 ZINC000756661295 1300543614 /nfs/dbraw/zinc/54/36/14/1300543614.db2.gz QMSCMMDGBNFYHR-CABCVRRESA-N 1 0 329.440 3.366 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000756765664 1300562610 /nfs/dbraw/zinc/56/26/10/1300562610.db2.gz QJDUONTWJJMRMC-OCCSQVGLSA-N 1 0 325.836 3.424 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCCc2ccccc2)c2c1c(F)ccc2O ZINC000756818548 1300570205 /nfs/dbraw/zinc/57/02/05/1300570205.db2.gz PPCHBXVRNWSEQI-CZUORRHYSA-N 1 0 342.414 3.028 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N[C@H]1CCOc2ccccc21 ZINC000879649146 1300649623 /nfs/dbraw/zinc/64/96/23/1300649623.db2.gz MTZXFFYKMFRJNJ-CPUCHLNUSA-N 1 0 340.423 3.071 20 10 EGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000759758210 1301156348 /nfs/dbraw/zinc/15/63/48/1301156348.db2.gz ZRGODVSLGIDSCG-FQEVSTJZSA-N 1 0 343.423 3.402 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccnn3)CC2)c2c1c(F)ccc2O ZINC000760048218 1301213524 /nfs/dbraw/zinc/21/35/24/1301213524.db2.gz RRTQIRYFJUTOTG-IUODEOHRSA-N 1 0 342.418 3.128 20 10 EGCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761208257 1301421876 /nfs/dbraw/zinc/42/18/76/1301421876.db2.gz WMZDVWHROPCWEB-UHFFFAOYSA-N 1 0 329.824 3.266 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)c1 ZINC000763881376 1301974547 /nfs/dbraw/zinc/97/45/47/1301974547.db2.gz CVLZHOHFRJHDBM-XJKSGUPXSA-N 1 0 334.460 3.089 20 10 EGCDRO C[C@@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000764948865 1302173471 /nfs/dbraw/zinc/17/34/71/1302173471.db2.gz JEXPEPQUMLCBQH-CEXWTWQISA-N 1 0 345.531 3.152 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)C ZINC000765128987 1302208126 /nfs/dbraw/zinc/20/81/26/1302208126.db2.gz ZBRWGTBAIYVZGR-DAYGRLMNSA-N 1 0 338.467 3.200 20 10 EGCDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000765861881 1302341906 /nfs/dbraw/zinc/34/19/06/1302341906.db2.gz TWBIAAKWZPGVAS-INIZCTEOSA-N 1 0 333.520 3.293 20 10 EGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765994653 1302364578 /nfs/dbraw/zinc/36/45/78/1302364578.db2.gz QLXLEOJTGQWLRD-XJKCOSOUSA-N 1 0 326.868 3.023 20 10 EGCDRO C[C@@H]([NH2+]CCNc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766517058 1302466929 /nfs/dbraw/zinc/46/69/29/1302466929.db2.gz ZVLFIKXONXDWMA-MRXNPFEDSA-N 1 0 343.446 3.425 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)c(O)c1 ZINC000768140377 1302833651 /nfs/dbraw/zinc/83/36/51/1302833651.db2.gz ZPMXLEFPCWLMGR-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)cc1C ZINC000768437715 1302901351 /nfs/dbraw/zinc/90/13/51/1302901351.db2.gz DVYNFDKZBLZBHV-UHFFFAOYSA-N 1 0 330.403 3.171 20 10 EGCDRO Oc1ccccc1N1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768442561 1302904928 /nfs/dbraw/zinc/90/49/28/1302904928.db2.gz SSRNSRFKKLTSOO-UHFFFAOYSA-N 1 0 338.451 3.299 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1)[C@@H](O)CO2 ZINC000768442597 1302905011 /nfs/dbraw/zinc/90/50/11/1302905011.db2.gz MGNMDXSPRNZKSL-WMZOPIPTSA-N 1 0 329.371 3.294 20 10 EGCDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768447906 1302908338 /nfs/dbraw/zinc/90/83/38/1302908338.db2.gz RKJWBHAYWHBBIG-TVZGQMOCSA-N 1 0 343.398 3.335 20 10 EGCDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768447918 1302908689 /nfs/dbraw/zinc/90/86/89/1302908689.db2.gz RQJCUDCELMPLRN-FPOVZHCZSA-N 1 0 339.435 3.372 20 10 EGCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769210848 1303071769 /nfs/dbraw/zinc/07/17/69/1303071769.db2.gz UIUJRBPBNMEUSP-NVXWUHKLSA-N 1 0 348.487 3.308 20 10 EGCDRO C[N@H+](Cc1c(O)cccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769334016 1303095781 /nfs/dbraw/zinc/09/57/81/1303095781.db2.gz MYROBXIEIFCRLI-LBPRGKRZSA-N 1 0 340.851 3.487 20 10 EGCDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C1=CC(=O)CS1 ZINC000769342104 1303096995 /nfs/dbraw/zinc/09/69/95/1303096995.db2.gz ZMTPSZYSVUPFJP-UHFFFAOYSA-N 1 0 338.395 3.190 20 10 EGCDRO CCc1ccc(N2CC[NH+](Cc3c(O)cccc3OC)CC2)cc1 ZINC000769498049 1303127280 /nfs/dbraw/zinc/12/72/80/1303127280.db2.gz KNEFTMQOVUWNBW-UHFFFAOYSA-N 1 0 326.440 3.285 20 10 EGCDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769936615 1303195730 /nfs/dbraw/zinc/19/57/30/1303195730.db2.gz HAZXENKNRSKACI-WOMSROEHSA-N 1 0 333.432 3.002 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(C)c3O)c2)CC1 ZINC000770146343 1303229142 /nfs/dbraw/zinc/22/91/42/1303229142.db2.gz HFJGJAXJYNDIAD-UHFFFAOYSA-N 1 0 339.439 3.095 20 10 EGCDRO COC(C)(C)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770317622 1303248217 /nfs/dbraw/zinc/24/82/17/1303248217.db2.gz INXACYZWAZLESV-UHFFFAOYSA-N 1 0 335.448 3.442 20 10 EGCDRO Fc1cccc(/C=C\C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000885938359 1303286855 /nfs/dbraw/zinc/28/68/55/1303286855.db2.gz YDRWAOXEFROABW-RQOWECAXSA-N 1 0 326.415 3.465 20 10 EGCDRO COc1cc(C[N@H+](C)CCc2cnccn2)c(O)c(C(C)(C)C)c1 ZINC000770662069 1303302128 /nfs/dbraw/zinc/30/21/28/1303302128.db2.gz OZJDVFYTRAYELA-UHFFFAOYSA-N 1 0 329.444 3.163 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c1O ZINC000770745936 1303313490 /nfs/dbraw/zinc/31/34/90/1303313490.db2.gz JYJVJDSRNBJNKS-GHMZBOCLSA-N 1 0 344.249 3.068 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC000771398586 1303399536 /nfs/dbraw/zinc/39/95/36/1303399536.db2.gz VCJWRJCUUOOIBE-CQSZACIVSA-N 1 0 340.414 3.416 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]CC3CCCCC3)cc2)CC1 ZINC000886325575 1303433587 /nfs/dbraw/zinc/43/35/87/1303433587.db2.gz KJUYFHXLJMKZJW-UHFFFAOYSA-N 1 0 329.488 3.058 20 10 EGCDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886325023 1303433943 /nfs/dbraw/zinc/43/39/43/1303433943.db2.gz QLVHYDAZWAQQAZ-QFBILLFUSA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@@H]1C ZINC000886325225 1303433991 /nfs/dbraw/zinc/43/39/91/1303433991.db2.gz YWHWOQOXZVSTPI-GJYPPUQNSA-N 1 0 343.515 3.303 20 10 EGCDRO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000771796062 1303444238 /nfs/dbraw/zinc/44/42/38/1303444238.db2.gz KJSCHLQVJXFZFK-UHFFFAOYSA-N 1 0 328.460 3.221 20 10 EGCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000771875484 1303453013 /nfs/dbraw/zinc/45/30/13/1303453013.db2.gz GWZCLPGCNRTFQN-VBKZILBWSA-N 1 0 327.424 3.496 20 10 EGCDRO COC(=O)N1CC([NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000773071119 1303617961 /nfs/dbraw/zinc/61/79/61/1303617961.db2.gz JMMCZCPDEBLZFI-OAHLLOKOSA-N 1 0 331.460 3.168 20 10 EGCDRO C[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773370327 1303669293 /nfs/dbraw/zinc/66/92/93/1303669293.db2.gz LZTRAZRYQQXUKT-HUUCEWRRSA-N 1 0 334.508 3.089 20 10 EGCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773387522 1303672589 /nfs/dbraw/zinc/67/25/89/1303672589.db2.gz KAWXPZHZIBIABC-IRXDYDNUSA-N 1 0 346.519 3.091 20 10 EGCDRO COc1c([O-])c(C[NH2+]CCOc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000774978683 1303884829 /nfs/dbraw/zinc/88/48/29/1303884829.db2.gz RNIAQRIAPULXNA-UHFFFAOYSA-N 1 0 346.383 3.094 20 10 EGCDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Cl)ccc3O)nc2c1 ZINC000775179846 1303920372 /nfs/dbraw/zinc/92/03/72/1303920372.db2.gz SLRVSFLXVHYYCH-UHFFFAOYSA-N 1 0 332.747 3.120 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1-n1cncn1 ZINC000775361707 1303946062 /nfs/dbraw/zinc/94/60/62/1303946062.db2.gz DXJIQNAFVUXWBY-MRXNPFEDSA-N 1 0 335.455 3.493 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)c2c[nH]c3ncccc23)c1 ZINC000775371156 1303948508 /nfs/dbraw/zinc/94/85/08/1303948508.db2.gz UYXQKYMXQKNLEY-NWDGAFQWSA-N 1 0 339.395 3.199 20 10 EGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000775418280 1303961754 /nfs/dbraw/zinc/96/17/54/1303961754.db2.gz PUWYKJABMVGOEN-IDHHARJASA-N 1 0 336.451 3.128 20 10 EGCDRO CC[C@@H]([NH2+]CCc1nnc2ccccn21)c1cc(Cl)ccc1O ZINC000775484300 1303971033 /nfs/dbraw/zinc/97/10/33/1303971033.db2.gz APWXXDPFMCXPTM-CQSZACIVSA-N 1 0 330.819 3.372 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000775526896 1303979804 /nfs/dbraw/zinc/97/98/04/1303979804.db2.gz NJTITSHBVJRTPV-GUTXKFCHSA-N 1 0 345.892 3.442 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000775655568 1304006993 /nfs/dbraw/zinc/00/69/93/1304006993.db2.gz GRXIFDTXJIGKRS-IBGZPJMESA-N 1 0 340.467 3.497 20 10 EGCDRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775832964 1304047171 /nfs/dbraw/zinc/04/71/71/1304047171.db2.gz DEXQGLMSRGUDDW-QFBILLFUSA-N 1 0 328.456 3.152 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000776863281 1304213185 /nfs/dbraw/zinc/21/31/85/1304213185.db2.gz AKSMJDHTRYPPKC-RDBSUJKOSA-N 1 0 338.423 3.439 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000779003849 1304517107 /nfs/dbraw/zinc/51/71/07/1304517107.db2.gz ZYFBZHUZMKFCHI-OAHLLOKOSA-N 1 0 338.423 3.411 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779003492 1304517589 /nfs/dbraw/zinc/51/75/89/1304517589.db2.gz VCBGOPCXFYPDCK-CYBMUJFWSA-N 1 0 338.423 3.268 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1O ZINC000779004223 1304517603 /nfs/dbraw/zinc/51/76/03/1304517603.db2.gz PBDMBMLVVIKLKY-IAQYHMDHSA-N 1 0 341.293 3.454 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000779027727 1304520365 /nfs/dbraw/zinc/52/03/65/1304520365.db2.gz UBYJLMMMHCBOPA-DGCLKSJQSA-N 1 0 341.293 3.456 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CC)C[C@@H](O)C(F)(F)F)cc1F ZINC000779193963 1304541224 /nfs/dbraw/zinc/54/12/24/1304541224.db2.gz VEDJBWLBCBGSAF-OAHLLOKOSA-N 1 0 336.373 3.417 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c(O)c1 ZINC000781528545 1304839660 /nfs/dbraw/zinc/83/96/60/1304839660.db2.gz CIEFVEXOCRPZGS-UHFFFAOYSA-N 1 0 331.416 3.036 20 10 EGCDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000781927116 1304892295 /nfs/dbraw/zinc/89/22/95/1304892295.db2.gz UMBQQCCFIKZILN-APWZRJJASA-N 1 0 331.504 3.222 20 10 EGCDRO CCC[N@H+](CCOc1ccccc1C(=O)OC)Cc1ccccc1O ZINC000782478759 1304981204 /nfs/dbraw/zinc/98/12/04/1304981204.db2.gz ISVDFKMTMGGCRJ-UHFFFAOYSA-N 1 0 343.423 3.470 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)c(O)c1OC ZINC000891494755 1305067518 /nfs/dbraw/zinc/06/75/18/1305067518.db2.gz FMDNDOYJGDOZQQ-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Br)ccc1O ZINC000783647385 1305122346 /nfs/dbraw/zinc/12/23/46/1305122346.db2.gz KSLZJPWKFTVIRF-BXUZGUMPSA-N 1 0 339.277 3.290 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)c(O)c1 ZINC000783718099 1305131290 /nfs/dbraw/zinc/13/12/90/1305131290.db2.gz OSOINXYDMDMRGS-OAHLLOKOSA-N 1 0 333.350 3.334 20 10 EGCDRO COc1ccc(C[NH+]2CCC(OCCC(C)C)CC2)c(O)c1OC ZINC000891724994 1305147853 /nfs/dbraw/zinc/14/78/53/1305147853.db2.gz MBDKRPZXXKUBJW-UHFFFAOYSA-N 1 0 337.460 3.437 20 10 EGCDRO CC(C)[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000784442003 1305245128 /nfs/dbraw/zinc/24/51/28/1305245128.db2.gz KOKJKSSPRLGQKX-GDBMZVCRSA-N 1 0 342.842 3.120 20 10 EGCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000892120999 1305256044 /nfs/dbraw/zinc/25/60/44/1305256044.db2.gz QHRRDXDCXGECRD-QGZVFWFLSA-N 1 0 345.439 3.183 20 10 EGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2O)C12CCC2 ZINC000892230137 1305288301 /nfs/dbraw/zinc/28/83/01/1305288301.db2.gz WCBNXFLLAXZIIB-CVEARBPZSA-N 1 0 335.444 3.189 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000892559481 1305441395 /nfs/dbraw/zinc/44/13/95/1305441395.db2.gz NESLIEZIYMIQDV-UHFFFAOYSA-N 1 0 347.411 3.107 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c(O)c1OC ZINC000892964620 1305629351 /nfs/dbraw/zinc/62/93/51/1305629351.db2.gz ZIHUPXWETKOSGI-MRXNPFEDSA-N 1 0 342.439 3.168 20 10 EGCDRO CCn1cccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1=O ZINC000788523530 1305962717 /nfs/dbraw/zinc/96/27/17/1305962717.db2.gz DVGDRCWYASGIMH-UHFFFAOYSA-N 1 0 325.456 3.148 20 10 EGCDRO COc1ccc(CNc2ccccc2CC[NH+](C)C)c(O)c1OC ZINC000893890104 1306116110 /nfs/dbraw/zinc/11/61/10/1306116110.db2.gz KDAUPPKZJZCMLG-UHFFFAOYSA-N 1 0 330.428 3.126 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000894096687 1306217981 /nfs/dbraw/zinc/21/79/81/1306217981.db2.gz YLFXCNVGWFQUQO-CQSZACIVSA-N 1 0 342.443 3.084 20 10 EGCDRO COc1cccc([C@@H](C[NH2+]Cc2cc(C)cc(OC)c2O)N(C)C)c1 ZINC000894144016 1306244372 /nfs/dbraw/zinc/24/43/72/1306244372.db2.gz ZJGVLRCOLWQHAG-GOSISDBHSA-N 1 0 344.455 3.110 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)c1O ZINC000894262837 1306309050 /nfs/dbraw/zinc/30/90/50/1306309050.db2.gz WUFFLXVYPVPNEH-GOSISDBHSA-N 1 0 345.439 3.320 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](CN(C)C)c2ccc(OC)cc2)c(O)c1 ZINC000790651087 1306369140 /nfs/dbraw/zinc/36/91/40/1306369140.db2.gz CDEMLFVDODNTCB-LJQANCHMSA-N 1 0 344.455 3.192 20 10 EGCDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000809790195 1317901491 /nfs/dbraw/zinc/90/14/91/1317901491.db2.gz CEMHWTKMAFSEOQ-INIZCTEOSA-N 1 0 342.277 3.448 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894699039 1309026528 /nfs/dbraw/zinc/02/65/28/1309026528.db2.gz CPKLYYXKUZNYKL-GOSISDBHSA-N 1 0 344.455 3.110 20 10 EGCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792830034 1309239533 /nfs/dbraw/zinc/23/95/33/1309239533.db2.gz UKYZECVTFQAODC-CQSZACIVSA-N 1 0 344.377 3.299 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC2(CO)CCCC2)c(C(F)(F)F)c1 ZINC000793086457 1309293524 /nfs/dbraw/zinc/29/35/24/1309293524.db2.gz STKNHCFCPSXZKL-UHFFFAOYSA-N 1 0 330.394 3.414 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1O ZINC000895392881 1309313326 /nfs/dbraw/zinc/31/33/26/1309313326.db2.gz UKUQMCBNERLJFM-HXUWFJFHSA-N 1 0 327.424 3.193 20 10 EGCDRO COCC[C@]1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOC1 ZINC000793189207 1309313938 /nfs/dbraw/zinc/31/39/38/1309313938.db2.gz TWNPLRATKYLLTG-INIZCTEOSA-N 1 0 346.393 3.057 20 10 EGCDRO COc1ccc([C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C2CC2)cn1 ZINC000895415376 1309327663 /nfs/dbraw/zinc/32/76/63/1309327663.db2.gz LSDWXOYTFSJYID-GOSISDBHSA-N 1 0 328.412 3.354 20 10 EGCDRO Oc1cc(Cl)cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000895451891 1309343512 /nfs/dbraw/zinc/34/35/12/1309343512.db2.gz UFQXIQICGZWXJO-UHFFFAOYSA-N 1 0 346.858 3.297 20 10 EGCDRO CCN(CC)c1ccc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1F ZINC000793361439 1309352992 /nfs/dbraw/zinc/35/29/92/1309352992.db2.gz HUNRRPOBTVXXIS-BEFAXECRSA-N 1 0 336.451 3.052 20 10 EGCDRO COc1ccc(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)c(O)c1 ZINC000793385601 1309361176 /nfs/dbraw/zinc/36/11/76/1309361176.db2.gz COPJALZXOFUINZ-UHFFFAOYSA-N 1 0 348.393 3.438 20 10 EGCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3c(C)cccc3O)C2)cc1F ZINC000895503866 1309378229 /nfs/dbraw/zinc/37/82/29/1309378229.db2.gz DTXIQSHXNTWZTQ-AWEZNQCLSA-N 1 0 344.386 3.131 20 10 EGCDRO Fc1cc(C[NH+]2CCC3(CCOCC3)CC2)ccc1N1CCOCC1 ZINC000793620156 1309417797 /nfs/dbraw/zinc/41/77/97/1309417797.db2.gz MCJROWZAKIONFP-UHFFFAOYSA-N 1 0 348.462 3.055 20 10 EGCDRO C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(Cl)c3[O-])cc2)CC1 ZINC000895607370 1309426522 /nfs/dbraw/zinc/42/65/22/1309426522.db2.gz NZEPVKHGGUCVTM-UHFFFAOYSA-N 1 0 345.874 3.087 20 10 EGCDRO Cc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)c(C)c1 ZINC000794660582 1309566365 /nfs/dbraw/zinc/56/63/65/1309566365.db2.gz GQFGKCKVLAGGLJ-QRWLVFNGSA-N 1 0 339.435 3.424 20 10 EGCDRO Cc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702272 1309577464 /nfs/dbraw/zinc/57/74/64/1309577464.db2.gz JQMRPXOGLAMXQO-FOIQADDNSA-N 1 0 333.472 3.378 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(C)cc1O ZINC000794820262 1309601439 /nfs/dbraw/zinc/60/14/39/1309601439.db2.gz ZUTBHWCEYJPJNJ-KRWDZBQOSA-N 1 0 345.464 3.271 20 10 EGCDRO COc1cc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)c(O)cc1C ZINC000795740970 1309824883 /nfs/dbraw/zinc/82/48/83/1309824883.db2.gz CQDVYUUSLFUOPV-UHFFFAOYSA-N 1 0 348.487 3.322 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796303109 1309961182 /nfs/dbraw/zinc/96/11/82/1309961182.db2.gz GNSRVXPYRGLOGK-JOCHJYFZSA-N 1 0 336.479 3.500 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCC(C)(C)C2)cc1 ZINC000796529580 1310020444 /nfs/dbraw/zinc/02/04/44/1310020444.db2.gz CNTLTIQJNXMDIV-GOSISDBHSA-N 1 0 331.504 3.222 20 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/nfs/dbraw/zinc/77/26/43/1310772643.db2.gz IIGBJPAOZJNIDT-QIENPNARSA-N 1 0 342.414 3.402 20 10 EGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2Cl)C1 ZINC000800572149 1310784187 /nfs/dbraw/zinc/78/41/87/1310784187.db2.gz SGMCTPORCJNXFE-ZBFHGGJFSA-N 1 0 349.906 3.144 20 10 EGCDRO CCCC[N@H+](CC(=O)NCc1ccccc1)Cc1ccccc1O ZINC000801599273 1310972804 /nfs/dbraw/zinc/97/28/04/1310972804.db2.gz IKVFJMGYYJJWQA-UHFFFAOYSA-N 1 0 326.440 3.311 20 10 EGCDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000824615599 1320271315 /nfs/dbraw/zinc/27/13/15/1320271315.db2.gz JDTJKNJGNIPFTA-OAHLLOKOSA-N 1 0 328.412 3.208 20 10 EGCDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000825098971 1320309569 /nfs/dbraw/zinc/30/95/69/1320309569.db2.gz RAODBJGLKZXMSU-LIRRHRJNSA-N 1 0 347.459 3.488 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000824893131 1320294371 /nfs/dbraw/zinc/29/43/71/1320294371.db2.gz LHNKJDAIJDKIMG-DGCLKSJQSA-N 1 0 330.350 3.073 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1Cl ZINC000824894201 1320294470 /nfs/dbraw/zinc/29/44/70/1320294470.db2.gz BZTVIWUYDYPXME-AWEZNQCLSA-N 1 0 337.769 3.489 20 10 EGCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(Br)cc1O ZINC000825396458 1320334978 /nfs/dbraw/zinc/33/49/78/1320334978.db2.gz ULJPLNVXLOTXLM-IINYFYTJSA-N 1 0 340.217 3.350 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710297 1320357475 /nfs/dbraw/zinc/35/74/75/1320357475.db2.gz LMSOKWZIUWQFRU-HZMBPMFUSA-N 1 0 337.769 3.489 20 10 EGCDRO C[N@H+](Cc1ccc(Br)cc1O)[C@H](CO)c1ccccc1 ZINC000826049522 1320380870 /nfs/dbraw/zinc/38/08/70/1320380870.db2.gz UENHTFRHUQPBIT-OAHLLOKOSA-N 1 0 336.229 3.320 20 10 EGCDRO COc1cc(O)c(C[NH+]2CC(Cc3cccc(C)c3)C2)cc1OC ZINC000839131383 1320876133 /nfs/dbraw/zinc/87/61/33/1320876133.db2.gz JJCVHPMFIYAFHL-UHFFFAOYSA-N 1 0 327.424 3.392 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CCc1cccc(Br)c1 ZINC000839150292 1320881244 /nfs/dbraw/zinc/88/12/44/1320881244.db2.gz WDMRNNRCUCPULI-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)c2ccc(OC)cc2)cc1 ZINC000839185062 1320889271 /nfs/dbraw/zinc/88/92/71/1320889271.db2.gz ONCKNXPFJMEJGP-IBGZPJMESA-N 1 0 342.483 3.407 20 10 EGCDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226259 1328525088 /nfs/dbraw/zinc/52/50/88/1328525088.db2.gz JGOPFFBCXOEEEH-WIYYLYMNSA-N 1 0 338.451 3.284 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c(O)c1 ZINC000858011714 1328657260 /nfs/dbraw/zinc/65/72/60/1328657260.db2.gz RDNPYYPPQLYNFB-QGZVFWFLSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCC34CC4)C2)cc1C ZINC001019036179 1317018031 /nfs/dbraw/zinc/01/80/31/1317018031.db2.gz NUYMNAZATIDOGY-ZWKOTPCHSA-N 1 0 342.483 3.274 20 10 EGCDRO CC[C@@H](C[NH2+]Cc1c(O)cccc1Br)N1CCCC1 ZINC000858093874 1328680421 /nfs/dbraw/zinc/68/04/21/1328680421.db2.gz ATKKBRTUZHZSMB-LBPRGKRZSA-N 1 0 327.266 3.119 20 10 EGCDRO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000805311243 1317340718 /nfs/dbraw/zinc/34/07/18/1317340718.db2.gz YPVDFTDKEQFWHS-TXPKVOOTSA-N 1 0 344.503 3.082 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1F ZINC000858172425 1328702666 /nfs/dbraw/zinc/70/26/66/1328702666.db2.gz UEYWEIMGIFJHIU-HNAYVOBHSA-N 1 0 347.409 3.436 20 10 EGCDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccccc1O)[NH+](C)C ZINC000806644338 1317515545 /nfs/dbraw/zinc/51/55/45/1317515545.db2.gz XZMHJIARLBFLFR-KXBFYZLASA-N 1 0 341.455 3.191 20 10 EGCDRO C[C@H]([NH2+]CCN1CCCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000903231999 1317677241 /nfs/dbraw/zinc/67/72/41/1317677241.db2.gz SIMAKJQIGKVWGQ-SFHVURJKSA-N 1 0 331.504 3.050 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000903407863 1317697545 /nfs/dbraw/zinc/69/75/45/1317697545.db2.gz QUEPJWLAUNESFK-IINYFYTJSA-N 1 0 328.250 3.275 20 10 EGCDRO Cc1ncc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000903447639 1317700764 /nfs/dbraw/zinc/70/07/64/1317700764.db2.gz AICBCLJQIYGQAA-GUYCJALGSA-N 1 0 332.517 3.471 20 10 EGCDRO Cc1csc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000903447772 1317700988 /nfs/dbraw/zinc/70/09/88/1317700988.db2.gz CIQOQJWHLVSISS-PBHICJAKSA-N 1 0 332.517 3.471 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCc3ncccc32)N(C)C)cc1 ZINC000903448757 1317702491 /nfs/dbraw/zinc/70/24/91/1317702491.db2.gz SBQUTPZGBYMCRC-NHCUHLMSSA-N 1 0 338.499 3.418 20 10 EGCDRO CN(C)CC[N@@H+](Cc1cc2c(cc1O)OCO2)CC1CCCCC1 ZINC000809736897 1317884031 /nfs/dbraw/zinc/88/40/31/1317884031.db2.gz NEALSZNFFAUHNN-UHFFFAOYSA-N 1 0 334.460 3.065 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC[C@H](O)c3ccccc3)CC2)cc1 ZINC000809748090 1317889047 /nfs/dbraw/zinc/88/90/47/1317889047.db2.gz JHUSWHCAYAVUFD-NRFANRHFSA-N 1 0 340.467 3.377 20 10 EGCDRO CCN(CCC[NH+](C)C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809749150 1317890724 /nfs/dbraw/zinc/89/07/24/1317890724.db2.gz CCFMIKDNVUCTHB-UHFFFAOYSA-N 1 0 348.491 3.359 20 10 EGCDRO CC[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810212325 1317977445 /nfs/dbraw/zinc/97/74/45/1317977445.db2.gz QGZAUNKEVPWKGO-ZDUSSCGKSA-N 1 0 332.366 3.320 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(C(F)(F)F)cc1O ZINC000810215957 1317977640 /nfs/dbraw/zinc/97/76/40/1317977640.db2.gz PMTPHWXPZVFLCM-JOYOIKCWSA-N 1 0 328.338 3.341 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810214984 1317978074 /nfs/dbraw/zinc/97/80/74/1317978074.db2.gz NEZJNSZGEQGONH-HIFRSBDPSA-N 1 0 347.377 3.239 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810237092 1317982301 /nfs/dbraw/zinc/98/23/01/1317982301.db2.gz FDMGJWUDJHQNLU-HUBLWGQQSA-N 1 0 347.377 3.097 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810238527 1317984019 /nfs/dbraw/zinc/98/40/19/1317984019.db2.gz QXCHVUIHPWGWBJ-FZMZJTMJSA-N 1 0 344.377 3.463 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810238914 1317984040 /nfs/dbraw/zinc/98/40/40/1317984040.db2.gz UBYDXJAIYZLWNN-KOLCDFICSA-N 1 0 327.293 3.468 20 10 EGCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810257188 1317988172 /nfs/dbraw/zinc/98/81/72/1317988172.db2.gz MSBUITMWFFOGGZ-MCIONIFRSA-N 1 0 326.868 3.251 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C(C)(C)F)cc1C ZINC000959841674 1318219032 /nfs/dbraw/zinc/21/90/32/1318219032.db2.gz HDEVYKHDJBCJLU-INIZCTEOSA-N 1 0 336.451 3.222 20 10 EGCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000811974241 1318300293 /nfs/dbraw/zinc/30/02/93/1318300293.db2.gz PZWCCCOIFRALJR-OAHLLOKOSA-N 1 0 347.503 3.191 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000858419411 1328757925 /nfs/dbraw/zinc/75/79/25/1328757925.db2.gz KDKMUJGSEWPVCI-SFHVURJKSA-N 1 0 345.487 3.297 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c(O)c1 ZINC000812741558 1318447936 /nfs/dbraw/zinc/44/79/36/1318447936.db2.gz VGHLKZALWQHIJP-UONOGXRCSA-N 1 0 328.387 3.296 20 10 EGCDRO Fc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000812771819 1318451154 /nfs/dbraw/zinc/45/11/54/1318451154.db2.gz AEWUWWQMEFCVLF-INIZCTEOSA-N 1 0 326.415 3.377 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Br)c(F)cc1[O-] ZINC000813878558 1318648513 /nfs/dbraw/zinc/64/85/13/1318648513.db2.gz PFBQWTHFABYNPJ-VHSXEESVSA-N 1 0 333.245 3.142 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1 ZINC000813885639 1318651825 /nfs/dbraw/zinc/65/18/25/1318651825.db2.gz PLAFQDNFDNPBDT-OAHLLOKOSA-N 1 0 326.444 3.250 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3ccsc3)C2)cc1C ZINC001021797328 1318688177 /nfs/dbraw/zinc/68/81/77/1318688177.db2.gz HXIUKUFXDCKOBI-CALCHBBNSA-N 1 0 344.480 3.045 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@]3(C)CC=CCC3)C2)cc1C ZINC001022131693 1318811811 /nfs/dbraw/zinc/81/18/11/1318811811.db2.gz YMKQHIHQELKAOL-LVCYWYKZSA-N 1 0 342.483 3.487 20 10 EGCDRO CS[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000815092551 1318888067 /nfs/dbraw/zinc/88/80/67/1318888067.db2.gz KHWSWJYFWJRNGD-OALUTQOASA-N 1 0 333.545 3.073 20 10 EGCDRO Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815092731 1318888595 /nfs/dbraw/zinc/88/85/95/1318888595.db2.gz POTZOLMJFRTIJW-FQEVSTJZSA-N 1 0 337.467 3.043 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c(O)c1 ZINC000815564658 1319015621 /nfs/dbraw/zinc/01/56/21/1319015621.db2.gz PDHZJCHXWWOBKC-HOCLYGCPSA-N 1 0 333.403 3.239 20 10 EGCDRO COC(=O)N1CC([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815597457 1319023824 /nfs/dbraw/zinc/02/38/24/1319023824.db2.gz WJKBDFHCYSAIQF-SFHVURJKSA-N 1 0 340.423 3.106 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000815594024 1319024992 /nfs/dbraw/zinc/02/49/92/1319024992.db2.gz CZOXDJKWWDGPSG-ZNMIVQPWSA-N 1 0 325.474 3.015 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000815625700 1319030198 /nfs/dbraw/zinc/03/01/98/1319030198.db2.gz KHUSZMDSTQTORU-IAGOWNOFSA-N 1 0 345.487 3.340 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000815625699 1319030668 /nfs/dbraw/zinc/03/06/68/1319030668.db2.gz KHUSZMDSTQTORU-DLBZAZTESA-N 1 0 345.487 3.340 20 10 EGCDRO [O-]c1cc(F)c(Cl)cc1CN1CCN(c2ccccc2O)CC1 ZINC000816480058 1319160912 /nfs/dbraw/zinc/16/09/12/1319160912.db2.gz BVHLUWQZWJVZIJ-UHFFFAOYSA-N 1 0 336.794 3.213 20 10 EGCDRO Oc1c(C[NH2+]C[C@H](O)COc2cccc(F)c2)ccc2ccccc21 ZINC000816538429 1319178199 /nfs/dbraw/zinc/17/81/99/1319178199.db2.gz RIXANWZXRJFBFD-KRWDZBQOSA-N 1 0 341.382 3.214 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816553559 1319180966 /nfs/dbraw/zinc/18/09/66/1319180966.db2.gz ZNCJIDDDMYYJGC-UHFFFAOYSA-N 1 0 338.407 3.357 20 10 EGCDRO Oc1c(C[NH+]2CCN(Cc3ccncc3)CC2)ccc2ccccc21 ZINC000816564349 1319184934 /nfs/dbraw/zinc/18/49/34/1319184934.db2.gz CCTPEMYGSFJOPB-UHFFFAOYSA-N 1 0 333.435 3.258 20 10 EGCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816609862 1319193902 /nfs/dbraw/zinc/19/39/02/1319193902.db2.gz OYMQGFZMJZXYPL-JOCHJYFZSA-N 1 0 341.835 3.353 20 10 EGCDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000817410657 1319351768 /nfs/dbraw/zinc/35/17/68/1319351768.db2.gz CRWJJCXORARMRE-GOSISDBHSA-N 1 0 329.488 3.025 20 10 EGCDRO CON1CCC([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000817418169 1319354432 /nfs/dbraw/zinc/35/44/32/1319354432.db2.gz DUAFFIKFJGBBEY-UHFFFAOYSA-N 1 0 345.512 3.500 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCn2cncn2)cc1 ZINC000915227899 1319448370 /nfs/dbraw/zinc/44/83/70/1319448370.db2.gz AITYVNBQZIEDDY-UHFFFAOYSA-N 1 0 349.482 3.485 20 10 EGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817938295 1319467033 /nfs/dbraw/zinc/46/70/33/1319467033.db2.gz IJRVEYUGQHCNOP-ACJLOTCBSA-N 1 0 328.416 3.011 20 10 EGCDRO CC(C)(C(=O)NCCCSc1nccs1)[C@@H]([NH3+])c1ccccc1 ZINC000817940540 1319468677 /nfs/dbraw/zinc/46/86/77/1319468677.db2.gz JPIWNERAMGUVRC-AWEZNQCLSA-N 1 0 349.525 3.468 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000817943584 1319471765 /nfs/dbraw/zinc/47/17/65/1319471765.db2.gz VQOZDBXZZFPWJC-WOJBJXKFSA-N 1 0 341.524 3.373 20 10 EGCDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(N)cc2)c(C)c1OC ZINC000817957403 1319476055 /nfs/dbraw/zinc/47/60/55/1319476055.db2.gz MALJWEWZYXAWJH-CQSZACIVSA-N 1 0 328.456 3.358 20 10 EGCDRO CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817959450 1319477807 /nfs/dbraw/zinc/47/78/07/1319477807.db2.gz RKFMBKLBQWJQRX-CABCVRRESA-N 1 0 339.911 3.201 20 10 EGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000817975823 1319482702 /nfs/dbraw/zinc/48/27/02/1319482702.db2.gz CVAFPKAPGAIMDW-JENIJYKNSA-N 1 0 328.431 3.356 20 10 EGCDRO COCC1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC[NH2+]CC1 ZINC000817975510 1319482719 /nfs/dbraw/zinc/48/27/19/1319482719.db2.gz VVKWECZNLBJNQQ-LLVKDONJSA-N 1 0 347.286 3.366 20 10 EGCDRO COC[C@@]1(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)CCC[NH2+]1 ZINC000817975936 1319483853 /nfs/dbraw/zinc/48/38/53/1319483853.db2.gz ZZHMBZSTGMIENO-NQIIRXRSSA-N 1 0 345.531 3.486 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)cc(F)c1[O-] ZINC000817976568 1319484057 /nfs/dbraw/zinc/48/40/57/1319484057.db2.gz NUFVIWOQMOUTNW-NOZJJQNGSA-N 1 0 343.240 3.087 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(Br)cc(F)c1[O-] ZINC000817981791 1319485896 /nfs/dbraw/zinc/48/58/96/1319485896.db2.gz NSWQCZXNBYTRDP-ATZCPNFKSA-N 1 0 331.229 3.072 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CC(C)(C)OC3(C)C)C2)cc1 ZINC000818343642 1319532003 /nfs/dbraw/zinc/53/20/03/1319532003.db2.gz CFUNXUGOKCXBOH-MAUKXSAKSA-N 1 0 332.488 3.457 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1ccc2ccccc2c1 ZINC000818996022 1319610710 /nfs/dbraw/zinc/61/07/10/1319610710.db2.gz AFOSGJUPQUJCKB-HXUWFJFHSA-N 1 0 349.430 3.304 20 10 EGCDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819038846 1319620787 /nfs/dbraw/zinc/62/07/87/1319620787.db2.gz JODJQWFFHYHQHK-HXUWFJFHSA-N 1 0 334.504 3.046 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C=C(C)C)C2)cc1C ZINC001023816508 1319961217 /nfs/dbraw/zinc/96/12/17/1319961217.db2.gz GFLSQURBNSTBKO-GOSISDBHSA-N 1 0 330.472 3.298 20 10 EGCDRO C[C@H](C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1)[NH+](C)C ZINC000821719475 1320027242 /nfs/dbraw/zinc/02/72/42/1320027242.db2.gz CLAODIUWRYQQLU-JKSUJKDBSA-N 1 0 326.440 3.432 20 10 EGCDRO CN(C)c1ncc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1C ZINC000822442625 1320082633 /nfs/dbraw/zinc/08/26/33/1320082633.db2.gz GALJRFVVEGKWRD-UHFFFAOYSA-N 1 0 328.460 3.137 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2cnn(C)c2)cc1 ZINC000823699009 1320198434 /nfs/dbraw/zinc/19/84/34/1320198434.db2.gz YPTPPBLISJUDHT-UHFFFAOYSA-N 1 0 326.469 3.408 20 10 EGCDRO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824395851 1320254521 /nfs/dbraw/zinc/25/45/21/1320254521.db2.gz KAKBLQMFTAUDCQ-OAHLLOKOSA-N 1 0 343.496 3.095 20 10 EGCDRO OCC1(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000825040469 1320306139 /nfs/dbraw/zinc/30/61/39/1320306139.db2.gz LBLZMNYCFZEVLN-UHFFFAOYSA-N 1 0 327.424 3.223 20 10 EGCDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000825104362 1320310710 /nfs/dbraw/zinc/31/07/10/1320310710.db2.gz VBHWHNHWMRQHHQ-OALUTQOASA-N 1 0 348.462 3.052 20 10 EGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1F ZINC000825167201 1320316113 /nfs/dbraw/zinc/31/61/13/1320316113.db2.gz JJEFIOVSMDWXIQ-UHFFFAOYSA-N 1 0 334.366 3.107 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000825188653 1320316720 /nfs/dbraw/zinc/31/67/20/1320316720.db2.gz MBRHAUACMHVPLO-DLBZAZTESA-N 1 0 325.456 3.260 20 10 EGCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000825497227 1320342747 /nfs/dbraw/zinc/34/27/47/1320342747.db2.gz DNBKMMOIYDSVLU-VXGBXAGGSA-N 1 0 328.250 3.450 20 10 EGCDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825568277 1320347468 /nfs/dbraw/zinc/34/74/68/1320347468.db2.gz VTILNDHVGMKRSW-HNNXBMFYSA-N 1 0 328.250 3.139 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1Cl ZINC000825753351 1320360278 /nfs/dbraw/zinc/36/02/78/1320360278.db2.gz QMHIFAPVKYMGJF-DYVFJYSZSA-N 1 0 325.836 3.124 20 10 EGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000825949419 1320374443 /nfs/dbraw/zinc/37/44/43/1320374443.db2.gz UTUFYDLXPKOWEE-AWEZNQCLSA-N 1 0 328.250 3.041 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000826019674 1320378749 /nfs/dbraw/zinc/37/87/49/1320378749.db2.gz JFZXTDPVUXUAHG-VQTJNVASSA-N 1 0 343.515 3.127 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CN2CCC(C)CC2)c1O ZINC000827352829 1320447215 /nfs/dbraw/zinc/44/72/15/1320447215.db2.gz QXDATRZQSWQTBH-ZDUSSCGKSA-N 1 0 326.868 3.264 20 10 EGCDRO CC(=O)NCC1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827486846 1320456237 /nfs/dbraw/zinc/45/62/37/1320456237.db2.gz OTUPLJROBLMXPP-UHFFFAOYSA-N 1 0 343.515 3.333 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4c(n3)CCC4)CC2)cc1 ZINC000838927653 1320836684 /nfs/dbraw/zinc/83/66/84/1320836684.db2.gz SKZOTBUPSXGWQG-UHFFFAOYSA-N 1 0 337.467 3.338 20 10 EGCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1)C(N)=O ZINC000840106249 1321029953 /nfs/dbraw/zinc/02/99/53/1321029953.db2.gz BLFLYGDBXOGKOC-OAHLLOKOSA-N 1 0 344.499 3.385 20 10 EGCDRO O=C1NCCC[C@@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000840825743 1321157248 /nfs/dbraw/zinc/15/72/48/1321157248.db2.gz KFTUMUDQDLVASB-MJGOQNOKSA-N 1 0 338.451 3.182 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840863005 1321164577 /nfs/dbraw/zinc/16/45/77/1321164577.db2.gz DMKBLDRYOMMLOX-GDBMZVCRSA-N 1 0 328.412 3.472 20 10 EGCDRO NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000840862952 1321164597 /nfs/dbraw/zinc/16/45/97/1321164597.db2.gz CSQSBDRZAGNXOF-HZPDHXFCSA-N 1 0 326.396 3.090 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000840872665 1321166628 /nfs/dbraw/zinc/16/66/28/1321166628.db2.gz MDCPQDNTTSBCCM-WBTNSWJXSA-N 1 0 336.451 3.126 20 10 EGCDRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc2ccccc2c1O ZINC000840875020 1321167184 /nfs/dbraw/zinc/16/71/84/1321167184.db2.gz BWWBQBKWICYYLY-ZDUSSCGKSA-N 1 0 335.469 3.409 20 10 EGCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(N(C)C)cc1C)n2C ZINC000840938957 1321181922 /nfs/dbraw/zinc/18/19/22/1321181922.db2.gz SBLUULNFZXNDTM-UHFFFAOYSA-N 1 0 338.455 3.246 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000840947159 1321183913 /nfs/dbraw/zinc/18/39/13/1321183913.db2.gz NWUVJFGREJUIMK-INIZCTEOSA-N 1 0 330.394 3.340 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000840957201 1321186364 /nfs/dbraw/zinc/18/63/64/1321186364.db2.gz JESUHIVQJPICFL-CVEARBPZSA-N 1 0 333.815 3.362 20 10 EGCDRO Nc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000841033866 1321205373 /nfs/dbraw/zinc/20/53/73/1321205373.db2.gz CLBPEQQXLABLQG-UHFFFAOYSA-N 1 0 337.326 3.111 20 10 EGCDRO NC[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CCCCC1 ZINC000841039154 1321206475 /nfs/dbraw/zinc/20/64/75/1321206475.db2.gz CODFWLYQAFCYSP-AWEZNQCLSA-N 1 0 327.266 3.152 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841040363 1321206536 /nfs/dbraw/zinc/20/65/36/1321206536.db2.gz KYRZEUONKVUNLA-FQEVSTJZSA-N 1 0 327.472 3.331 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841040364 1321206702 /nfs/dbraw/zinc/20/67/02/1321206702.db2.gz KYRZEUONKVUNLA-HXUWFJFHSA-N 1 0 327.472 3.331 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000841043548 1321208478 /nfs/dbraw/zinc/20/84/78/1321208478.db2.gz PGBLGFQXBWAPGJ-KRWDZBQOSA-N 1 0 348.288 3.305 20 10 EGCDRO COc1cccc2cc(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)oc21 ZINC000841046047 1321209497 /nfs/dbraw/zinc/20/94/97/1321209497.db2.gz VGBVRIROAHLIFL-SFHVURJKSA-N 1 0 339.439 3.297 20 10 EGCDRO [NH3+]CC[C@H](NCc1ccc(OCc2ccccc2)cc1O)C(F)F ZINC000841075243 1321214494 /nfs/dbraw/zinc/21/44/94/1321214494.db2.gz ZOFOQMAXUGYOFF-INIZCTEOSA-N 1 0 336.382 3.043 20 10 EGCDRO [NH3+][C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1c1cccc(F)c1 ZINC000841104752 1321218774 /nfs/dbraw/zinc/21/87/74/1321218774.db2.gz ZUHILGURNTXJJT-GOEBONIOSA-N 1 0 338.785 3.251 20 10 EGCDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(N)cc1 ZINC000841301890 1321250530 /nfs/dbraw/zinc/25/05/30/1321250530.db2.gz HQOXLTFPBVJWNP-UHFFFAOYSA-N 1 0 326.444 3.431 20 10 EGCDRO COC1(C(F)(F)F)CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000841690416 1321297556 /nfs/dbraw/zinc/29/75/56/1321297556.db2.gz VGAXPNICMSEXQD-UHFFFAOYSA-N 1 0 340.345 3.484 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841756129 1321307398 /nfs/dbraw/zinc/30/73/98/1321307398.db2.gz REAGJSBXZUVNTI-NSHDSACASA-N 1 0 339.844 3.300 20 10 EGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000841755079 1321307492 /nfs/dbraw/zinc/30/74/92/1321307492.db2.gz HADPCSGZVWLXEC-DOTOQJQBSA-N 1 0 338.467 3.374 20 10 EGCDRO C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841757263 1321307745 /nfs/dbraw/zinc/30/77/45/1321307745.db2.gz CTJIEDPXNTWKJS-KBPBESRZSA-N 1 0 338.879 3.197 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000841762135 1321308533 /nfs/dbraw/zinc/30/85/33/1321308533.db2.gz MIPUNAJUNUWXRU-HNNXBMFYSA-N 1 0 347.499 3.489 20 10 EGCDRO O=C(NC[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841923959 1321329792 /nfs/dbraw/zinc/32/97/92/1321329792.db2.gz SAUYUSWKXWZREM-MRXNPFEDSA-N 1 0 345.487 3.236 20 10 EGCDRO C[C@H](CCC[NH3+])NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000841999648 1321334370 /nfs/dbraw/zinc/33/43/70/1321334370.db2.gz NIERPWICTWFNCU-OAHLLOKOSA-N 1 0 333.476 3.364 20 10 EGCDRO Cc1cc2c(ncnc2NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000842270009 1321366747 /nfs/dbraw/zinc/36/67/47/1321366747.db2.gz YLUMVDXJZGYCEC-OAHLLOKOSA-N 1 0 327.457 3.178 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNc2ncccc2Br)cc1 ZINC000842268868 1321367052 /nfs/dbraw/zinc/36/70/52/1321367052.db2.gz ASPMWLXJMMIRGS-CQSZACIVSA-N 1 0 335.249 3.022 20 10 EGCDRO CC(C)Cn1nccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000842672720 1321416777 /nfs/dbraw/zinc/41/67/77/1321416777.db2.gz ZWNIGGDLSCEASY-UHFFFAOYSA-N 1 0 344.528 3.382 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(N2CCNC2=O)cc1 ZINC000842900530 1321447844 /nfs/dbraw/zinc/44/78/44/1321447844.db2.gz IBXZAODRKVXCOW-CXAGYDPISA-N 1 0 337.423 3.260 20 10 EGCDRO C[NH2+][C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843048660 1321460936 /nfs/dbraw/zinc/46/09/36/1321460936.db2.gz OGHACXFLUQFNCX-SFHVURJKSA-N 1 0 326.440 3.155 20 10 EGCDRO CCCN(Cc1cc(C)cc(Br)c1O)[C@@H]1CC[NH2+]C1 ZINC000843052487 1321461923 /nfs/dbraw/zinc/46/19/23/1321461923.db2.gz MNSKZLWNFYCCFY-CYBMUJFWSA-N 1 0 327.266 3.037 20 10 EGCDRO CCc1ccc([C@@H]2C[NH2+]CCN2Cc2cccc(OC)c2O)cc1 ZINC000843116941 1321472769 /nfs/dbraw/zinc/47/27/69/1321472769.db2.gz IXSJSWWBAIKNCC-SFHVURJKSA-N 1 0 326.440 3.110 20 10 EGCDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000843344686 1321502738 /nfs/dbraw/zinc/50/27/38/1321502738.db2.gz QPUZIEGUPZPLTK-GOSISDBHSA-N 1 0 337.427 3.334 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@H]1CCCN(c2ccccc2)C1=O ZINC000843349806 1321503538 /nfs/dbraw/zinc/50/35/38/1321503538.db2.gz DHWGJDRIECCJAO-FQEVSTJZSA-N 1 0 335.451 3.094 20 10 EGCDRO CN(CCC[NH3+])CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000843351432 1321504476 /nfs/dbraw/zinc/50/44/76/1321504476.db2.gz URIVBRPUDXIUDQ-UHFFFAOYSA-N 1 0 325.416 3.321 20 10 EGCDRO CC[N@H+](CCSC)Cc1cc(Br)cc(OC)c1O ZINC000843437676 1321518719 /nfs/dbraw/zinc/51/87/19/1321518719.db2.gz UTIBKSLGFYKVKD-UHFFFAOYSA-N 1 0 334.279 3.348 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccccc2)c1 ZINC000845971896 1321760013 /nfs/dbraw/zinc/76/00/13/1321760013.db2.gz NPAKQBHCNGJVHF-UONOGXRCSA-N 1 0 328.412 3.469 20 10 EGCDRO COc1ccc(N(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000845997687 1321761953 /nfs/dbraw/zinc/76/19/53/1321761953.db2.gz CLVNHIGEJXHKRI-UHFFFAOYSA-N 1 0 325.456 3.083 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c1O ZINC000846137860 1321770366 /nfs/dbraw/zinc/77/03/66/1321770366.db2.gz RQUCUMMVSUIVBC-INIZCTEOSA-N 1 0 348.487 3.087 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000846144330 1321771414 /nfs/dbraw/zinc/77/14/14/1321771414.db2.gz KLMVQOZIXSVWLJ-UKRRQHHQSA-N 1 0 340.423 3.136 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000846146045 1321771565 /nfs/dbraw/zinc/77/15/65/1321771565.db2.gz PHZGCEUXWDORIH-NSHDSACASA-N 1 0 332.366 3.078 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000846153782 1321771926 /nfs/dbraw/zinc/77/19/26/1321771926.db2.gz IIGPSQLFSMNHCY-RHSMWYFYSA-N 1 0 340.423 3.165 20 10 EGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148074 1321772125 /nfs/dbraw/zinc/77/21/25/1321772125.db2.gz WZQYNZZTZHDAGM-LLVKDONJSA-N 1 0 332.356 3.168 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000846169525 1321773998 /nfs/dbraw/zinc/77/39/98/1321773998.db2.gz DYESGONAUOSOAD-GXTWGEPZSA-N 1 0 335.831 3.481 20 10 EGCDRO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000846472367 1321787538 /nfs/dbraw/zinc/78/75/38/1321787538.db2.gz ITIIIBRRUQTQDV-KRWDZBQOSA-N 1 0 344.842 3.326 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c1O ZINC000848560157 1321976198 /nfs/dbraw/zinc/97/61/98/1321976198.db2.gz ZGCCUXRMQUHYOK-MLGOLLRUSA-N 1 0 326.396 3.005 20 10 EGCDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000848565663 1321977252 /nfs/dbraw/zinc/97/72/52/1321977252.db2.gz REHGJWGDLDMZSD-HOTGVXAUSA-N 1 0 343.446 3.339 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848575978 1321978568 /nfs/dbraw/zinc/97/85/68/1321978568.db2.gz YRWDVNITKUBJAW-GJZGRUSLSA-N 1 0 339.277 3.261 20 10 EGCDRO CCc1cccc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1O ZINC000848894765 1322034955 /nfs/dbraw/zinc/03/49/55/1322034955.db2.gz LZSSSJHTIRWXMT-UHFFFAOYSA-N 1 0 332.831 3.128 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000848904910 1322039920 /nfs/dbraw/zinc/03/99/20/1322039920.db2.gz CLUAFBIWOHGGLE-ICSRJNTNSA-N 1 0 329.415 3.350 20 10 EGCDRO COc1cc(Cl)cc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)c1O ZINC000849351599 1322116883 /nfs/dbraw/zinc/11/68/83/1322116883.db2.gz ANICJIZAVPOEKY-QGZVFWFLSA-N 1 0 348.830 3.327 20 10 EGCDRO CN(C)c1ccc(C[N@H+](CCC(=O)N2CCCCC2)C2CC2)cc1 ZINC000920206150 1322149932 /nfs/dbraw/zinc/14/99/32/1322149932.db2.gz DHXAGWSGXKVLPZ-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000850011460 1322180929 /nfs/dbraw/zinc/18/09/29/1322180929.db2.gz PKCHTOUGTYRNHM-INIZCTEOSA-N 1 0 328.456 3.456 20 10 EGCDRO Cc1nc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]c1C ZINC000850137691 1322197624 /nfs/dbraw/zinc/19/76/24/1322197624.db2.gz UPENVMIANADXSH-INIZCTEOSA-N 1 0 348.878 3.140 20 10 EGCDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000850396970 1322238265 /nfs/dbraw/zinc/23/82/65/1322238265.db2.gz RMNDYGIYMUBUBM-SFHVURJKSA-N 1 0 343.515 3.414 20 10 EGCDRO CNC(=O)CC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC000850399006 1322238528 /nfs/dbraw/zinc/23/85/28/1322238528.db2.gz GPXQELBLAUMURZ-UHFFFAOYSA-N 1 0 335.467 3.068 20 10 EGCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000850466230 1322254193 /nfs/dbraw/zinc/25/41/93/1322254193.db2.gz FVSQNSSALHPBCG-LSDHHAIUSA-N 1 0 347.894 3.346 20 10 EGCDRO COc1ccc(N2C[C@H]([NH2+][C@H](C)c3cc(C)ccc3O)CC2=O)cc1 ZINC000850513880 1322259732 /nfs/dbraw/zinc/25/97/32/1322259732.db2.gz HRSBGUMGZGPONH-HUUCEWRRSA-N 1 0 340.423 3.165 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1cc(F)ccc1O ZINC000850574323 1322270612 /nfs/dbraw/zinc/27/06/12/1322270612.db2.gz DJZFIAHMIJCACI-CYBMUJFWSA-N 1 0 343.402 3.302 20 10 EGCDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921942627 1322426779 /nfs/dbraw/zinc/42/67/79/1322426779.db2.gz VJFXMTMRNIRPRV-IBGZPJMESA-N 1 0 327.424 3.234 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CCCO[C@H]1CCCCO1 ZINC000922230318 1322483291 /nfs/dbraw/zinc/48/32/91/1322483291.db2.gz CRFQNVNNIWTIRY-HNNXBMFYSA-N 1 0 344.249 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)/C=C\C3CC3)C2)cc1C ZINC001023911988 1323019830 /nfs/dbraw/zinc/01/98/30/1323019830.db2.gz AMAGKZRGEFIBTR-QIBOZCLASA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H](C)C3CC3)C2)cc1C ZINC001023918523 1323024554 /nfs/dbraw/zinc/02/45/54/1323024554.db2.gz OIXVTJCEGYOOFY-AEFFLSMTSA-N 1 0 344.499 3.378 20 10 EGCDRO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924900814 1323204984 /nfs/dbraw/zinc/20/49/84/1323204984.db2.gz PJHACYIMMUKPIA-XCLFUZPHSA-N 1 0 342.414 3.116 20 10 EGCDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852603159 1323214942 /nfs/dbraw/zinc/21/49/42/1323214942.db2.gz KCIYMGXIEMFPJL-KRWDZBQOSA-N 1 0 346.519 3.014 20 10 EGCDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCSc2nccs2)cn1 ZINC000925101537 1323282094 /nfs/dbraw/zinc/28/20/94/1323282094.db2.gz INHCCTOWXHDNGQ-CABCVRRESA-N 1 0 336.530 3.360 20 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/nfs/dbraw/zinc/46/62/27/1329466227.db2.gz IVFJDQWPZCWIHJ-QGZVFWFLSA-N 1 0 337.423 3.450 20 10 EGCDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000862473423 1329489328 /nfs/dbraw/zinc/48/93/28/1329489328.db2.gz QCLSLMBSXOZUIP-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccccc1O)CC(F)(F)F ZINC000865442729 1329697942 /nfs/dbraw/zinc/69/79/42/1329697942.db2.gz QUSGCCBTMQAXHS-GFCCVEGCSA-N 1 0 348.365 3.328 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H](O)C(F)(F)F ZINC000865712277 1329731717 /nfs/dbraw/zinc/73/17/17/1329731717.db2.gz YUJMVSWEGSCADJ-BDJLRTHQSA-N 1 0 325.330 3.461 20 10 EGCDRO CC[NH+]1CCN(c2ccc(NCc3ccccc3O)cc2F)CC1 ZINC000865850293 1329745474 /nfs/dbraw/zinc/74/54/74/1329745474.db2.gz PSNZLHHIJWPDLR-UHFFFAOYSA-N 1 0 329.419 3.285 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)Cc3cccnc3)cc2)CC1 ZINC000934228648 1329957290 /nfs/dbraw/zinc/95/72/90/1329957290.db2.gz CAVMYMONYASYDK-KRWDZBQOSA-N 1 0 339.483 3.418 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000866376838 1330103788 /nfs/dbraw/zinc/10/37/88/1330103788.db2.gz CMZNTQJNOBFNQR-NMLACTOBSA-N 1 0 342.483 3.069 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccoc3Cl)C2)cc1C ZINC001018775877 1339724346 /nfs/dbraw/zinc/72/43/46/1339724346.db2.gz KCFSHDMSOAQNEZ-AWEZNQCLSA-N 1 0 348.830 3.254 20 10 EGCDRO CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034051922 1342193795 /nfs/dbraw/zinc/19/37/95/1342193795.db2.gz CPYLYXGHNORBRR-MRXNPFEDSA-N 1 0 345.447 3.186 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccco3)C[C@H]2C)cc1C ZINC001035897229 1343256384 /nfs/dbraw/zinc/25/63/84/1343256384.db2.gz HALMDMCMVICTOW-NVXWUHKLSA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)C(C)C)cc1C ZINC001036509535 1343525791 /nfs/dbraw/zinc/52/57/91/1343525791.db2.gz LLZMAPHHVHSHAR-MAUKXSAKSA-N 1 0 332.488 3.376 20 10 EGCDRO CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001036598768 1343569939 /nfs/dbraw/zinc/56/99/39/1343569939.db2.gz ABJDQCLVPCAEBD-CJNGLKHVSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)C(C)C)cc1C ZINC001037188574 1344027993 /nfs/dbraw/zinc/02/79/93/1344027993.db2.gz QXSJMUMRPHZXBA-ZWKOTPCHSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc[nH]c2C)cc1C ZINC001044986633 1346475190 /nfs/dbraw/zinc/47/51/90/1346475190.db2.gz ONXVCKVJNHKKQJ-KRWDZBQOSA-N 1 0 341.455 3.035 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@]2(C)C=CCC2)cc1C ZINC001045154447 1346507515 /nfs/dbraw/zinc/50/75/15/1346507515.db2.gz BNUVYFHCQVNHOP-GHTZIAJQSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C3CC=CC3)C2)cc1C ZINC001047770024 1347365843 /nfs/dbraw/zinc/36/58/43/1347365843.db2.gz PFBIHHAJIHPQKY-APWZRJJASA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CCC3CC3)C[C@H]2C)cc1C ZINC001048185567 1347488158 /nfs/dbraw/zinc/48/81/58/1347488158.db2.gz VELFAXXNPRWYTM-APWZRJJASA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC3CCC3)C[C@H]2C)cc1C ZINC001048193409 1347489534 /nfs/dbraw/zinc/48/95/34/1347489534.db2.gz PVNGSKOUNWZYSH-VQIMIIECSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCC3(C)C)C2)cc1C ZINC001086172801 1359014637 /nfs/dbraw/zinc/01/46/37/1359014637.db2.gz LWCKYMHNWWLGEB-KSZLIROESA-N 1 0 344.499 3.424 20 10 EGCDRO CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001072103182 1355132263 /nfs/dbraw/zinc/13/22/63/1355132263.db2.gz VGGXEFJRPMUBNU-CZUORRHYSA-N 1 0 345.447 3.232 20 10 EGCDRO CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072103183 1355132532 /nfs/dbraw/zinc/13/25/32/1355132532.db2.gz VGGXEFJRPMUBNU-XJKSGUPXSA-N 1 0 345.447 3.232 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3CCC3)CC[C@@H]2C)cc1C ZINC001072154400 1355155418 /nfs/dbraw/zinc/15/54/18/1355155418.db2.gz QDQMCKIFXWPGTJ-KXBFYZLASA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC=CCC3)[C@H]2C)cc1C ZINC001074523819 1356203688 /nfs/dbraw/zinc/20/36/88/1356203688.db2.gz PEAUSOCHFZPVOJ-WDSOQIARSA-N 1 0 342.483 3.439 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)C3CCC3)C23CCC3)cc1C ZINC001078526689 1356994805 /nfs/dbraw/zinc/99/48/05/1356994805.db2.gz SLMQNZIWGRVERT-RTBURBONSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1C ZINC001086455053 1359101996 /nfs/dbraw/zinc/10/19/96/1359101996.db2.gz VIOPOOUIILEWNU-ZMGNVYRQSA-N 1 0 342.483 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc[nH]3)C2)cc1C ZINC001086644333 1359176204 /nfs/dbraw/zinc/17/62/04/1359176204.db2.gz QLHSZDNRRIHKBV-DLBZAZTESA-N 1 0 341.455 3.020 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C2(C)CC2)C3)cc1C ZINC001094926093 1361947026 /nfs/dbraw/zinc/94/70/26/1361947026.db2.gz IDIPKNXCDJHKHZ-BZSNNMDCSA-N 1 0 342.483 3.273 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001325316772 1387933247 /nfs/dbraw/zinc/93/32/47/1387933247.db2.gz UWQVYENKGTUBER-BBRMVZONSA-N 1 0 345.464 3.442 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001325339963 1387941135 /nfs/dbraw/zinc/94/11/35/1387941135.db2.gz MESQAUNSHDYMAJ-ZBFHGGJFSA-N 1 0 342.439 3.459 20 10 EGCDRO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203552657 1370167682 /nfs/dbraw/zinc/16/76/82/1370167682.db2.gz PODUDYNAHDHAMJ-GOSISDBHSA-N 1 0 336.435 3.031 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2O)CCC1(F)F ZINC001203560538 1370169991 /nfs/dbraw/zinc/16/99/91/1370169991.db2.gz BVSACSYSWAAHKF-AWEZNQCLSA-N 1 0 342.386 3.127 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1O ZINC001203609913 1370187086 /nfs/dbraw/zinc/18/70/86/1370187086.db2.gz OPWABMDBXDABLB-UHFFFAOYSA-N 1 0 339.439 3.059 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2cncc(Br)c2)c(O)c1 ZINC001203622145 1370190162 /nfs/dbraw/zinc/19/01/62/1370190162.db2.gz QNKFDLJTPKRZCX-UHFFFAOYSA-N 1 0 337.217 3.190 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)c(O)c1 ZINC001203627945 1370192937 /nfs/dbraw/zinc/19/29/37/1370192937.db2.gz SLXXBPUEIGLHCA-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)c(O)c1 ZINC001203630983 1370194070 /nfs/dbraw/zinc/19/40/70/1370194070.db2.gz YILRJHNXVXFDSC-QGZVFWFLSA-N 1 0 343.423 3.453 20 10 EGCDRO CCOC(=O)C1(C(C)C)CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203634631 1370195028 /nfs/dbraw/zinc/19/50/28/1370195028.db2.gz OMDBCQBVYSNYQS-UHFFFAOYSA-N 1 0 335.444 3.202 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)cc1 ZINC001203634500 1370195112 /nfs/dbraw/zinc/19/51/12/1370195112.db2.gz JGVMYFKGPBIQFC-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001203635015 1370195285 /nfs/dbraw/zinc/19/52/85/1370195285.db2.gz GDHYIIOTWUFIOJ-KRWDZBQOSA-N 1 0 328.412 3.148 20 10 EGCDRO CN(CC1C[NH+](Cc2cc(Cl)ccc2O)C1)C(=O)OC(C)(C)C ZINC001203651633 1370201530 /nfs/dbraw/zinc/20/15/30/1370201530.db2.gz RUNILJBAAWPXLT-UHFFFAOYSA-N 1 0 340.851 3.344 20 10 EGCDRO O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658786 1370205085 /nfs/dbraw/zinc/20/50/85/1370205085.db2.gz OSXOKUSMCBACLW-LJQANCHMSA-N 1 0 348.874 3.270 20 10 EGCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC001203665415 1370208337 /nfs/dbraw/zinc/20/83/37/1370208337.db2.gz JGKXYMJOQKLBSR-HNNXBMFYSA-N 1 0 334.803 3.103 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1c1ccccc1 ZINC001203665831 1370208567 /nfs/dbraw/zinc/20/85/67/1370208567.db2.gz XDBJUQUEDIZAQI-IAGOWNOFSA-N 1 0 345.826 3.434 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c1 ZINC001203680304 1370216429 /nfs/dbraw/zinc/21/64/29/1370216429.db2.gz NXBRLPOSWFCWEZ-CYBMUJFWSA-N 1 0 331.416 3.287 20 10 EGCDRO Oc1ccc(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)cc1O ZINC001203879963 1370297085 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EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1 ZINC001140620428 1378099516 /nfs/dbraw/zinc/09/95/16/1378099516.db2.gz NUPCPLHBHALWMH-JKSUJKDBSA-N 1 0 328.437 3.142 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1 ZINC001140620437 1378099547 /nfs/dbraw/zinc/09/95/47/1378099547.db2.gz OEBUWUJYLFXWIM-NVXWUHKLSA-N 1 0 343.496 3.254 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001140622254 1378100308 /nfs/dbraw/zinc/10/03/08/1378100308.db2.gz ZULXJTUSLOEKSK-IBGZPJMESA-N 1 0 342.464 3.391 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001140661954 1378109324 /nfs/dbraw/zinc/10/93/24/1378109324.db2.gz ZMIARWIRYOHKLN-HXUWFJFHSA-N 1 0 341.430 3.394 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001140661374 1378109360 /nfs/dbraw/zinc/10/93/60/1378109360.db2.gz CCNZFVDUDRBRKE-KRWDZBQOSA-N 1 0 341.430 3.047 20 10 EGCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140850775 1378158048 /nfs/dbraw/zinc/15/80/48/1378158048.db2.gz UFNIJYCTDASIHT-INIZCTEOSA-N 1 0 348.487 3.404 20 10 EGCDRO Cc1cc(C)c(C[N@H+]2CCCC3(CN(C(=O)NC(C)C)C3)C2)c(O)c1 ZINC001276365567 1378173685 /nfs/dbraw/zinc/17/36/85/1378173685.db2.gz QWZKZYZYYIQBLJ-UHFFFAOYSA-N 1 0 345.487 3.025 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001140948058 1378188114 /nfs/dbraw/zinc/18/81/14/1378188114.db2.gz RBVHZLYKGRZABJ-UHFFFAOYSA-N 1 0 332.444 3.286 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140948044 1378188293 /nfs/dbraw/zinc/18/82/93/1378188293.db2.gz QKMYNZZRMRRECG-HOTGVXAUSA-N 1 0 332.444 3.284 20 10 EGCDRO COc1cc(O)c(CN(C)Cc2cccc(OC)c2OC)c(OC)c1 ZINC001141030775 1378213093 /nfs/dbraw/zinc/21/30/93/1378213093.db2.gz KRUJPBSGQCSOFT-UHFFFAOYSA-N 1 0 347.411 3.059 20 10 EGCDRO COc1cc(O)c(C[N@H+](Cc2ccccc2)CC(C)(C)O)c(OC)c1 ZINC001141031001 1378214386 /nfs/dbraw/zinc/21/43/86/1378214386.db2.gz UYTVNTXSKMGYRA-UHFFFAOYSA-N 1 0 345.439 3.183 20 10 EGCDRO COc1cc(O)c(CN2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)c(OC)c1 ZINC001141033059 1378214443 /nfs/dbraw/zinc/21/44/43/1378214443.db2.gz XXMLMNPLCJDBIK-HNNXBMFYSA-N 1 0 348.487 3.248 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(O)cc(OC)cc1OC ZINC001141031016 1378214991 /nfs/dbraw/zinc/21/49/91/1378214991.db2.gz VNBSQGUHYCBVMG-UHFFFAOYSA-N 1 0 344.455 3.498 20 10 EGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076602 1378232489 /nfs/dbraw/zinc/23/24/89/1378232489.db2.gz WTFVUTOAQAVORT-OAQYLSRUSA-N 1 0 342.483 3.161 20 10 EGCDRO OC[C@]1(F)CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074604 1378233073 /nfs/dbraw/zinc/23/30/73/1378233073.db2.gz NUJKQLJJOQGPEC-FQEVSTJZSA-N 1 0 332.463 3.072 20 10 EGCDRO COC(=O)C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CCCC1 ZINC001141078250 1378234172 /nfs/dbraw/zinc/23/41/72/1378234172.db2.gz QLLGHXWFFFHEDT-UHFFFAOYSA-N 1 0 342.483 3.303 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@](CF)(C(F)(F)F)C3)ccc21 ZINC001141139796 1378247319 /nfs/dbraw/zinc/24/73/19/1378247319.db2.gz BOXZOBYCGUXCMX-OAHLLOKOSA-N 1 0 332.341 3.239 20 10 EGCDRO C[N@H+](Cc1cc(O)ccc1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001141162965 1378256097 /nfs/dbraw/zinc/25/60/97/1378256097.db2.gz MSKWRYITYNGQLX-SFHVURJKSA-N 1 0 326.440 3.194 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001142524994 1378453373 /nfs/dbraw/zinc/45/33/73/1378453373.db2.gz SJJSFYREOMUXHY-DNVCBOLYSA-N 1 0 344.405 3.377 20 10 EGCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143110802 1378542214 /nfs/dbraw/zinc/54/22/14/1378542214.db2.gz PQEVTMLDCYHCBG-HNNXBMFYSA-N 1 0 347.455 3.034 20 10 EGCDRO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)n1 ZINC001143117081 1378543122 /nfs/dbraw/zinc/54/31/22/1378543122.db2.gz RQNHLBDJGHPMQB-MRXNPFEDSA-N 1 0 341.455 3.441 20 10 EGCDRO Cc1ccc(Cl)cc1N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499815 1378738418 /nfs/dbraw/zinc/73/84/18/1378738418.db2.gz JXGRMZHAGGZHRS-UHFFFAOYSA-N 1 0 348.830 3.087 20 10 EGCDRO COc1cccc([C@@H]2CSCC[N@@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144516082 1378739936 /nfs/dbraw/zinc/73/99/36/1378739936.db2.gz OUDSKCIJSNHGCV-INIZCTEOSA-N 1 0 347.436 3.102 20 10 EGCDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)cc1 ZINC001144515727 1378739986 /nfs/dbraw/zinc/73/99/86/1378739986.db2.gz WJZLZWMVFCSENK-HNNXBMFYSA-N 1 0 343.423 3.267 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(Cl)c2)cc1C ZINC001148789388 1379267858 /nfs/dbraw/zinc/26/78/58/1379267858.db2.gz NWFKBOPRJBBUTD-UHFFFAOYSA-N 1 0 332.831 3.177 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C2CC(C(C)(C)C)C2)cc1C ZINC001153126007 1380025963 /nfs/dbraw/zinc/02/59/63/1380025963.db2.gz ABTHVOOTNRZSCE-UHFFFAOYSA-N 1 0 332.488 3.282 20 10 EGCDRO [NH3+][C@@H]1CCN(c2ccc(F)cc2Nc2ccc3c(c2)CCCN3)C1 ZINC001160055972 1381984568 /nfs/dbraw/zinc/98/45/68/1381984568.db2.gz KTRQNZJJKHKCBB-OAHLLOKOSA-N 1 0 326.419 3.465 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001163172490 1382983526 /nfs/dbraw/zinc/98/35/26/1382983526.db2.gz SSTLOWGFFUCSQZ-NSISKUIASA-N 1 0 325.456 3.131 20 10 EGCDRO C/C=C(/C)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001164009807 1383146335 /nfs/dbraw/zinc/14/63/35/1383146335.db2.gz TYOABTFSAZDHOA-WCSRMQSCSA-N 1 0 330.472 3.346 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C3(C)CC3)CC2)cc1C ZINC001164600157 1383205205 /nfs/dbraw/zinc/20/52/05/1383205205.db2.gz KMIVEGNFRGQDPI-UHFFFAOYSA-N 1 0 330.472 3.180 20 10 EGCDRO CCc1ccccc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001165353703 1383280842 /nfs/dbraw/zinc/28/08/42/1383280842.db2.gz UKHWIWLZKCELIN-UHFFFAOYSA-N 1 0 340.467 3.476 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@]2(C)CCC[C@H]2C)cc1C ZINC001166054464 1383383596 /nfs/dbraw/zinc/38/35/96/1383383596.db2.gz RRHBAGXWRLZYHZ-UZLBHIALSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](F)c2ccccc2)cc1C ZINC001167377020 1383615046 /nfs/dbraw/zinc/61/50/46/1383615046.db2.gz OUEUOXVKGVTKQA-IBGZPJMESA-N 1 0 344.430 3.310 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171805741 1384644205 /nfs/dbraw/zinc/64/42/05/1384644205.db2.gz PXWFLVRNGGBYJI-IBGZPJMESA-N 1 0 340.442 3.262 20 10 EGCDRO CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001172758015 1384844904 /nfs/dbraw/zinc/84/49/04/1384844904.db2.gz DNRAJOJQFBSIRL-NSHDSACASA-N 1 0 344.249 3.365 20 10 EGCDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001172953155 1384889071 /nfs/dbraw/zinc/88/90/71/1384889071.db2.gz JGCOBARSYFXZDD-CQSZACIVSA-N 1 0 334.460 3.357 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC001318371798 1385657651 /nfs/dbraw/zinc/65/76/51/1385657651.db2.gz MNTKAVAMYSWPGP-HNNXBMFYSA-N 1 0 345.874 3.429 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC3CCC2CC3)cc1C ZINC001177077281 1385797815 /nfs/dbraw/zinc/79/78/15/1385797815.db2.gz AOOAIUSYBQHXAQ-KVZIAJEVSA-N 1 0 344.499 3.426 20 10 EGCDRO C[C@H]1CC([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H](C)C1 ZINC001318652742 1385817087 /nfs/dbraw/zinc/81/70/87/1385817087.db2.gz XSMKZYUWGICTBS-HZPDHXFCSA-N 1 0 333.495 3.492 20 10 EGCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccco4)C3)cc2F)CC1 ZINC001319706734 1386261170 /nfs/dbraw/zinc/26/11/70/1386261170.db2.gz ASFLOCZYZGSBRX-KRWDZBQOSA-N 1 0 343.446 3.160 20 10 EGCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)cc2F)CC1 ZINC001319925143 1386394638 /nfs/dbraw/zinc/39/46/38/1386394638.db2.gz CILDZLMQKBWUAM-FQEVSTJZSA-N 1 0 342.462 3.243 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC001321023483 1386786323 /nfs/dbraw/zinc/78/63/23/1386786323.db2.gz NGRSYVMBHFTWCU-IKGGRYGDSA-N 1 0 332.488 3.195 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC001321023547 1386786622 /nfs/dbraw/zinc/78/66/22/1386786622.db2.gz NNCHVNDPARTHMN-HOCLYGCPSA-N 1 0 342.439 3.459 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)ccc1O ZINC001321027029 1386787251 /nfs/dbraw/zinc/78/72/51/1386787251.db2.gz ICAHJKPINALYLD-WMLDXEAASA-N 1 0 342.414 3.487 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1Cc3ccccc3C3(CCC3)C1)[C@H](O)CO2 ZINC001322053481 1387040474 /nfs/dbraw/zinc/04/04/74/1387040474.db2.gz ZUZBIXJEPYFNPO-LJQANCHMSA-N 1 0 337.419 3.256 20 10 EGCDRO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336118209 1389018080 /nfs/dbraw/zinc/01/80/80/1389018080.db2.gz GGTQADSVNZMHFH-INIZCTEOSA-N 1 0 339.439 3.128 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cc2F)CC1 ZINC001337380916 1389325848 /nfs/dbraw/zinc/32/58/48/1389325848.db2.gz LOOPTLGXNSASDI-SFHVURJKSA-N 1 0 349.494 3.013 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1O ZINC001331550359 1389796473 /nfs/dbraw/zinc/79/64/73/1389796473.db2.gz YUVVMNPGWAALRD-UHFFFAOYSA-N 1 0 325.408 3.462 20 10 EGCDRO Nc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC001335287852 1390666591 /nfs/dbraw/zinc/66/65/91/1390666591.db2.gz CJVJPBGJPMKPFE-HNNXBMFYSA-N 1 0 328.378 3.450 20 10 EGCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC001347669056 1391108958 /nfs/dbraw/zinc/10/89/58/1391108958.db2.gz QHKXBXLYVXAIGE-LDQXTDLNSA-N 1 0 341.451 3.196 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1F ZINC001351327552 1391627494 /nfs/dbraw/zinc/62/74/94/1391627494.db2.gz BRIRCHCSNPSCEU-LJQANCHMSA-N 1 0 334.410 3.418 20 10 EGCDRO CC[C@H](CNC(=O)[C@@H]1CC=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753467661 1440413242 /nfs/dbraw/zinc/41/32/42/1440413242.db2.gz WQBJETTULFAZGX-QZTJIDSGSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001753715807 1440471955 /nfs/dbraw/zinc/47/19/55/1440471955.db2.gz FFJYPAOVMRELJR-AYOQOUSVSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)c3ccco3)C2)cc1C ZINC001754686981 1440665292 /nfs/dbraw/zinc/66/52/92/1440665292.db2.gz HHYWZWWKVWZPKN-FQEVSTJZSA-N 1 0 342.439 3.239 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2ccoc2)cc1C ZINC001755229691 1440786761 /nfs/dbraw/zinc/78/67/61/1440786761.db2.gz DSQOYGZQQZXMBB-JKSUJKDBSA-N 1 0 344.455 3.212 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)c2ccoc2)cc1C ZINC001755558410 1440874004 /nfs/dbraw/zinc/87/40/04/1440874004.db2.gz XXNNELWDJAMHDZ-GOSISDBHSA-N 1 0 342.439 3.237 20 10 EGCDRO CCCC[NH2+][C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC001755766467 1440916336 /nfs/dbraw/zinc/91/63/36/1440916336.db2.gz KRXWCMHGTXNCCC-HNNXBMFYSA-N 1 0 345.447 3.089 20 10 EGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001328703577 1126174247 /nfs/dbraw/zinc/17/42/47/1126174247.db2.gz OHGUZLBUNNTVRP-INIZCTEOSA-N 1 0 334.410 3.032 20 10 EGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001328703578 1126174356 /nfs/dbraw/zinc/17/43/56/1126174356.db2.gz OHGUZLBUNNTVRP-MRXNPFEDSA-N 1 0 334.410 3.032 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000180678126 455225701 /nfs/dbraw/zinc/22/57/01/455225701.db2.gz IRCIAPVUXMBRCI-ZAMGYDSWSA-N 1 0 333.453 3.331 20 10 EGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1C ZINC000053946268 453901445 /nfs/dbraw/zinc/90/14/45/453901445.db2.gz RYPZAJFKBNKOAA-UHFFFAOYSA-N 1 0 338.451 3.398 20 10 EGCDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000054521135 453933710 /nfs/dbraw/zinc/93/37/10/453933710.db2.gz CPGFWRFFEZOAGG-KRWDZBQOSA-N 1 0 338.451 3.284 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1C ZINC000054571499 453935228 /nfs/dbraw/zinc/93/52/28/453935228.db2.gz NNUOPEMMICFGGK-UHFFFAOYSA-N 1 0 344.480 3.419 20 10 EGCDRO CC[N@H+](Cc1cc(C)no1)Cc1cc(Br)ccc1O ZINC000076118579 453966670 /nfs/dbraw/zinc/96/66/70/453966670.db2.gz JCWBXNGOBWYWEW-UHFFFAOYSA-N 1 0 325.206 3.473 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@H](O)c1c(F)cccc1F ZINC000266295858 455426067 /nfs/dbraw/zinc/42/60/67/455426067.db2.gz LDTCAXSAGSNLQW-KDOFPFPSSA-N 1 0 337.366 3.281 20 10 EGCDRO CCn1nc(C)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC000160181790 455434767 /nfs/dbraw/zinc/43/47/67/455434767.db2.gz WXHGEUCUARMBLZ-GOSISDBHSA-N 1 0 343.471 3.407 20 10 EGCDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000133792667 454468429 /nfs/dbraw/zinc/46/84/29/454468429.db2.gz PMMOUVYIRIDENX-HNNXBMFYSA-N 1 0 335.467 3.381 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000122457493 454534901 /nfs/dbraw/zinc/53/49/01/454534901.db2.gz IFNDGVHDXKFRHI-ZLOXQWCVSA-N 1 0 334.460 3.480 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)cc1C ZINC000093413284 454713721 /nfs/dbraw/zinc/71/37/21/454713721.db2.gz XLALZZBPLUAWPY-QGZVFWFLSA-N 1 0 325.456 3.283 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000111233004 454858907 /nfs/dbraw/zinc/85/89/07/454858907.db2.gz KPSRRIBWILTMJS-AZUAARDMSA-N 1 0 327.424 3.107 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCCCn3ccnc3C)CC2)cc1 ZINC000164641852 454886478 /nfs/dbraw/zinc/88/64/78/454886478.db2.gz URUFWGYPAYUGNN-UHFFFAOYSA-N 1 0 342.487 3.239 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1)C1CCCCC1 ZINC000166469743 454911876 /nfs/dbraw/zinc/91/18/76/454911876.db2.gz NBWUIDXVEFVRTI-SJORKVTESA-N 1 0 329.488 3.199 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000177875261 454915119 /nfs/dbraw/zinc/91/51/19/454915119.db2.gz KAFNXQGTSJGUDV-VQIMIIECSA-N 1 0 329.488 3.386 20 10 EGCDRO CCn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000113359167 454924221 /nfs/dbraw/zinc/92/42/21/454924221.db2.gz CIMBOHUTKWHPNK-KRWDZBQOSA-N 1 0 348.878 3.016 20 10 EGCDRO Nc1ccc(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000168780737 454927718 /nfs/dbraw/zinc/92/77/18/454927718.db2.gz BKWGENJYVZJOCW-SEJPIABJSA-N 1 0 349.478 3.123 20 10 EGCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000179021226 454999958 /nfs/dbraw/zinc/99/99/58/454999958.db2.gz ZGENJBFGRVSIMM-QGZVFWFLSA-N 1 0 325.456 3.084 20 10 EGCDRO O=C(CCCc1ccccc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179566619 455059047 /nfs/dbraw/zinc/05/90/47/455059047.db2.gz CTVRCAFZNJWKRO-UHFFFAOYSA-N 1 0 338.451 3.059 20 10 EGCDRO CN(CC1CC[NH+](Cc2ccccc2O)CC1)C(=O)OC(C)(C)C ZINC000179570540 455059851 /nfs/dbraw/zinc/05/98/51/455059851.db2.gz IHELJJCGBYXEDC-UHFFFAOYSA-N 1 0 334.460 3.471 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000179652202 455064411 /nfs/dbraw/zinc/06/44/11/455064411.db2.gz RFBJSVHNVWTEHU-UHFFFAOYSA-N 1 0 325.408 3.496 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC000179826248 455085967 /nfs/dbraw/zinc/08/59/67/455085967.db2.gz YTCMCRWNMXCLEY-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCCO1 ZINC000179882159 455092883 /nfs/dbraw/zinc/09/28/83/455092883.db2.gz PXQAXVJOARUBHB-QGZVFWFLSA-N 1 0 331.387 3.418 20 10 EGCDRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179892483 455095409 /nfs/dbraw/zinc/09/54/09/455095409.db2.gz WIBXIOWGSHDVLX-UHFFFAOYSA-N 1 0 341.386 3.011 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000156410783 455115320 /nfs/dbraw/zinc/11/53/20/455115320.db2.gz YOMDWZGYCQUYJM-HOCLYGCPSA-N 1 0 343.446 3.433 20 10 EGCDRO CCOC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000189344933 455180755 /nfs/dbraw/zinc/18/07/55/455180755.db2.gz NCZUONPJVJNJBX-MAUKXSAKSA-N 1 0 338.467 3.374 20 10 EGCDRO Cc1cccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)c1 ZINC000183415539 455290533 /nfs/dbraw/zinc/29/05/33/455290533.db2.gz YBAVKOZXEXPCDB-PXNSSMCTSA-N 1 0 340.467 3.425 20 10 EGCDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265001189 455298296 /nfs/dbraw/zinc/29/82/96/455298296.db2.gz ZVOPVZVXCYZFEE-UHFFFAOYSA-N 1 0 347.480 3.362 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000190792919 455383355 /nfs/dbraw/zinc/38/33/55/455383355.db2.gz MTMGBHJYCACHRC-UHFFFAOYSA-N 1 0 349.837 3.334 20 10 EGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000174508835 455398608 /nfs/dbraw/zinc/39/86/08/455398608.db2.gz OHUHNKCBPGWPSL-OALUTQOASA-N 1 0 348.462 3.100 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246484582 455498656 /nfs/dbraw/zinc/49/86/56/455498656.db2.gz GTXZDLWDMPPADA-NQIIRXRSSA-N 1 0 341.451 3.279 20 10 EGCDRO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000191662401 455508671 /nfs/dbraw/zinc/50/86/71/455508671.db2.gz HQFYCQOCHQEKSK-HXUWFJFHSA-N 1 0 338.451 3.396 20 10 EGCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(C)c(C)cc3O)C2=O)cc1 ZINC000191808533 455521980 /nfs/dbraw/zinc/52/19/80/455521980.db2.gz HAGITCFCEDHZCC-IBGZPJMESA-N 1 0 338.451 3.208 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Br)ccc1O ZINC000185217748 455523429 /nfs/dbraw/zinc/52/34/29/455523429.db2.gz KVEDKCITGPOJQX-ZJUUUORDSA-N 1 0 343.265 3.109 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(Br)cc1O ZINC000185218122 455523531 /nfs/dbraw/zinc/52/35/31/455523531.db2.gz SFXWQTGOLXDEGN-ZJUUUORDSA-N 1 0 343.265 3.109 20 10 EGCDRO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Br)cc1O ZINC000185475791 455563193 /nfs/dbraw/zinc/56/31/93/455563193.db2.gz SXAJDTYYMFHAEJ-GIGQVBGESA-N 1 0 348.306 3.353 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000283932812 455613497 /nfs/dbraw/zinc/61/34/97/455613497.db2.gz JFOOCPSMVYYHLG-ZDUSSCGKSA-N 1 0 349.452 3.045 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c(O)c1 ZINC000283964941 455616514 /nfs/dbraw/zinc/61/65/14/455616514.db2.gz GIGSKRABXZMMEA-HNNXBMFYSA-N 1 0 328.460 3.220 20 10 EGCDRO CC[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271432548 455634674 /nfs/dbraw/zinc/63/46/74/455634674.db2.gz BDVOGCHYZCCKTA-JBACZVJFSA-N 1 0 342.483 3.278 20 10 EGCDRO CC[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271432550 455634858 /nfs/dbraw/zinc/63/48/58/455634858.db2.gz BDVOGCHYZCCKTA-SESVDKBCSA-N 1 0 342.483 3.278 20 10 EGCDRO C[C@@H]([NH2+]CCCc1nccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271435628 455635799 /nfs/dbraw/zinc/63/57/99/455635799.db2.gz CRVALHHNKGUUHK-CQSZACIVSA-N 1 0 349.475 3.402 20 10 EGCDRO Cc1noc(C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000277723175 455645959 /nfs/dbraw/zinc/64/59/59/455645959.db2.gz TXDXDNZFCOIOAL-GOSISDBHSA-N 1 0 335.407 3.387 20 10 EGCDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2)ncn1 ZINC000186023716 455677846 /nfs/dbraw/zinc/67/78/46/455677846.db2.gz OYWVAWXEQKZIFF-RDJZCZTQSA-N 1 0 340.471 3.373 20 10 EGCDRO COc1coc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1=O ZINC000268438093 455683579 /nfs/dbraw/zinc/68/35/79/455683579.db2.gz FRPJZYWHFXIAML-UHFFFAOYSA-N 1 0 330.428 3.125 20 10 EGCDRO C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1cc(F)ccc1O ZINC000186061401 455686316 /nfs/dbraw/zinc/68/63/16/455686316.db2.gz SXIYXGBRUQPQDD-LLVKDONJSA-N 1 0 331.366 3.450 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1O ZINC000284592229 455710869 /nfs/dbraw/zinc/71/08/69/455710869.db2.gz KEWWJWOOCCXZJY-WMLDXEAASA-N 1 0 334.803 3.069 20 10 EGCDRO C[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268838084 455715455 /nfs/dbraw/zinc/71/54/55/455715455.db2.gz YTJPPUVZDUVQQX-HNNXBMFYSA-N 1 0 344.430 3.261 20 10 EGCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cc(Br)ccc1O ZINC000248500064 455717822 /nfs/dbraw/zinc/71/78/22/455717822.db2.gz NBSQGBKEOAUEIL-UDTVLSCZSA-N 1 0 348.240 3.464 20 10 EGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268911110 455727912 /nfs/dbraw/zinc/72/79/12/455727912.db2.gz NDADQYCRIVMFDJ-XOBRGWDASA-N 1 0 344.455 3.154 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1O ZINC000271721123 455733899 /nfs/dbraw/zinc/73/38/99/455733899.db2.gz JWNZAEPYKPHFFT-UHFFFAOYSA-N 1 0 340.423 3.257 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@H+](CCCO)Cc2ccccc2)c1O ZINC000268964474 455746962 /nfs/dbraw/zinc/74/69/62/455746962.db2.gz JOUDKRVDPSJDIM-UHFFFAOYSA-N 1 0 331.387 3.119 20 10 EGCDRO CS(=O)(=O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293710421 455794890 /nfs/dbraw/zinc/79/48/90/455794890.db2.gz LWBRDSVFQWGGNS-SFHVURJKSA-N 1 0 347.480 3.090 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271944542 455801000 /nfs/dbraw/zinc/80/10/00/455801000.db2.gz WJTOJJPXUXESHN-YZVOILCLSA-N 1 0 336.451 3.271 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000252442979 455804372 /nfs/dbraw/zinc/80/43/72/455804372.db2.gz KPSRRIBWILTMJS-UYAOXDASSA-N 1 0 327.424 3.107 20 10 EGCDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000294394395 455813497 /nfs/dbraw/zinc/81/34/97/455813497.db2.gz CDLSTXUKOFYUOQ-PXNSSMCTSA-N 1 0 342.487 3.031 20 10 EGCDRO CCn1nc(C)c(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000294603319 455821977 /nfs/dbraw/zinc/82/19/77/455821977.db2.gz USGZFDHDYAZLKG-UHFFFAOYSA-N 1 0 327.476 3.229 20 10 EGCDRO C[C@@H](c1ccccc1)[N@H+](CCC(=O)N(C)C)Cc1ccccc1O ZINC000272063606 455836211 /nfs/dbraw/zinc/83/62/11/455836211.db2.gz SNYCCIMILXUIIK-INIZCTEOSA-N 1 0 326.440 3.434 20 10 EGCDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000186859670 455843844 /nfs/dbraw/zinc/84/38/44/455843844.db2.gz OPAHAGODWUHLHB-CQSZACIVSA-N 1 0 339.501 3.137 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@@H](CCO)c3ccco3)cc2)CC1 ZINC000295628935 455855822 /nfs/dbraw/zinc/85/58/22/455855822.db2.gz AZYWQXRWQBTDSD-IBGZPJMESA-N 1 0 344.455 3.108 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000279086305 455858278 /nfs/dbraw/zinc/85/82/78/455858278.db2.gz SPBBVIKTVQRKMK-INIZCTEOSA-N 1 0 325.767 3.017 20 10 EGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1(C)C ZINC000296014399 455866289 /nfs/dbraw/zinc/86/62/89/455866289.db2.gz MTCRWLBIPAZNAI-OAHLLOKOSA-N 1 0 325.836 3.495 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(Br)cn2)c1O ZINC000279665257 455870250 /nfs/dbraw/zinc/87/02/50/455870250.db2.gz GVFVTEWYJBRAMM-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000285580851 455875106 /nfs/dbraw/zinc/87/51/06/455875106.db2.gz INGQZZPMGUYFIS-OAHLLOKOSA-N 1 0 329.419 3.217 20 10 EGCDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272267582 455896922 /nfs/dbraw/zinc/89/69/22/455896922.db2.gz KYFHNAUNQTVVKF-UHFFFAOYSA-N 1 0 344.386 3.088 20 10 EGCDRO CCCN(Cc1nccn1CC(F)(F)F)c1ccc(C[NH3+])cc1 ZINC000194980178 455909368 /nfs/dbraw/zinc/90/93/68/455909368.db2.gz GVKXYOSHMWCQIO-UHFFFAOYSA-N 1 0 326.366 3.321 20 10 EGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1Oc1ccccc1 ZINC000187638288 455932625 /nfs/dbraw/zinc/93/26/25/455932625.db2.gz SLCKYBXWOYZTLI-QRFRQXIXSA-N 1 0 343.423 3.115 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)CC2 ZINC000296435972 455938145 /nfs/dbraw/zinc/93/81/45/455938145.db2.gz MIDNKVCHWCHYBJ-AWEZNQCLSA-N 1 0 328.378 3.243 20 10 EGCDRO CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(C)cc1O ZINC000280291902 455938525 /nfs/dbraw/zinc/93/85/25/455938525.db2.gz ZHERKLWCAXTVCE-INIZCTEOSA-N 1 0 328.460 3.302 20 10 EGCDRO COCCC1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CCCCC1 ZINC000187697637 455940722 /nfs/dbraw/zinc/94/07/22/455940722.db2.gz RHECHUPWNWROBY-UHFFFAOYSA-N 1 0 337.460 3.486 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CCc4cccc(O)c43)n2)c1 ZINC000296447215 455941046 /nfs/dbraw/zinc/94/10/46/455941046.db2.gz MZPZJXSHNLAPFF-GXTWGEPZSA-N 1 0 335.411 3.219 20 10 EGCDRO Cc1cnccc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296512349 455959494 /nfs/dbraw/zinc/95/94/94/455959494.db2.gz RPHDKQNYSVFVQQ-IYBDPMFKSA-N 1 0 343.446 3.433 20 10 EGCDRO COCCOCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296508789 455959585 /nfs/dbraw/zinc/95/95/85/455959585.db2.gz RLJFDPIIMAUNTM-UHFFFAOYSA-N 1 0 334.485 3.137 20 10 EGCDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000296576765 455977713 /nfs/dbraw/zinc/97/77/13/455977713.db2.gz VPXJDVPSWFBMJV-QZTJIDSGSA-N 1 0 336.435 3.079 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000272726739 456053575 /nfs/dbraw/zinc/05/35/75/456053575.db2.gz GJUZLNBZLHPGCR-UHFFFAOYSA-N 1 0 330.394 3.422 20 10 EGCDRO CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287581164 456072039 /nfs/dbraw/zinc/07/20/39/456072039.db2.gz HLAVBVCEOGWIBS-KRWDZBQOSA-N 1 0 339.911 3.112 20 10 EGCDRO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287584191 456072683 /nfs/dbraw/zinc/07/26/83/456072683.db2.gz HQLTZHGYSCLIMG-BBRMVZONSA-N 1 0 328.884 3.443 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000262984485 456074837 /nfs/dbraw/zinc/07/48/37/456074837.db2.gz ZCBFHFUBMQYRLC-MLGOLLRUSA-N 1 0 329.419 3.104 20 10 EGCDRO CC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271012018 456097682 /nfs/dbraw/zinc/09/76/82/456097682.db2.gz PNAVCEJOJRMUEL-SFHVURJKSA-N 1 0 345.464 3.068 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC000297211855 456151385 /nfs/dbraw/zinc/15/13/85/456151385.db2.gz GRWFOUOWBPKYIR-UTXMOHQDSA-N 1 0 332.444 3.217 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297252517 456163335 /nfs/dbraw/zinc/16/33/35/456163335.db2.gz JKMWXVGFBBDQDN-QZTJIDSGSA-N 1 0 326.440 3.281 20 10 EGCDRO COc1cc(O)c(C[NH2+]C(C)(C)COCc2ccccc2)cc1OC ZINC000281211454 456166110 /nfs/dbraw/zinc/16/61/10/456166110.db2.gz JUJRHEIYXGGDOL-UHFFFAOYSA-N 1 0 345.439 3.494 20 10 EGCDRO C[C@@]1([NH2+]Cc2cc(Br)ccc2O)CCO[C@@H]1C1CC1 ZINC000273082566 456172546 /nfs/dbraw/zinc/17/25/46/456172546.db2.gz JHBJFBPYMJEDOZ-HUUCEWRRSA-N 1 0 326.234 3.202 20 10 EGCDRO COC[C@@]1(C[NH2+][C@H](C)c2ccccc2O)OCCc2ccccc21 ZINC000289980470 456204363 /nfs/dbraw/zinc/20/43/63/456204363.db2.gz XWFASEVMLPUDCV-FOIQADDNSA-N 1 0 327.424 3.157 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297425174 456218111 /nfs/dbraw/zinc/21/81/11/456218111.db2.gz HQVHFUJSEQPPQE-AYHJJNSGSA-N 1 0 345.487 3.329 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c(O)c1C ZINC000273296425 456222694 /nfs/dbraw/zinc/22/26/94/456222694.db2.gz ACGSJUFNQOZVLK-MRXNPFEDSA-N 1 0 326.440 3.318 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c(O)c1C ZINC000273407686 456228501 /nfs/dbraw/zinc/22/85/01/456228501.db2.gz OYRQROFLCVTGOE-HNNXBMFYSA-N 1 0 347.480 3.404 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)c(O)c1C ZINC000273450757 456231927 /nfs/dbraw/zinc/23/19/27/456231927.db2.gz GAFPOANBFNXQCU-MRXNPFEDSA-N 1 0 326.440 3.019 20 10 EGCDRO C[C@@H]([NH2+]CCNc1ccccn1)c1cc(Br)ccc1O ZINC000273607420 456240700 /nfs/dbraw/zinc/24/07/00/456240700.db2.gz UQKPJSBFQXFGGB-LLVKDONJSA-N 1 0 336.233 3.312 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273624096 456242704 /nfs/dbraw/zinc/24/27/04/456242704.db2.gz ZVGCAPMNSIIUPA-OLZOCXBDSA-N 1 0 340.423 3.332 20 10 EGCDRO C[N@H+](CCCC1CCOCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000274236090 456252548 /nfs/dbraw/zinc/25/25/48/456252548.db2.gz UOKQFYFQTRLQCT-UHFFFAOYSA-N 1 0 332.488 3.162 20 10 EGCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274930527 456267068 /nfs/dbraw/zinc/26/70/68/456267068.db2.gz ODRDOTPOZYGDGM-UHFFFAOYSA-N 1 0 346.862 3.353 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000275320129 456272821 /nfs/dbraw/zinc/27/28/21/456272821.db2.gz KUVUTAGUKAUCKK-GMSGAONNSA-N 1 0 342.155 3.037 20 10 EGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000282134544 456421053 /nfs/dbraw/zinc/42/10/53/456421053.db2.gz KFXLTYBTLYZRRU-PZJWPPBQSA-N 1 0 346.515 3.190 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000282374548 456494063 /nfs/dbraw/zinc/49/40/63/456494063.db2.gz WYSAHZIIXOAWCG-UHFFFAOYSA-N 1 0 333.457 3.006 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)c3ccsc3)CC2)cc1 ZINC000305116986 456527178 /nfs/dbraw/zinc/52/71/78/456527178.db2.gz FUZKBZZLOFDWKG-LJQANCHMSA-N 1 0 346.496 3.223 20 10 EGCDRO CCCC[N@H+](CCC(=O)Nc1cc(C)on1)Cc1ccccc1O ZINC000282531781 456544124 /nfs/dbraw/zinc/54/41/24/456544124.db2.gz VELFBRCCBXBZDB-UHFFFAOYSA-N 1 0 331.416 3.320 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@@]2(C)OCCc3sccc32)cc1OC ZINC000291506127 456664212 /nfs/dbraw/zinc/66/42/12/456664212.db2.gz HTXAIMIHFCYSES-GOSISDBHSA-N 1 0 349.452 3.049 20 10 EGCDRO CC[C@@]1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[NH2+]C1 ZINC000325109280 456679114 /nfs/dbraw/zinc/67/91/14/456679114.db2.gz ZADDFWZWZZSULP-HXUWFJFHSA-N 1 0 329.488 3.025 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(N(C)C)cc1 ZINC000277160539 456701938 /nfs/dbraw/zinc/70/19/38/456701938.db2.gz QXVAYEDFBLAULH-IBGZPJMESA-N 1 0 339.487 3.252 20 10 EGCDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1O ZINC000299468872 456702189 /nfs/dbraw/zinc/70/21/89/456702189.db2.gz CGZRSKXGVBRTJX-UHFFFAOYSA-N 1 0 341.455 3.232 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000283542621 456799874 /nfs/dbraw/zinc/79/98/74/456799874.db2.gz DGRFGQHKHIYMKN-UHFFFAOYSA-N 1 0 347.503 3.436 20 10 EGCDRO O=C1OCCC12CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000359876804 457136681 /nfs/dbraw/zinc/13/66/81/457136681.db2.gz OZHDDALAVQFVPH-UHFFFAOYSA-N 1 0 328.456 3.206 20 10 EGCDRO C=Cn1cc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000373897085 457390247 /nfs/dbraw/zinc/39/02/47/457390247.db2.gz IZXZREUJCBCDHQ-UHFFFAOYSA-N 1 0 348.397 3.344 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3ccncc3)CC2)cc1 ZINC000364052513 457476097 /nfs/dbraw/zinc/47/60/97/457476097.db2.gz DKHCQSLFHMKYMJ-UHFFFAOYSA-N 1 0 333.382 3.442 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000357470818 457549984 /nfs/dbraw/zinc/54/99/84/457549984.db2.gz JGGFJCVSBBZKAC-MRXNPFEDSA-N 1 0 327.472 3.367 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)COCC(F)(F)F)CC2)cc1 ZINC000370652682 457692217 /nfs/dbraw/zinc/69/22/17/457692217.db2.gz HZILBCNHBWOOER-CYBMUJFWSA-N 1 0 346.393 3.221 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCOC1 ZINC000366298881 457805627 /nfs/dbraw/zinc/80/56/27/457805627.db2.gz KTGQJETXSJXBEF-ZQIUZPCESA-N 1 0 338.879 3.025 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000367690767 457971587 /nfs/dbraw/zinc/97/15/87/457971587.db2.gz ZJXCDNUJDYRIPJ-PMACEKPBSA-N 1 0 344.499 3.162 20 10 EGCDRO CC(C)c1cccc(N(C)C(=O)c2cn[nH]c2[C@@H]2CCC[NH2+]C2)c1 ZINC000423080053 458429916 /nfs/dbraw/zinc/42/99/16/458429916.db2.gz BFGKDIBSSOPNTK-OAHLLOKOSA-N 1 0 326.444 3.277 20 10 EGCDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000471802528 458733331 /nfs/dbraw/zinc/73/33/31/458733331.db2.gz BSVIUOMZEQUIDM-MRXNPFEDSA-N 1 0 342.487 3.018 20 10 EGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C[NH3+])CC(C)C)ccc21 ZINC000568525646 459304120 /nfs/dbraw/zinc/30/41/20/459304120.db2.gz WINMGCMGKVWAQV-KRWDZBQOSA-N 1 0 345.487 3.008 20 10 EGCDRO Cc1ccc(/C=C/C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)cn1 ZINC000492522463 459709097 /nfs/dbraw/zinc/70/90/97/459709097.db2.gz UFZCCXPZZUSVGI-BQYQJAHWSA-N 1 0 336.370 3.499 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)c1O ZINC000527842080 459755995 /nfs/dbraw/zinc/75/59/95/459755995.db2.gz UZWGAYIWGOHPNP-SFHVURJKSA-N 1 0 328.412 3.435 20 10 EGCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccc(OC)c(OC)c1 ZINC000662498544 461270004 /nfs/dbraw/zinc/27/00/04/461270004.db2.gz UDZLBMFGGUWKCM-UHFFFAOYSA-N 1 0 340.423 3.016 20 10 EGCDRO COc1ccc(N(CC2CC2)C(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000638850244 461617554 /nfs/dbraw/zinc/61/75/54/461617554.db2.gz IGTZEPWAFGLXJK-UHFFFAOYSA-N 1 0 336.435 3.398 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(C)n1-c1ccccn1 ZINC000728604990 574761341 /nfs/dbraw/zinc/76/13/41/574761341.db2.gz NASGIAXCIRSRPZ-QGZVFWFLSA-N 1 0 340.471 3.092 20 10 EGCDRO Cc1ccc2nc(C[NH2+]Cc3cc(Br)ccc3O)cn2c1 ZINC000729681022 574878322 /nfs/dbraw/zinc/87/83/22/574878322.db2.gz OSEANEOONRKNRY-UHFFFAOYSA-N 1 0 346.228 3.401 20 10 EGCDRO COC1CCN(C2(C[NH2+]Cc3ccc(N(C)C)cc3)CCCC2)CC1 ZINC000730817448 575024245 /nfs/dbraw/zinc/02/42/45/575024245.db2.gz NHCVRKZFLZHSID-UHFFFAOYSA-N 1 0 345.531 3.266 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731020309 575045099 /nfs/dbraw/zinc/04/50/99/575045099.db2.gz QSPSEDIEVXEATO-MRXNPFEDSA-N 1 0 343.496 3.370 20 10 EGCDRO CCOc1cccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1O ZINC000731041782 575046382 /nfs/dbraw/zinc/04/63/82/575046382.db2.gz VXMYPSAZFDLXAA-UHFFFAOYSA-N 1 0 328.412 3.298 20 10 EGCDRO C[N@H+](CC(=O)NCCCSc1ccccc1)Cc1ccccc1O ZINC000731843718 575211927 /nfs/dbraw/zinc/21/19/27/575211927.db2.gz TWYOEILGDBUJJG-UHFFFAOYSA-N 1 0 344.480 3.123 20 10 EGCDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732231393 575247478 /nfs/dbraw/zinc/24/74/78/575247478.db2.gz SQUNTLWQGJBBED-LJQANCHMSA-N 1 0 349.475 3.472 20 10 EGCDRO CC[N@H+](C)[C@@H](C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000733972781 575419651 /nfs/dbraw/zinc/41/96/51/575419651.db2.gz LRBMBXYZYFHCJX-OAHLLOKOSA-N 1 0 349.525 3.435 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000734402473 575480035 /nfs/dbraw/zinc/48/00/35/575480035.db2.gz IZRFOUDSLSIPRG-UHFFFAOYSA-N 1 0 343.471 3.426 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2nc3cc(F)ccc3n2C)c(O)c1 ZINC000736358008 575944100 /nfs/dbraw/zinc/94/41/00/575944100.db2.gz PAJCHRVLNFXGGU-UHFFFAOYSA-N 1 0 329.375 3.107 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@@H]3C3OCCO3)c2c1 ZINC000740759082 576623865 /nfs/dbraw/zinc/62/38/65/576623865.db2.gz ROSNVUYALFUIQN-GOSISDBHSA-N 1 0 343.423 3.281 20 10 EGCDRO CC(C)[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccc(N(C)C)cc1 ZINC000743261581 576804612 /nfs/dbraw/zinc/80/46/12/576804612.db2.gz GMXCPHPIAVSALR-QGZVFWFLSA-N 1 0 331.504 3.364 20 10 EGCDRO CC[N@H+](Cc1cnc(C)cn1)Cc1cc(Br)ccc1O ZINC000743871228 576818065 /nfs/dbraw/zinc/81/80/65/576818065.db2.gz XNPVJPUYPKIEFB-UHFFFAOYSA-N 1 0 336.233 3.275 20 10 EGCDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000745438208 576847973 /nfs/dbraw/zinc/84/79/73/576847973.db2.gz SQHKXAZUOSAHKF-OAHLLOKOSA-N 1 0 343.423 3.472 20 10 EGCDRO Cc1cnc(CC[NH2+]Cc2ccc(Br)cc2O)c(C)c1 ZINC000691431880 1298133590 /nfs/dbraw/zinc/13/35/90/1298133590.db2.gz XJWXLOQNMOOXHF-UHFFFAOYSA-N 1 0 335.245 3.499 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c(O)c1 ZINC000877572304 1299407755 /nfs/dbraw/zinc/40/77/55/1299407755.db2.gz OMZRIUAQWUKOFO-NJAFHUGGSA-N 1 0 329.444 3.184 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CS[C@@H](C)C2)c1O ZINC000840957729 1321186160 /nfs/dbraw/zinc/18/61/60/1321186160.db2.gz DGNFJBUHCPYQRE-GZMMTYOYSA-N 1 0 332.263 3.147 20 10 EGCDRO COc1cc2c(cc1C[NH2+]Cc1ccc(N(C)C)cc1)O[C@H](C)C2 ZINC000017318114 1291182319 /nfs/dbraw/zinc/18/23/19/1291182319.db2.gz GDCCZCPSMNHBNW-CQSZACIVSA-N 1 0 326.440 3.374 20 10 EGCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000022000511 1291208032 /nfs/dbraw/zinc/20/80/32/1291208032.db2.gz WPBFHRKHBOJQOV-UHFFFAOYSA-N 1 0 347.462 3.301 20 10 EGCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827661771 1292352785 /nfs/dbraw/zinc/35/27/85/1292352785.db2.gz FPTGDWCNHQDRAP-UHFFFAOYSA-N 1 0 339.483 3.074 20 10 EGCDRO Cc1cc(C[NH+]2CCC(c3nnc[nH]3)CC2)ccc1N1CCCCC1 ZINC000828021583 1292420101 /nfs/dbraw/zinc/42/01/01/1292420101.db2.gz ZIVQEGCVVJMRJC-UHFFFAOYSA-N 1 0 339.487 3.483 20 10 EGCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828965088 1292523447 /nfs/dbraw/zinc/52/34/47/1292523447.db2.gz KRQHIUHJIHEMAS-ICSRJNTNSA-N 1 0 332.488 3.269 20 10 EGCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000831116875 1292813325 /nfs/dbraw/zinc/81/33/25/1292813325.db2.gz JSCMDXRMRKLXHQ-CVEARBPZSA-N 1 0 346.519 3.381 20 10 EGCDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000091930821 1292850081 /nfs/dbraw/zinc/85/00/81/1292850081.db2.gz VPVYKIDEQPVGMM-UHFFFAOYSA-N 1 0 333.863 3.147 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092401038 1292866139 /nfs/dbraw/zinc/86/61/39/1292866139.db2.gz UMBHCKJFYYCXCA-HZPDHXFCSA-N 1 0 348.487 3.308 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000093499799 1292924336 /nfs/dbraw/zinc/92/43/36/1292924336.db2.gz LTGJHGJDRNBEIE-UWVGGRQHSA-N 1 0 346.290 3.489 20 10 EGCDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093558766 1292926410 /nfs/dbraw/zinc/92/64/10/1292926410.db2.gz SXEMPXLOIXTDHN-CQSZACIVSA-N 1 0 326.481 3.236 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000093692668 1292930571 /nfs/dbraw/zinc/93/05/71/1292930571.db2.gz TYIGDYUGOSPSRR-ZDUSSCGKSA-N 1 0 341.293 3.318 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1Cl ZINC000832266232 1292978008 /nfs/dbraw/zinc/97/80/08/1292978008.db2.gz DJWSLTAQWWOIDP-QGZVFWFLSA-N 1 0 331.847 3.144 20 10 EGCDRO CCc1ccc([C@H](C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832281516 1292980731 /nfs/dbraw/zinc/98/07/31/1292980731.db2.gz TXGPNLNCIAOUDO-YWZLYKJASA-N 1 0 339.483 3.235 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834768253 1293143816 /nfs/dbraw/zinc/14/38/16/1293143816.db2.gz ACZOMSMOZNDNJK-KBMXLJTQSA-N 1 0 332.444 3.226 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)CC2 ZINC000834775322 1293145924 /nfs/dbraw/zinc/14/59/24/1293145924.db2.gz YUILSBRKPFRLOY-WOSRLPQWSA-N 1 0 329.362 3.453 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000834860651 1293158715 /nfs/dbraw/zinc/15/87/15/1293158715.db2.gz TZBMSTDCPAFBRX-HNNXBMFYSA-N 1 0 329.419 3.217 20 10 EGCDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834876551 1293161514 /nfs/dbraw/zinc/16/15/14/1293161514.db2.gz CMIQRXWPRXPIQP-CABCVRRESA-N 1 0 340.895 3.378 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c(O)c1C ZINC000834883937 1293163516 /nfs/dbraw/zinc/16/35/16/1293163516.db2.gz SGYPMNBJKOGHOT-CQSZACIVSA-N 1 0 333.453 3.263 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1cc(Cl)ccc1O ZINC000834900084 1293169599 /nfs/dbraw/zinc/16/95/99/1293169599.db2.gz SVRRQFMZFJNJAJ-BNLOLNQZSA-N 1 0 335.835 3.350 20 10 EGCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)[C@H]1n1cccn1 ZINC000834902308 1293170339 /nfs/dbraw/zinc/17/03/39/1293170339.db2.gz GPUTZZRJUNSCRR-MFWIUYSUSA-N 1 0 341.455 3.363 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1ccc(N(C)C)cc1 ZINC000834911781 1293173933 /nfs/dbraw/zinc/17/39/33/1293173933.db2.gz KCSGNHIMIOIFOY-ZVZYQTTQSA-N 1 0 328.460 3.057 20 10 EGCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000834911261 1293174255 /nfs/dbraw/zinc/17/42/55/1293174255.db2.gz LPNYQXDQXTUBQH-HIFRSBDPSA-N 1 0 326.444 3.134 20 10 EGCDRO Cc1ccc(OC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000116868329 1293210803 /nfs/dbraw/zinc/21/08/03/1293210803.db2.gz JHGKILXARBECNO-UHFFFAOYSA-N 1 0 341.407 3.473 20 10 EGCDRO CC(C)CCOCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000119560187 1293277786 /nfs/dbraw/zinc/27/77/86/1293277786.db2.gz NPLCYAQIAZGKOB-MRXNPFEDSA-N 1 0 338.467 3.376 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000121215068 1293360696 /nfs/dbraw/zinc/36/06/96/1293360696.db2.gz NQEHEPJTOURZCY-QGZVFWFLSA-N 1 0 342.439 3.444 20 10 EGCDRO COc1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000122141813 1293402153 /nfs/dbraw/zinc/40/21/53/1293402153.db2.gz DESITQPNYVHYQC-UHFFFAOYSA-N 1 0 326.440 3.416 20 10 EGCDRO Cc1cc(C(=O)NC2CCC([NH3+])CC2)c(C)n1-c1ccccc1C ZINC000131911434 1293703839 /nfs/dbraw/zinc/70/38/39/1293703839.db2.gz ZPRICPAIQHWTKV-UHFFFAOYSA-N 1 0 325.456 3.402 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000155523856 1294102171 /nfs/dbraw/zinc/10/21/71/1294102171.db2.gz BLWKFRGKJACFEZ-UHFFFAOYSA-N 1 0 325.456 3.086 20 10 EGCDRO CC[N@H+](CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000156653787 1294152951 /nfs/dbraw/zinc/15/29/51/1294152951.db2.gz QQYOQJIHQBHIGH-MRXNPFEDSA-N 1 0 337.483 3.043 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cccc(C(=O)NC)c2)cc1 ZINC000157800196 1294187703 /nfs/dbraw/zinc/18/77/03/1294187703.db2.gz HJJRLHCADHMPBM-INIZCTEOSA-N 1 0 339.483 3.396 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000159608521 1294241709 /nfs/dbraw/zinc/24/17/09/1294241709.db2.gz CAACYLLLBJZUNB-UHFFFAOYSA-N 1 0 342.430 3.168 20 10 EGCDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)cn1 ZINC000160342259 1294265743 /nfs/dbraw/zinc/26/57/43/1294265743.db2.gz ZKUSWZJWALVJJS-OAHLLOKOSA-N 1 0 325.456 3.069 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(OC[C@@H]3CCCO3)CC1)CCCC2 ZINC000160374766 1294267132 /nfs/dbraw/zinc/26/71/32/1294267132.db2.gz MOXPLEKNBPHIFS-FQEVSTJZSA-N 1 0 345.483 3.431 20 10 EGCDRO CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000161585213 1294295611 /nfs/dbraw/zinc/29/56/11/1294295611.db2.gz DBEGVIPVIWHPSS-QGZVFWFLSA-N 1 0 331.504 3.048 20 10 EGCDRO COc1cc(C[NH+]2CCC(N(C)C(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000164236149 1294344992 /nfs/dbraw/zinc/34/49/92/1294344992.db2.gz FCVUVCGBOXBXPY-UHFFFAOYSA-N 1 0 348.487 3.141 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000170790911 1294382228 /nfs/dbraw/zinc/38/22/28/1294382228.db2.gz DEEDQRSLYROQAG-QGZVFWFLSA-N 1 0 338.373 3.292 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)cc1 ZINC000178452456 1294737153 /nfs/dbraw/zinc/73/71/53/1294737153.db2.gz QPRKHBJOFIOTGT-OAHLLOKOSA-N 1 0 343.446 3.362 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)ccc1OC ZINC000179347016 1294787684 /nfs/dbraw/zinc/78/76/84/1294787684.db2.gz ZTZZXVZPIKZPDH-WMLDXEAASA-N 1 0 333.428 3.427 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180035260 1294855113 /nfs/dbraw/zinc/85/51/13/1294855113.db2.gz RPUMSLTUHFCDNF-UHFFFAOYSA-N 1 0 345.450 3.315 20 10 EGCDRO Fc1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000181441503 1294969314 /nfs/dbraw/zinc/96/93/14/1294969314.db2.gz FJJYQHYMBMIHRZ-UHFFFAOYSA-N 1 0 326.415 3.221 20 10 EGCDRO Cc1cc(C(=O)CN2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1C ZINC000183174676 1295102939 /nfs/dbraw/zinc/10/29/39/1295102939.db2.gz ICEHMQNLEGOBKU-MSOLQXFVSA-N 1 0 340.467 3.288 20 10 EGCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000183213498 1295104577 /nfs/dbraw/zinc/10/45/77/1295104577.db2.gz BQQDQAXBNZJHIG-INIZCTEOSA-N 1 0 331.504 3.490 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(O)cc1C ZINC000183795779 1295144226 /nfs/dbraw/zinc/14/42/26/1295144226.db2.gz KLCBMVVMQWKSCE-HNNXBMFYSA-N 1 0 335.444 3.263 20 10 EGCDRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000184008106 1295164832 /nfs/dbraw/zinc/16/48/32/1295164832.db2.gz NUELNDYUORVJGK-HNNXBMFYSA-N 1 0 340.442 3.480 20 10 EGCDRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)CC(C)C ZINC000184949543 1295230375 /nfs/dbraw/zinc/23/03/75/1295230375.db2.gz NJYDCODRRWMNNJ-KGLIPLIRSA-N 1 0 338.448 3.212 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c(O)c1 ZINC000184981823 1295233454 /nfs/dbraw/zinc/23/34/54/1295233454.db2.gz MECMITNDHIDNAI-CQSZACIVSA-N 1 0 330.403 3.229 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000185188230 1295246593 /nfs/dbraw/zinc/24/65/93/1295246593.db2.gz RLTOOALJIVURTL-OAHLLOKOSA-N 1 0 342.439 3.088 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000185855846 1295290505 /nfs/dbraw/zinc/29/05/05/1295290505.db2.gz WHNVXNRXKQKNBQ-STQMWFEESA-N 1 0 346.377 3.435 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)[C@@H]1Oc1ccccc1 ZINC000187640148 1295405165 /nfs/dbraw/zinc/40/51/65/1295405165.db2.gz OYATZEJIVHUBHA-GGPKGHCWSA-N 1 0 327.424 3.415 20 10 EGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000193350147 1295856123 /nfs/dbraw/zinc/85/61/23/1295856123.db2.gz DAJQHVXSYDIODQ-LJQANCHMSA-N 1 0 335.444 3.120 20 10 EGCDRO Cc1cc(C(=O)NC2(C)CC[NH2+]CC2)c(C)n1-c1cccc(C)c1 ZINC000193381597 1295860606 /nfs/dbraw/zinc/86/06/06/1295860606.db2.gz PXUDKXBGJQFPPE-UHFFFAOYSA-N 1 0 325.456 3.274 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c(C)n1-c1ccccc1C ZINC000237518237 1296247957 /nfs/dbraw/zinc/24/79/57/1296247957.db2.gz ISOZTGZIJBPPIT-YOEHRIQHSA-N 1 0 325.456 3.354 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000246997574 1296378611 /nfs/dbraw/zinc/37/86/11/1296378611.db2.gz JRVNIWXRIIZZJT-XUVXKRRUSA-N 1 0 344.499 3.457 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000247081390 1296382933 /nfs/dbraw/zinc/38/29/33/1296382933.db2.gz OXOOPSBSSWAJFL-HNAYVOBHSA-N 1 0 346.446 3.372 20 10 EGCDRO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000247982228 1296404750 /nfs/dbraw/zinc/40/47/50/1296404750.db2.gz ILYSGYPIDKKIRF-AEFFLSMTSA-N 1 0 349.494 3.187 20 10 EGCDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 ZINC000261671170 1296597079 /nfs/dbraw/zinc/59/70/79/1296597079.db2.gz GGYJSTZZUWBGPZ-LBPRGKRZSA-N 1 0 340.427 3.303 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2cncn2C)cc1 ZINC000296067202 1296765388 /nfs/dbraw/zinc/76/53/88/1296765388.db2.gz PPGDDKBHFSBMHU-UHFFFAOYSA-N 1 0 326.469 3.408 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000301814119 1296794810 /nfs/dbraw/zinc/79/48/10/1296794810.db2.gz HEPWVADEKFZELA-HZPDHXFCSA-N 1 0 332.444 3.157 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000303858305 1296860072 /nfs/dbraw/zinc/86/00/72/1296860072.db2.gz GUJAZOFOFZGRGF-LJQANCHMSA-N 1 0 325.456 3.260 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000305567581 1297015859 /nfs/dbraw/zinc/01/58/59/1297015859.db2.gz DAMUPANJQURUQM-GXTWGEPZSA-N 1 0 332.444 3.458 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[NH2+]C(C)(C)C ZINC000325082064 1297219909 /nfs/dbraw/zinc/21/99/09/1297219909.db2.gz IYWLRIPTTUYSED-UHFFFAOYSA-N 1 0 331.504 3.414 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](SC)C2)cc1Cn1cccn1 ZINC000873063342 1297254966 /nfs/dbraw/zinc/25/49/66/1297254966.db2.gz QLTJPFOPHJJYTK-IAGOWNOFSA-N 1 0 331.485 3.314 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1Cn1cccn1 ZINC000873100460 1297272694 /nfs/dbraw/zinc/27/26/94/1297272694.db2.gz UVTRQJYPOMWUAB-QUCCMNQESA-N 1 0 343.471 3.233 20 10 EGCDRO CCC(C)(C)OCC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873130541 1297287211 /nfs/dbraw/zinc/28/72/11/1297287211.db2.gz HFAYIMONBYXNBC-UHFFFAOYSA-N 1 0 331.460 3.235 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000873132318 1297289195 /nfs/dbraw/zinc/28/91/95/1297289195.db2.gz OOHUYRDTUQCTGI-KRWDZBQOSA-N 1 0 348.450 3.255 20 10 EGCDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406894 1298059265 /nfs/dbraw/zinc/05/92/65/1298059265.db2.gz ITNHZAAQEGJZGI-CLFYSBASSA-N 1 0 326.396 3.120 20 10 EGCDRO CC(C)(C[NH+]1CCCC1)NCc1c(O)cccc1Br ZINC000706821422 1298223700 /nfs/dbraw/zinc/22/37/00/1298223700.db2.gz FTSKNKBXLISHTE-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000701927306 1298191858 /nfs/dbraw/zinc/19/18/58/1298191858.db2.gz CTYBCIBTMZMYFP-VXGBXAGGSA-N 1 0 326.412 3.437 20 10 EGCDRO OC[C@H]([NH2+]Cc1c(O)cccc1Br)C1CCCCC1 ZINC000706808507 1298223882 /nfs/dbraw/zinc/22/38/82/1298223882.db2.gz SPPDHQKTVOZPFM-AWEZNQCLSA-N 1 0 328.250 3.186 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCc1nnc2ccccn21 ZINC000725841616 1298372471 /nfs/dbraw/zinc/37/24/71/1298372471.db2.gz JUPGVBVAMHVKBG-UHFFFAOYSA-N 1 0 344.418 3.434 20 10 EGCDRO C[NH+](C)CCn1ccc2ccc(NC(=O)C3=CC(=O)CS3)cc21 ZINC000746412340 1298585818 /nfs/dbraw/zinc/58/58/18/1298585818.db2.gz PLQXORIDMGZOLZ-UHFFFAOYSA-N 1 0 329.425 3.222 20 10 EGCDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876807148 1299000456 /nfs/dbraw/zinc/00/04/56/1299000456.db2.gz ZJPDSIGJQKAHGY-UHFFFAOYSA-N 1 0 347.890 3.272 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000876812531 1299008914 /nfs/dbraw/zinc/00/89/14/1299008914.db2.gz MKJGRDKCZAWVLW-FXAWDEMLSA-N 1 0 327.424 3.025 20 10 EGCDRO COC(=O)c1csc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000876986587 1299100821 /nfs/dbraw/zinc/10/08/21/1299100821.db2.gz GTCQVGMCPBMWLG-UHFFFAOYSA-N 1 0 330.453 3.207 20 10 EGCDRO CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877027147 1299120201 /nfs/dbraw/zinc/12/02/01/1299120201.db2.gz JITVRGMNTQTANF-LJQANCHMSA-N 1 0 345.531 3.002 20 10 EGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877035794 1299124461 /nfs/dbraw/zinc/12/44/61/1299124461.db2.gz JUTPPILLHKRVBU-VQIMIIECSA-N 1 0 334.529 3.412 20 10 EGCDRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccccc1O ZINC000749110470 1299143346 /nfs/dbraw/zinc/14/33/46/1299143346.db2.gz IFBKZNKDQNVHPY-UHFFFAOYSA-N 1 0 341.363 3.223 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1SCCc3ccccc31)OCO2 ZINC000749300171 1299188696 /nfs/dbraw/zinc/18/86/96/1299188696.db2.gz XFPZISDCPYOHRM-GOSISDBHSA-N 1 0 329.421 3.241 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000877478489 1299329995 /nfs/dbraw/zinc/32/99/95/1299329995.db2.gz IWLUIOXAXZAHDK-ZDUSSCGKSA-N 1 0 339.357 3.059 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000877500760 1299349977 /nfs/dbraw/zinc/34/99/77/1299349977.db2.gz IYYQUOCRLKGDIU-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](CC)CO1 ZINC000877611364 1299430499 /nfs/dbraw/zinc/43/04/99/1299430499.db2.gz PUZZAOZABVRJQD-YLJYHZDGSA-N 1 0 332.488 3.037 20 10 EGCDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877611615 1299431963 /nfs/dbraw/zinc/43/19/63/1299431963.db2.gz VVDBIFVHUURYJY-KRWDZBQOSA-N 1 0 332.488 3.037 20 10 EGCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000877755680 1299531482 /nfs/dbraw/zinc/53/14/82/1299531482.db2.gz LKOLATDDFMOZKS-JHJVBQTASA-N 1 0 327.371 3.410 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)cc1Cl ZINC000877773735 1299549105 /nfs/dbraw/zinc/54/91/05/1299549105.db2.gz WQPVOHOHEJMAFG-UHFFFAOYSA-N 1 0 338.879 3.434 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCO1 ZINC000753660662 1300001638 /nfs/dbraw/zinc/00/16/38/1300001638.db2.gz AMQVKDRFWUADDN-XCRHUMRWSA-N 1 0 338.879 3.167 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)cc1F ZINC000754740432 1300205452 /nfs/dbraw/zinc/20/54/52/1300205452.db2.gz RUHMAYXUCKGLJD-UHFFFAOYSA-N 1 0 344.430 3.479 20 10 EGCDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000755244646 1300305438 /nfs/dbraw/zinc/30/54/38/1300305438.db2.gz GYFPSWXKBVGBBF-IBGZPJMESA-N 1 0 331.504 3.366 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000756362585 1300475532 /nfs/dbraw/zinc/47/55/32/1300475532.db2.gz JZSFNGUQZZICPL-CABCVRRESA-N 1 0 334.460 3.094 20 10 EGCDRO COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756381503 1300480262 /nfs/dbraw/zinc/48/02/62/1300480262.db2.gz MCLROTZAQHGGKR-UXEPBGEESA-N 1 0 331.387 3.411 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cc(F)ccc1O ZINC000756391996 1300482651 /nfs/dbraw/zinc/48/26/51/1300482651.db2.gz GFSFRJXBRNQTQX-CYBMUJFWSA-N 1 0 326.375 3.022 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000756431000 1300488176 /nfs/dbraw/zinc/48/81/76/1300488176.db2.gz AOSAFZWBINTCQM-WFASDCNBSA-N 1 0 346.402 3.290 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000756454223 1300494767 /nfs/dbraw/zinc/49/47/67/1300494767.db2.gz KNZQPKBBFXQSQG-ABAIWWIYSA-N 1 0 346.377 3.238 20 10 EGCDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756494292 1300506090 /nfs/dbraw/zinc/50/60/90/1300506090.db2.gz LIEAGYMBSLUYQW-GHMZBOCLSA-N 1 0 336.233 3.227 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2c1c(F)ccc2O ZINC000756503805 1300509397 /nfs/dbraw/zinc/50/93/97/1300509397.db2.gz PWBXNOSMMCLJOX-SCVCMEIPSA-N 1 0 332.341 3.306 20 10 EGCDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000756525939 1300515300 /nfs/dbraw/zinc/51/53/00/1300515300.db2.gz DILJIAIWZMILBR-ZFWWWQNUSA-N 1 0 328.412 3.427 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(Br)ccc1O ZINC000756534196 1300516325 /nfs/dbraw/zinc/51/63/25/1300516325.db2.gz LCURZNBRKAHLJG-ZYHUDNBSSA-N 1 0 325.250 3.042 20 10 EGCDRO C[C@H]([NH2+]CCN1CCOCC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000756538829 1300517760 /nfs/dbraw/zinc/51/77/60/1300517760.db2.gz GGKDMUSNRGMMAV-HNNXBMFYSA-N 1 0 332.488 3.032 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCCc3ccccc32)c1 ZINC000756562212 1300521473 /nfs/dbraw/zinc/52/14/73/1300521473.db2.gz IPHSQLAFEHEGIM-JLTOFOAXSA-N 1 0 327.424 3.276 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(O)c1C ZINC000756737065 1300556163 /nfs/dbraw/zinc/55/61/63/1300556163.db2.gz CYHARMLBCNULGN-KKUMJFAQSA-N 1 0 325.474 3.015 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3cc(F)ccc3n2C)c1 ZINC000756733561 1300556280 /nfs/dbraw/zinc/55/62/80/1300556280.db2.gz QANQKNHIABWJDW-LLVKDONJSA-N 1 0 329.375 3.277 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000756737075 1300556850 /nfs/dbraw/zinc/55/68/50/1300556850.db2.gz DEELGLMSNABNAC-WCFLWFBJSA-N 1 0 331.865 3.052 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(C)(C)O)CC2)c1O ZINC000879626922 1300634727 /nfs/dbraw/zinc/63/47/27/1300634727.db2.gz SNCPHUNCNCTACQ-UHFFFAOYSA-N 1 0 325.836 3.231 20 10 EGCDRO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@H](C)c2ccccc2O)c1C ZINC000879648305 1300647683 /nfs/dbraw/zinc/64/76/83/1300647683.db2.gz JHBXNZVPCILKAL-GFCCVEGCSA-N 1 0 344.411 3.047 20 10 EGCDRO COC(=O)/C=C/c1ccc(OCC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879649632 1300650088 /nfs/dbraw/zinc/65/00/88/1300650088.db2.gz ZZNIYGWXKYHDGG-SAAWKEMMSA-N 1 0 341.407 3.308 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1C ZINC000758531119 1300905866 /nfs/dbraw/zinc/90/58/66/1300905866.db2.gz WOAYGRAYBMUBNS-UYAOXDASSA-N 1 0 329.415 3.399 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1O ZINC000761184190 1301416033 /nfs/dbraw/zinc/41/60/33/1301416033.db2.gz SMBBSMYXOPOGQI-UHFFFAOYSA-N 1 0 349.814 3.457 20 10 EGCDRO COC(=O)CCC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761198446 1301418360 /nfs/dbraw/zinc/41/83/60/1301418360.db2.gz JNUDVWDIKCAXRF-UHFFFAOYSA-N 1 0 341.835 3.219 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000761982487 1301583497 /nfs/dbraw/zinc/58/34/97/1301583497.db2.gz VMRFZPHGXPKJNH-UHFFFAOYSA-N 1 0 343.210 3.271 20 10 EGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000762073799 1301608225 /nfs/dbraw/zinc/60/82/25/1301608225.db2.gz JFJYNWYGTMEHFP-UHFFFAOYSA-N 1 0 331.460 3.380 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c(O)c1 ZINC000762613948 1301712612 /nfs/dbraw/zinc/71/26/12/1301712612.db2.gz LHPHDNQNBSAQRY-VNQPRFMTSA-N 1 0 325.499 3.260 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000763384545 1301890958 /nfs/dbraw/zinc/89/09/58/1301890958.db2.gz RVCHKZIBUJHZAD-HNNXBMFYSA-N 1 0 339.501 3.007 20 10 EGCDRO Cc1noc(C[C@H]([NH2+]Cc2cc(F)ccc2O)c2ccccc2)n1 ZINC000763545914 1301921995 /nfs/dbraw/zinc/92/19/95/1301921995.db2.gz GGVBTRHAIMXZIE-INIZCTEOSA-N 1 0 327.359 3.296 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000763998027 1301998396 /nfs/dbraw/zinc/99/83/96/1301998396.db2.gz RZUCPZZTJCKESA-FQEVSTJZSA-N 1 0 339.483 3.404 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2)cc1 ZINC000764825832 1302144192 /nfs/dbraw/zinc/14/41/92/1302144192.db2.gz ZVHKTRAYJFQPHH-FQEVSTJZSA-N 1 0 342.483 3.405 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ncnc4ccsc43)cc2)CC1 ZINC000882880179 1302146013 /nfs/dbraw/zinc/14/60/13/1302146013.db2.gz FKWASQHRJMWEID-UHFFFAOYSA-N 1 0 339.468 3.055 20 10 EGCDRO CSc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000882904421 1302156725 /nfs/dbraw/zinc/15/67/25/1302156725.db2.gz XYPRBRLHZRUHCR-UHFFFAOYSA-N 1 0 336.432 3.267 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OCCOC)nc2)cc1 ZINC000764986751 1302181742 /nfs/dbraw/zinc/18/17/42/1302181742.db2.gz FDEWUCHLHUZKPH-INIZCTEOSA-N 1 0 343.471 3.414 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)C ZINC000765128990 1302207849 /nfs/dbraw/zinc/20/78/49/1302207849.db2.gz ZBRWGTBAIYVZGR-MPGHIAIKSA-N 1 0 338.467 3.200 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000765332333 1302249020 /nfs/dbraw/zinc/24/90/20/1302249020.db2.gz WFRLMUYQZSWSHF-OXQOHEQNSA-N 1 0 332.488 3.379 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000765717827 1302313081 /nfs/dbraw/zinc/31/30/81/1302313081.db2.gz JJRXIVYSPPSOIF-AWEZNQCLSA-N 1 0 332.469 3.341 20 10 EGCDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000765733730 1302314062 /nfs/dbraw/zinc/31/40/62/1302314062.db2.gz QUHKCJZYRYBBPH-OALUTQOASA-N 1 0 345.531 3.438 20 10 EGCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765862569 1302342115 /nfs/dbraw/zinc/34/21/15/1302342115.db2.gz WONJERBEDJHGTN-SJLPKXTDSA-N 1 0 349.494 3.187 20 10 EGCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765862570 1302342512 /nfs/dbraw/zinc/34/25/12/1302342512.db2.gz WONJERBEDJHGTN-WMZOPIPTSA-N 1 0 349.494 3.187 20 10 EGCDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765949778 1302356249 /nfs/dbraw/zinc/35/62/49/1302356249.db2.gz CVNPAXSREMJNOO-KDOFPFPSSA-N 1 0 340.895 3.234 20 10 EGCDRO CCC[N@H+](CCc1cccs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000766028364 1302373306 /nfs/dbraw/zinc/37/33/06/1302373306.db2.gz RNZMRQISTLEUME-QGZVFWFLSA-N 1 0 333.453 3.334 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1(C)C ZINC000766096228 1302388118 /nfs/dbraw/zinc/38/81/18/1302388118.db2.gz RITPSBQYNVYLSQ-ATZDWAIDSA-N 1 0 332.488 3.377 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)c3ccccc3C)CC2)cc1 ZINC000766399965 1302444005 /nfs/dbraw/zinc/44/40/05/1302444005.db2.gz KVTNURZKGKWZBR-NRFANRHFSA-N 1 0 340.467 3.296 20 10 EGCDRO CCOc1cccc(CN2CC[NH+](Cc3ccccc3C)CC2)c1O ZINC000768194805 1302853195 /nfs/dbraw/zinc/85/31/95/1302853195.db2.gz DXFVBJSRPNZKNI-UHFFFAOYSA-N 1 0 340.467 3.417 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1 ZINC000768215083 1302856393 /nfs/dbraw/zinc/85/63/93/1302856393.db2.gz XRVPCRWQQZFPAJ-UHFFFAOYSA-N 1 0 339.483 3.410 20 10 EGCDRO CC(C)[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccc(N(C)C)cc1 ZINC000768358467 1302887329 /nfs/dbraw/zinc/88/73/29/1302887329.db2.gz WGYVNIQLZCMECK-UHFFFAOYSA-N 1 0 331.485 3.324 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)C1CC1)[C@H](O)CO2 ZINC000768442533 1302902703 /nfs/dbraw/zinc/90/27/03/1302902703.db2.gz RXRABWILBSOBMW-GOSISDBHSA-N 1 0 329.371 3.122 20 10 EGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768446656 1302905544 /nfs/dbraw/zinc/90/55/44/1302905544.db2.gz ZLQGHSOLTVYNPZ-SFHVURJKSA-N 1 0 344.499 3.399 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](CCc1cccc(F)c1)C1CC1)[C@@H](O)CO2 ZINC000768447278 1302906737 /nfs/dbraw/zinc/90/67/37/1302906737.db2.gz NYUWQJDMFIMTGZ-IBGZPJMESA-N 1 0 343.398 3.164 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3cccc(F)c3)CC1)[C@@H](O)CO2 ZINC000768463677 1302912077 /nfs/dbraw/zinc/91/20/77/1302912077.db2.gz LEFBZLDPWFEEHQ-IBGZPJMESA-N 1 0 343.398 3.337 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)Cc2ccccc21 ZINC000768465692 1302912875 /nfs/dbraw/zinc/91/28/75/1302912875.db2.gz QBPFPHNHAOFKBJ-SFHVURJKSA-N 1 0 325.408 3.111 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c(O)c1 ZINC000768526064 1302924326 /nfs/dbraw/zinc/92/43/26/1302924326.db2.gz JCUWCLVYHHNXJL-UHFFFAOYSA-N 1 0 327.424 3.275 20 10 EGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000768589780 1302940809 /nfs/dbraw/zinc/94/08/09/1302940809.db2.gz XWDDXMRTWZDKLX-NEWSRXKRSA-N 1 0 343.515 3.304 20 10 EGCDRO COc1cccc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c1O ZINC000769110797 1303049191 /nfs/dbraw/zinc/04/91/91/1303049191.db2.gz IIKPIBWXEGEQFQ-UHFFFAOYSA-N 1 0 346.471 3.062 20 10 EGCDRO CC(C)(C)C[N@H+](CCCO)Cc1cc(Br)ccc1O ZINC000769343692 1303096813 /nfs/dbraw/zinc/09/68/13/1303096813.db2.gz SJKCGIPUYUCILD-UHFFFAOYSA-N 1 0 330.266 3.385 20 10 EGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769470262 1303119223 /nfs/dbraw/zinc/11/92/23/1303119223.db2.gz KDBVWHINADDOHE-BXUZGUMPSA-N 1 0 341.839 3.258 20 10 EGCDRO CCc1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000769499454 1303128497 /nfs/dbraw/zinc/12/84/97/1303128497.db2.gz VWBSGGQUXRIHTB-UHFFFAOYSA-N 1 0 326.440 3.285 20 10 EGCDRO CCOC(=O)C1([N@H+](C)Cc2cc(OCC)ccc2O)CCCCC1 ZINC000769503350 1303129451 /nfs/dbraw/zinc/12/94/51/1303129451.db2.gz HKMLMNHRGDUSQW-UHFFFAOYSA-N 1 0 335.444 3.489 20 10 EGCDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000769789219 1303175139 /nfs/dbraw/zinc/17/51/39/1303175139.db2.gz QDRXLCRLHDFGQW-LBPRGKRZSA-N 1 0 339.399 3.388 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000770373573 1303256188 /nfs/dbraw/zinc/25/61/88/1303256188.db2.gz HMBCIEXJIJQAHB-QFBILLFUSA-N 1 0 331.479 3.340 20 10 EGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000770749625 1303313031 /nfs/dbraw/zinc/31/30/31/1303313031.db2.gz WUDPJETVOMMFLN-NVXWUHKLSA-N 1 0 347.459 3.490 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000770752363 1303313927 /nfs/dbraw/zinc/31/39/27/1303313927.db2.gz NUEAIQOMGVSDLJ-FPOVZHCZSA-N 1 0 339.435 3.487 20 10 EGCDRO Cc1c[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771062528 1303354691 /nfs/dbraw/zinc/35/46/91/1303354691.db2.gz AQXULZXJVBMHLB-OAHLLOKOSA-N 1 0 347.846 3.077 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@@H]1C ZINC000886325227 1303434379 /nfs/dbraw/zinc/43/43/79/1303434379.db2.gz YWHWOQOXZVSTPI-JTDSTZFVSA-N 1 0 343.515 3.303 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(N2CCCCC2)cc1 ZINC000886666623 1303546730 /nfs/dbraw/zinc/54/67/30/1303546730.db2.gz WRQDLOIQYGJJPT-HQRMLTQVSA-N 1 0 332.488 3.258 20 10 EGCDRO CCCC[C@H](CC)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746966 1303582577 /nfs/dbraw/zinc/58/25/77/1303582577.db2.gz HMQYBAYODIIHNT-SFHVURJKSA-N 1 0 331.504 3.447 20 10 EGCDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000773008686 1303605849 /nfs/dbraw/zinc/60/58/49/1303605849.db2.gz XLYKEMKXLYGQLU-NVXWUHKLSA-N 1 0 347.478 3.476 20 10 EGCDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ccc(N(C)C)cc1 ZINC000773147399 1303632883 /nfs/dbraw/zinc/63/28/83/1303632883.db2.gz GNUHFPMTJCXJKO-INIZCTEOSA-N 1 0 346.519 3.377 20 10 EGCDRO C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773300050 1303658660 /nfs/dbraw/zinc/65/86/60/1303658660.db2.gz XTZSYFYYFZGQOB-QAPCUYQASA-N 1 0 348.535 3.479 20 10 EGCDRO COc1cc(C[NH+]2CCC(Oc3ncccc3F)CC2)c(O)cc1C ZINC000773349573 1303665354 /nfs/dbraw/zinc/66/53/54/1303665354.db2.gz OQBQTQWPBNRPFX-UHFFFAOYSA-N 1 0 346.402 3.287 20 10 EGCDRO C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773370320 1303669636 /nfs/dbraw/zinc/66/96/36/1303669636.db2.gz LZTRAZRYQQXUKT-GJZGRUSLSA-N 1 0 334.508 3.089 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774109974 1303774476 /nfs/dbraw/zinc/77/44/76/1303774476.db2.gz JMTAVEOLCKBTAI-IRXDYDNUSA-N 1 0 343.431 3.131 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1cccs1 ZINC000774483234 1303816273 /nfs/dbraw/zinc/81/62/73/1303816273.db2.gz NGFAXWVVJYUAGO-UONOGXRCSA-N 1 0 331.485 3.170 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000774879626 1303872129 /nfs/dbraw/zinc/87/21/29/1303872129.db2.gz JNJWWDVTOGKMDT-CYBMUJFWSA-N 1 0 346.358 3.438 20 10 EGCDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774913716 1303876192 /nfs/dbraw/zinc/87/61/92/1303876192.db2.gz OZUKKRWZZXSCMX-CHWSQXEVSA-N 1 0 340.445 3.415 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000775012455 1303888785 /nfs/dbraw/zinc/88/87/85/1303888785.db2.gz PHWJHHOQSJQJBM-SJORKVTESA-N 1 0 336.863 3.292 20 10 EGCDRO C[C@@H]([NH2+]CCCCCn1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000775257357 1303931164 /nfs/dbraw/zinc/93/11/64/1303931164.db2.gz IFMUVEVZYJQZSD-GOSISDBHSA-N 1 0 342.487 3.241 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000775371449 1303948305 /nfs/dbraw/zinc/94/83/05/1303948305.db2.gz XYFVSCUHEJTXIW-HUUCEWRRSA-N 1 0 342.439 3.271 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000775373860 1303948350 /nfs/dbraw/zinc/94/83/50/1303948350.db2.gz DHXPGPRLAUTMAG-IBGZPJMESA-N 1 0 340.467 3.401 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)c1ccccc1O ZINC000775414264 1303960448 /nfs/dbraw/zinc/96/04/48/1303960448.db2.gz GYNZDQXGEIROQL-FUHWJXTLSA-N 1 0 329.440 3.490 20 10 EGCDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000775445138 1303965395 /nfs/dbraw/zinc/96/53/95/1303965395.db2.gz MILPPZJWKRJZLC-CSKARUKUSA-N 1 0 346.471 3.272 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(NC(=O)COC)c1)c1ccccc1O ZINC000775486247 1303972235 /nfs/dbraw/zinc/97/22/35/1303972235.db2.gz COERAGJVJCJGNV-QGZVFWFLSA-N 1 0 328.412 3.218 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)[C@H](C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000775501026 1303975297 /nfs/dbraw/zinc/97/52/97/1303975297.db2.gz BMQAPQRJMMOHGT-WWGRRREGSA-N 1 0 326.868 3.196 20 10 EGCDRO CC[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)ccc1O ZINC000775551049 1303983361 /nfs/dbraw/zinc/98/33/61/1303983361.db2.gz HJKRFZZCLIDCIT-ZDUSSCGKSA-N 1 0 344.249 3.347 20 10 EGCDRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cccc(C)c1O ZINC000775689879 1304015721 /nfs/dbraw/zinc/01/57/21/1304015721.db2.gz PBQKAEBQELQAPG-UHFFFAOYSA-N 1 0 333.403 3.367 20 10 EGCDRO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000775830655 1304045182 /nfs/dbraw/zinc/04/51/82/1304045182.db2.gz MFTYHGSVADRSTD-LSDHHAIUSA-N 1 0 329.488 3.193 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000775837482 1304047506 /nfs/dbraw/zinc/04/75/06/1304047506.db2.gz SWXFDSNXQCYXTI-GFCCVEGCSA-N 1 0 333.382 3.320 20 10 EGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776217958 1304115355 /nfs/dbraw/zinc/11/53/55/1304115355.db2.gz CSYMZIQHCGAQCI-HZMBPMFUSA-N 1 0 330.266 3.350 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000776777743 1304198935 /nfs/dbraw/zinc/19/89/35/1304198935.db2.gz RHGVFPPPHKTPEE-MRXNPFEDSA-N 1 0 328.460 3.291 20 10 EGCDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000777555734 1304318391 /nfs/dbraw/zinc/31/83/91/1304318391.db2.gz FPJFRPJLYODSIX-NRFANRHFSA-N 1 0 345.402 3.036 20 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/nfs/dbraw/zinc/98/34/37/1304983437.db2.gz IHWUKBUTGLAOHP-AHRSYUTCSA-N 1 0 343.515 3.222 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)c(O)c1OC ZINC000891533581 1305081791 /nfs/dbraw/zinc/08/17/91/1305081791.db2.gz BLPWBEYCMCCPGL-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccccc1O ZINC000783489386 1305098176 /nfs/dbraw/zinc/09/81/76/1305098176.db2.gz COPXQJUQFWZYJK-WBVHZDCISA-N 1 0 345.512 3.093 20 10 EGCDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000783493119 1305099284 /nfs/dbraw/zinc/09/92/84/1305099284.db2.gz DPHFTECKOXGUPM-FXAWDEMLSA-N 1 0 340.467 3.425 20 10 EGCDRO Cc1ccncc1/C=C\C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000783974602 1305169466 /nfs/dbraw/zinc/16/94/66/1305169466.db2.gz JUUUULPSLYKTQF-YHYXMXQVSA-N 1 0 339.439 3.007 20 10 EGCDRO Cc1cccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)c1 ZINC000784026878 1305179374 /nfs/dbraw/zinc/17/93/74/1305179374.db2.gz PSJZJHQVBFXUQD-HNAYVOBHSA-N 1 0 325.408 3.116 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)cc1 ZINC000785550165 1305378231 /nfs/dbraw/zinc/37/82/31/1305378231.db2.gz XJVIHTOJLBXNON-IBGZPJMESA-N 1 0 329.488 3.166 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000785988363 1305486413 /nfs/dbraw/zinc/48/64/13/1305486413.db2.gz MBQFWRZYZJNZMC-MGPUTAFESA-N 1 0 328.456 3.490 20 10 EGCDRO COc1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)c(O)c1OC ZINC000892954220 1305624857 /nfs/dbraw/zinc/62/48/57/1305624857.db2.gz VDJZQEUUYPAQIS-UHFFFAOYSA-N 1 0 343.423 3.205 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(N(C)C)cc1 ZINC000786964311 1305668859 /nfs/dbraw/zinc/66/88/59/1305668859.db2.gz WXRGRLRZMNIKDM-GFCCVEGCSA-N 1 0 338.498 3.068 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(O)c1 ZINC000787288715 1305725898 /nfs/dbraw/zinc/72/58/98/1305725898.db2.gz BGBLOAJGZVRXAH-INIZCTEOSA-N 1 0 346.402 3.368 20 10 EGCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000787422668 1305744076 /nfs/dbraw/zinc/74/40/76/1305744076.db2.gz IJLKWSUALBWGPN-POAQFYNOSA-N 1 0 336.435 3.145 20 10 EGCDRO CCCCCn1cc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c(C)n1 ZINC000893257766 1305788104 /nfs/dbraw/zinc/78/81/04/1305788104.db2.gz AHHTUSQWXPPONX-UHFFFAOYSA-N 1 0 347.459 3.394 20 10 EGCDRO Cc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c(C)n1-c1cccc(C)c1 ZINC000788202835 1305894599 /nfs/dbraw/zinc/89/45/99/1305894599.db2.gz ILXYZUIDPWGEOZ-UHFFFAOYSA-N 1 0 337.467 3.180 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1O ZINC000788266265 1305911803 /nfs/dbraw/zinc/91/18/03/1305911803.db2.gz MALIRIUKZBOINU-CQSZACIVSA-N 1 0 337.851 3.317 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c(O)c1OC ZINC000893572671 1305974513 /nfs/dbraw/zinc/97/45/13/1305974513.db2.gz SMUFJFQLXNJCDS-BBRMVZONSA-N 1 0 328.412 3.388 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788638013 1305989384 /nfs/dbraw/zinc/98/93/84/1305989384.db2.gz FKMLANKYQARROR-INIZCTEOSA-N 1 0 326.440 3.398 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c(O)c1 ZINC000788653911 1305990378 /nfs/dbraw/zinc/99/03/78/1305990378.db2.gz ZVSBUHFYMAZMGA-AWEZNQCLSA-N 1 0 348.468 3.231 20 10 EGCDRO CC(C)c1cccc2c1CC[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000788785030 1306016549 /nfs/dbraw/zinc/01/65/49/1306016549.db2.gz OZTJONABDSQGSK-FQEVSTJZSA-N 1 0 339.435 3.500 20 10 EGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893967782 1306154291 /nfs/dbraw/zinc/15/42/91/1306154291.db2.gz SKRWTKQEHRRLMQ-UHFFFAOYSA-N 1 0 340.414 3.141 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)cc1OC ZINC000789777740 1306214983 /nfs/dbraw/zinc/21/49/83/1306214983.db2.gz BNDDSYKEYKOZOM-WOJBJXKFSA-N 1 0 345.439 3.257 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000894318252 1306340865 /nfs/dbraw/zinc/34/08/65/1306340865.db2.gz UOSORIYKXGZGCF-UHFFFAOYSA-N 1 0 338.448 3.102 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1O ZINC000894370460 1306362912 /nfs/dbraw/zinc/36/29/12/1306362912.db2.gz LUKYFOQCNFIPTB-XPKDYRNWSA-N 1 0 325.499 3.178 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000790653658 1306369116 /nfs/dbraw/zinc/36/91/16/1306369116.db2.gz WOLITZPTVBKCKJ-KRWDZBQOSA-N 1 0 334.847 3.447 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1C ZINC000791011403 1308910331 /nfs/dbraw/zinc/91/03/31/1308910331.db2.gz SAMQNRZMUZEFGJ-LJQANCHMSA-N 1 0 338.451 3.203 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1OC ZINC000894658840 1309007589 /nfs/dbraw/zinc/00/75/89/1309007589.db2.gz ZSHIDVYYPHFYPT-NSHDSACASA-N 1 0 332.356 3.168 20 10 EGCDRO COc1cc(C)cc(CN(CC[NH+](C)C)Cc2ccc(C)o2)c1O ZINC000894765419 1309056800 /nfs/dbraw/zinc/05/68/00/1309056800.db2.gz IDZGOOSLNCZFFU-UHFFFAOYSA-N 1 0 332.444 3.174 20 10 EGCDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000894792518 1309074875 /nfs/dbraw/zinc/07/48/75/1309074875.db2.gz BQYLUBIFEFVTAN-LBPRGKRZSA-N 1 0 349.402 3.278 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nc(C)c(C)s3)C2)cc1 ZINC000895006547 1309151965 /nfs/dbraw/zinc/15/19/65/1309151965.db2.gz RLQFOEPPUDTGGO-HNNXBMFYSA-N 1 0 331.485 3.385 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCOc2cccnc2)c(C(F)(F)F)c1 ZINC000792984025 1309275455 /nfs/dbraw/zinc/27/54/55/1309275455.db2.gz HXPILMBKFRQLPL-UHFFFAOYSA-N 1 0 339.361 3.335 20 10 EGCDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793019641 1309281947 /nfs/dbraw/zinc/28/19/47/1309281947.db2.gz SWRYPEGULCCJEZ-SJKOYZFVSA-N 1 0 341.421 3.344 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2cnccc2C(F)(F)F)c1O ZINC000895360473 1309300514 /nfs/dbraw/zinc/30/05/14/1309300514.db2.gz PSPVCXBZLNBIJD-UHFFFAOYSA-N 1 0 326.318 3.413 20 10 EGCDRO Cc1cccc(CC[NH2+]Cc2cc(Br)cc(C)c2O)n1 ZINC000793202641 1309315798 /nfs/dbraw/zinc/31/57/98/1309315798.db2.gz MWQWGHAHVQRJKY-UHFFFAOYSA-N 1 0 335.245 3.499 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)c(O)c1OC ZINC000895435922 1309335220 /nfs/dbraw/zinc/33/52/20/1309335220.db2.gz LLTWDUWQAZJJND-KRWDZBQOSA-N 1 0 342.439 3.120 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)c(O)c1 ZINC000793387533 1309361229 /nfs/dbraw/zinc/36/12/29/1309361229.db2.gz GBIQRUFSOQZYPP-ZDUSSCGKSA-N 1 0 325.412 3.388 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1OCC ZINC000793389569 1309361385 /nfs/dbraw/zinc/36/13/85/1309361385.db2.gz JVOJZTASSKHXCH-UHFFFAOYSA-N 1 0 331.412 3.488 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1C(C)C ZINC000793724204 1309432173 /nfs/dbraw/zinc/43/21/73/1309432173.db2.gz BELJFXUOIGMBLM-UHFFFAOYSA-N 1 0 339.501 3.081 20 10 EGCDRO COc1cc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794665944 1309566928 /nfs/dbraw/zinc/56/69/28/1309566928.db2.gz WSNUQNLKMDAWFB-VBKZILBWSA-N 1 0 349.471 3.078 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1ccc(C)cc1O ZINC000794798868 1309597488 /nfs/dbraw/zinc/59/74/88/1309597488.db2.gz YYWOUXKRQSPYMA-SFHVURJKSA-N 1 0 326.440 3.480 20 10 EGCDRO C[S@@](=O)CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308693 1309962074 /nfs/dbraw/zinc/96/20/74/1309962074.db2.gz HILABSPLZGELAC-XMMPIXPASA-N 1 0 342.508 3.108 20 10 EGCDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000796480436 1310010514 /nfs/dbraw/zinc/01/05/14/1310010514.db2.gz LXZBPWZVHCDBLN-UWJYYQICSA-N 1 0 340.467 3.043 20 10 EGCDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796498306 1310016061 /nfs/dbraw/zinc/01/60/61/1310016061.db2.gz SQEQTZMOWATJBR-DOTOQJQBSA-N 1 0 347.459 3.347 20 10 EGCDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797116455 1310142811 /nfs/dbraw/zinc/14/28/11/1310142811.db2.gz ZSKLADDJHVBZSJ-WMZOPIPTSA-N 1 0 349.494 3.187 20 10 EGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000797140987 1310146455 /nfs/dbraw/zinc/14/64/55/1310146455.db2.gz PGJIEAMZVJXPBP-UTUOFQBUSA-N 1 0 348.472 3.120 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897539358 1310368926 /nfs/dbraw/zinc/36/89/26/1310368926.db2.gz ZUSZRDKJNLTEFX-BXUZGUMPSA-N 1 0 328.250 3.186 20 10 EGCDRO Cc1nn(C(C)C)cc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000798952961 1310461744 /nfs/dbraw/zinc/46/17/44/1310461744.db2.gz VAFAJXWHUKQWCE-UHFFFAOYSA-N 1 0 330.476 3.349 20 10 EGCDRO CC(C)OC[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000800239004 1310709239 /nfs/dbraw/zinc/70/92/39/1310709239.db2.gz CKUKJWQAVMMNMN-YOEHRIQHSA-N 1 0 340.895 3.413 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccc3n[nH]cc32)N(C)C)cc1 ZINC000898447033 1310739196 /nfs/dbraw/zinc/73/91/96/1310739196.db2.gz FBOQHSSUARSTMG-HXUWFJFHSA-N 1 0 337.471 3.021 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898450828 1310741575 /nfs/dbraw/zinc/74/15/75/1310741575.db2.gz FELBOVFAFQQKFD-LJQANCHMSA-N 1 0 327.472 3.159 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCC23CCOCC3)N(C)C)cc1 ZINC000898450376 1310741909 /nfs/dbraw/zinc/74/19/09/1310741909.db2.gz QOVRDWILMBYCBR-VQTJNVASSA-N 1 0 345.531 3.294 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000898452510 1310743646 /nfs/dbraw/zinc/74/36/46/1310743646.db2.gz ZINHZCUCRSEZDH-LJQANCHMSA-N 1 0 342.443 3.053 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000801597017 1310970704 /nfs/dbraw/zinc/97/07/04/1310970704.db2.gz XRCNJLKCPKOXJG-CQSZACIVSA-N 1 0 349.475 3.007 20 10 EGCDRO C[C@H](CCO)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824515618 1320262715 /nfs/dbraw/zinc/26/27/15/1320262715.db2.gz GBLNAGRSWKVWGH-HNNXBMFYSA-N 1 0 335.448 3.083 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H](OC)C2CC2)c1O ZINC000825099236 1320309758 /nfs/dbraw/zinc/30/97/58/1320309758.db2.gz VVIDNOIPKUFUTC-VFZGTOFNSA-N 1 0 344.249 3.066 20 10 EGCDRO C[N@H+](CCc1nccs1)Cc1ccc(Br)cc1O ZINC000824905749 1320294709 /nfs/dbraw/zinc/29/47/09/1320294709.db2.gz BOZOXUBQPUGLOF-UHFFFAOYSA-N 1 0 327.247 3.286 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000825342001 1320330645 /nfs/dbraw/zinc/33/06/45/1320330645.db2.gz YHMNFCYJOADJOS-CYBMUJFWSA-N 1 0 326.234 3.346 20 10 EGCDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839496083 1320929272 /nfs/dbraw/zinc/92/92/72/1320929272.db2.gz LSGZFGTUTYRVSX-SZVBFZGTSA-N 1 0 329.488 3.022 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1O ZINC000858013248 1328658753 /nfs/dbraw/zinc/65/87/53/1328658753.db2.gz PYPNCKUAEGSXTG-HNNXBMFYSA-N 1 0 348.830 3.411 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000802653868 1317024000 /nfs/dbraw/zinc/02/40/00/1317024000.db2.gz CMYYQYISOXZVKQ-LJQANCHMSA-N 1 0 334.460 3.437 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C)s3)C2)cc1C ZINC001019944276 1317469605 /nfs/dbraw/zinc/46/96/05/1317469605.db2.gz VCRIZSYNBKWRGV-WKILWMFISA-N 1 0 344.480 3.424 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000806179812 1317469902 /nfs/dbraw/zinc/46/99/02/1317469902.db2.gz WGFJNEORJOADLV-OCCSQVGLSA-N 1 0 335.831 3.481 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1F ZINC000858165813 1328701507 /nfs/dbraw/zinc/70/15/07/1328701507.db2.gz OGTMNZWIGPMHRN-OXQOHEQNSA-N 1 0 346.421 3.287 20 10 EGCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000806662324 1317517179 /nfs/dbraw/zinc/51/71/79/1317517179.db2.gz BXOVPKMIROVSEN-WBMJQRKESA-N 1 0 332.469 3.064 20 10 EGCDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000807441346 1317566639 /nfs/dbraw/zinc/56/66/39/1317566639.db2.gz GFNQFFRXRLGBJN-HOCLYGCPSA-N 1 0 345.443 3.256 20 10 EGCDRO CNc1ccccc1C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000902602427 1317598433 /nfs/dbraw/zinc/59/84/33/1317598433.db2.gz AJHVLCIOYKNCGR-MRXNPFEDSA-N 1 0 325.456 3.353 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C34CCC(CC3)C4)C2)cc1C ZINC001020300047 1317634454 /nfs/dbraw/zinc/63/44/54/1317634454.db2.gz RTGPHUDCYQXDPY-LXMOOENQSA-N 1 0 342.483 3.321 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H]2COc3ccccc32)ccc1OC ZINC000808451274 1317678862 /nfs/dbraw/zinc/67/88/62/1317678862.db2.gz KTUZJOIGMPZZKU-KRWDZBQOSA-N 1 0 327.424 3.498 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(Br)ccc1O ZINC000903266515 1317682287 /nfs/dbraw/zinc/68/22/87/1317682287.db2.gz XSWGYBAIXRPHLE-PKPZWWHKSA-N 1 0 326.234 3.373 20 10 EGCDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000903393162 1317695581 /nfs/dbraw/zinc/69/55/81/1317695581.db2.gz HWDVSTOFEXBWKN-QFBILLFUSA-N 1 0 329.488 3.338 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)NCc2ccccc2)c1O ZINC000808682172 1317715297 /nfs/dbraw/zinc/71/52/97/1317715297.db2.gz OBASSSNERSDFNQ-ZDUSSCGKSA-N 1 0 332.831 3.321 20 10 EGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Br)ccc1O ZINC000809702983 1317869343 /nfs/dbraw/zinc/86/93/43/1317869343.db2.gz BRJDHJAUPPMVHZ-IUODEOHRSA-N 1 0 339.277 3.213 20 10 EGCDRO CCOc1ccc(C[N@@H+](CCc2ccccc2)CCN(C)C)c(O)c1 ZINC000809731273 1317882203 /nfs/dbraw/zinc/88/22/03/1317882203.db2.gz SBIHGJNFZBZBRP-UHFFFAOYSA-N 1 0 342.483 3.397 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2SC)c1O ZINC000809739984 1317886222 /nfs/dbraw/zinc/88/62/22/1317886222.db2.gz JKCAEJPCIGJTKM-UHFFFAOYSA-N 1 0 349.452 3.430 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000809769087 1317895041 /nfs/dbraw/zinc/89/50/41/1317895041.db2.gz AVRMXNWDOAUXND-MRXNPFEDSA-N 1 0 341.329 3.243 20 10 EGCDRO C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Br)c2[O-])C1 ZINC000809767939 1317895553 /nfs/dbraw/zinc/89/55/53/1317895553.db2.gz YMERPCAUQJPQOP-SWLSCSKDSA-N 1 0 339.277 3.071 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)CCOCc2ccccc2)cc1OC ZINC000809782460 1317901015 /nfs/dbraw/zinc/90/10/15/1317901015.db2.gz VBSNTXWRCPQFNM-HNNXBMFYSA-N 1 0 345.439 3.494 20 10 EGCDRO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000810163648 1317966409 /nfs/dbraw/zinc/96/64/09/1317966409.db2.gz BQMBJGYSPCHQKP-INIZCTEOSA-N 1 0 348.491 3.403 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c(O)c1 ZINC000810164503 1317966510 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3.282 20 10 EGCDRO Oc1cc2c(cc1CN1C[C@H]3CCC[N@@H+]3Cc3ccccc31)OCO2 ZINC000811508340 1318186995 /nfs/dbraw/zinc/18/69/95/1318186995.db2.gz MMOQMSDGAJAKDU-MRXNPFEDSA-N 1 0 338.407 3.106 20 10 EGCDRO CC[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](C)OC ZINC000812809125 1318461104 /nfs/dbraw/zinc/46/11/04/1318461104.db2.gz QTJKVRTZTHVUDK-HNNXBMFYSA-N 1 0 335.448 3.442 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000813331138 1318535476 /nfs/dbraw/zinc/53/54/76/1318535476.db2.gz LWHVBUKNTGCITE-AWEZNQCLSA-N 1 0 348.487 3.479 20 10 EGCDRO COCC1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOCC1 ZINC000814301926 1318719492 /nfs/dbraw/zinc/71/94/92/1318719492.db2.gz JEKLODPIIDIOOU-UHFFFAOYSA-N 1 0 327.424 3.344 20 10 EGCDRO Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911668198 1318757423 /nfs/dbraw/zinc/75/74/23/1318757423.db2.gz WBHQXRXCLZQPDK-QGZVFWFLSA-N 1 0 343.471 3.381 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000815019013 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332.835 3.023 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817957827 1319476192 /nfs/dbraw/zinc/47/61/92/1319476192.db2.gz FJOSSJJZXVYOQX-BEFAXECRSA-N 1 0 349.494 3.221 20 10 EGCDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(N)cc2)nnn1-c1ccc(C)cc1 ZINC000817956405 1319476500 /nfs/dbraw/zinc/47/65/00/1319476500.db2.gz YIEDRHPVCPVOMI-OAHLLOKOSA-N 1 0 335.455 3.360 20 10 EGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000817956128 1319476833 /nfs/dbraw/zinc/47/68/33/1319476833.db2.gz RIMVBOIGOVDWBV-AWEZNQCLSA-N 1 0 325.412 3.119 20 10 EGCDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc(OC)c1OC ZINC000817956294 1319477017 /nfs/dbraw/zinc/47/70/17/1319477017.db2.gz VWNJTMHMFJMTLK-CYBMUJFWSA-N 1 0 330.428 3.188 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817960620 1319477732 /nfs/dbraw/zinc/47/77/32/1319477732.db2.gz OLFLWQBBERXISA-BHDSKKPTSA-N 1 0 345.256 3.462 20 10 EGCDRO COCC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC[NH2+]CC1 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C[C@H]1CCCCN1C(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074010 1319748771 /nfs/dbraw/zinc/74/87/71/1319748771.db2.gz MTYVNYYKJHLRMT-INIZCTEOSA-N 1 0 329.488 3.118 20 10 EGCDRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000917196915 1319768599 /nfs/dbraw/zinc/76/85/99/1319768599.db2.gz JIYLVMGQBBATAA-HZPDHXFCSA-N 1 0 349.438 3.192 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000819717746 1319777428 /nfs/dbraw/zinc/77/74/28/1319777428.db2.gz KDQMJBCOXQPJAC-DOTOQJQBSA-N 1 0 343.496 3.322 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000917291991 1319782528 /nfs/dbraw/zinc/78/25/28/1319782528.db2.gz FSPYJLSDRMYTMO-QUCCMNQESA-N 1 0 337.467 3.451 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C3(C4CC4)CC3)C2)cc1C ZINC000961965682 1319783765 /nfs/dbraw/zinc/78/37/65/1319783765.db2.gz CEVDQJQKNPCDQZ-UHFFFAOYSA-N 1 0 342.483 3.178 20 10 EGCDRO C[N@H+](CC(=O)N1CCCC1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000917423066 1319806528 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Oc1cc(Br)ccc1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000825038308 1320305658 /nfs/dbraw/zinc/30/56/58/1320305658.db2.gz XTCLCSDJRVYUDC-GFCCVEGCSA-N 1 0 348.240 3.496 20 10 EGCDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000825188413 1320316995 /nfs/dbraw/zinc/31/69/95/1320316995.db2.gz KHZNJINNNRWXID-HKUYNNGSSA-N 1 0 327.424 3.222 20 10 EGCDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000825284216 1320323993 /nfs/dbraw/zinc/32/39/93/1320323993.db2.gz HDVZDLQCCFDYOO-CHWSQXEVSA-N 1 0 344.249 3.211 20 10 EGCDRO COC(=O)c1oc(C[NH2+]CCCSc2nccs2)cc1C ZINC000825303915 1320326238 /nfs/dbraw/zinc/32/62/38/1320326238.db2.gz NIMVWPAWYAIOFF-UHFFFAOYSA-N 1 0 326.443 3.103 20 10 EGCDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000825326470 1320327297 /nfs/dbraw/zinc/32/72/97/1320327297.db2.gz MSLINYBYSZQIFI-SJLPKXTDSA-N 1 0 337.423 3.289 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCSC3(CCOCC3)C2)cc1Cl ZINC000825537373 1320345689 /nfs/dbraw/zinc/34/56/89/1320345689.db2.gz XHESQXWXMQMPGD-UHFFFAOYSA-N 1 0 327.877 3.452 20 10 EGCDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825557316 1320346784 /nfs/dbraw/zinc/34/67/84/1320346784.db2.gz ZLPMFSKDUWNIEP-GFCCVEGCSA-N 1 0 340.851 3.311 20 10 EGCDRO CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C[C@H](O)C(F)(F)F ZINC000825563459 1320347307 /nfs/dbraw/zinc/34/73/07/1320347307.db2.gz XSIRKCIDUDENLY-AWEZNQCLSA-N 1 0 349.393 3.443 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1Cl ZINC000826123605 1320385069 /nfs/dbraw/zinc/38/50/69/1320385069.db2.gz QVFNQCJLBGLNMI-HNNXBMFYSA-N 1 0 336.863 3.331 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838771226 1320814543 /nfs/dbraw/zinc/81/45/43/1320814543.db2.gz JLSXALQJNJWBEO-KRWDZBQOSA-N 1 0 347.503 3.436 20 10 EGCDRO COc1ccc(O)c(CNc2ccc(OCC[NH+](C)C)c(F)c2)c1 ZINC000839190568 1320890445 /nfs/dbraw/zinc/89/04/45/1320890445.db2.gz QQPJQCYNKXTIIM-UHFFFAOYSA-N 1 0 334.391 3.092 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc1C(C)C ZINC000840146671 1321038241 /nfs/dbraw/zinc/03/82/41/1321038241.db2.gz LPMZBQWYNRKIFT-MRXNPFEDSA-N 1 0 333.476 3.060 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000840718472 1321133671 /nfs/dbraw/zinc/13/36/71/1321133671.db2.gz YTRXHIRNZRWGGP-CVEARBPZSA-N 1 0 340.471 3.078 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000840809781 1321153949 /nfs/dbraw/zinc/15/39/49/1321153949.db2.gz UTLWMZMFANJWDB-OCCSQVGLSA-N 1 0 335.831 3.481 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)c(O)c1 ZINC000840866703 1321164889 /nfs/dbraw/zinc/16/48/89/1321164889.db2.gz MWWIBENEFDWKDA-CQSZACIVSA-N 1 0 333.453 3.263 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000840866067 1321164968 /nfs/dbraw/zinc/16/49/68/1321164968.db2.gz IJQWJMWZZOHQAP-RISCZKNCSA-N 1 0 349.427 3.273 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3nnc(C4CC4)s3)CC2)cc1 ZINC000840890864 1321171683 /nfs/dbraw/zinc/17/16/83/1321171683.db2.gz NJTQZGDCCQKZBP-UHFFFAOYSA-N 1 0 344.484 3.183 20 10 EGCDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840890563 1321171899 /nfs/dbraw/zinc/17/18/99/1321171899.db2.gz OFNSTJYTJIZEDT-INIZCTEOSA-N 1 0 338.517 3.152 20 10 EGCDRO CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000840893416 1321172187 /nfs/dbraw/zinc/17/21/87/1321172187.db2.gz NOZQFASFAJNYEG-KRWDZBQOSA-N 1 0 338.517 3.008 20 10 EGCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840910043 1321175838 /nfs/dbraw/zinc/17/58/38/1321175838.db2.gz JYVZATYTDDFXRP-UHFFFAOYSA-N 1 0 331.504 3.189 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000840918802 1321177519 /nfs/dbraw/zinc/17/75/19/1321177519.db2.gz ZCWRRHSZURZRGD-QGZVFWFLSA-N 1 0 345.531 3.435 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000840919917 1321177691 /nfs/dbraw/zinc/17/76/91/1321177691.db2.gz BJYPCFLAWQMRQE-UHFFFAOYSA-N 1 0 340.393 3.445 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000840941732 1321182601 /nfs/dbraw/zinc/18/26/01/1321182601.db2.gz JFWMMGYCZWCALH-SFTDATJTSA-N 1 0 342.458 3.456 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@H](O)C(C)C ZINC000840966200 1321189373 /nfs/dbraw/zinc/18/93/73/1321189373.db2.gz DJPXIMRCWRTGCN-UONOGXRCSA-N 1 0 330.266 3.348 20 10 EGCDRO CC[NH2+]Cc1cccc(NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000841042493 1321207649 /nfs/dbraw/zinc/20/76/49/1321207649.db2.gz IWDNONKFISYXTN-UHFFFAOYSA-N 1 0 343.446 3.384 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnc(C(C)(C)C)s2)cc1 ZINC000841043891 1321208508 /nfs/dbraw/zinc/20/85/08/1321208508.db2.gz RGJZWBFOCCPCIC-MRXNPFEDSA-N 1 0 332.517 3.296 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000841046179 1321209351 /nfs/dbraw/zinc/20/93/51/1321209351.db2.gz XLEWGNSMMOBXLA-LJQANCHMSA-N 1 0 339.483 3.256 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c1O ZINC000841081955 1321215435 /nfs/dbraw/zinc/21/54/35/1321215435.db2.gz GDHPXGQBUXZCGY-OAHLLOKOSA-N 1 0 328.412 3.375 20 10 EGCDRO CSc1ccc([C@@H](CNC(=O)Nc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000841299423 1321249153 /nfs/dbraw/zinc/24/91/53/1321249153.db2.gz KKNKQPKXSUSKBW-QGZVFWFLSA-N 1 0 344.484 3.415 20 10 EGCDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(N)cc2)[NH+]2CCCC2)o1 ZINC000841301218 1321250101 /nfs/dbraw/zinc/25/01/01/1321250101.db2.gz GHOQPRBINKJRBR-INIZCTEOSA-N 1 0 328.416 3.129 20 10 EGCDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(N)cc1 ZINC000841301770 1321250182 /nfs/dbraw/zinc/25/01/82/1321250182.db2.gz YMGAADZQFLOVDF-UHFFFAOYSA-N 1 0 348.397 3.143 20 10 EGCDRO C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841308369 1321252228 /nfs/dbraw/zinc/25/22/28/1321252228.db2.gz PIXUDHIXAUCFIC-LBPRGKRZSA-N 1 0 329.400 3.003 20 10 EGCDRO C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000841308728 1321252454 /nfs/dbraw/zinc/25/24/54/1321252454.db2.gz UCEDKKAFCZQFRZ-UHFFFAOYSA-N 1 0 326.444 3.102 20 10 EGCDRO O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2c(c1)C[NH2+]C2 ZINC000841331372 1321257976 /nfs/dbraw/zinc/25/79/76/1321257976.db2.gz IQGKFNFWOQZRAY-UHFFFAOYSA-N 1 0 337.423 3.196 20 10 EGCDRO C[NH+](C)[C@@H](CC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000841393107 1321267811 /nfs/dbraw/zinc/26/78/11/1321267811.db2.gz JJNXIKDWJJMSKV-HNNXBMFYSA-N 1 0 349.525 3.435 20 10 EGCDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841743481 1321305623 /nfs/dbraw/zinc/30/56/23/1321305623.db2.gz HPDGKYMVYLIQHM-GFCCVEGCSA-N 1 0 348.830 3.481 20 10 EGCDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841750111 1321306342 /nfs/dbraw/zinc/30/63/42/1321306342.db2.gz UOHUTDXAQOZICZ-GFCCVEGCSA-N 1 0 348.830 3.135 20 10 EGCDRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc(Cl)cc1O ZINC000841752833 1321306394 /nfs/dbraw/zinc/30/63/94/1321306394.db2.gz CLQZTYQRQUUIAZ-SECBINFHSA-N 1 0 344.640 3.355 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Cl)ccc1O ZINC000841762073 1321308157 /nfs/dbraw/zinc/30/81/57/1321308157.db2.gz JXFUQQFWQOYPNH-GFCCVEGCSA-N 1 0 327.852 3.264 20 10 EGCDRO COC1(C(F)(F)F)CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000841888555 1321326600 /nfs/dbraw/zinc/32/66/00/1321326600.db2.gz LVCZSSKFPXQFPF-UHFFFAOYSA-N 1 0 334.357 3.435 20 10 EGCDRO Fc1cc(C[NH2+][C@@H]2COCc3ccccc32)ccc1N1CCOCC1 ZINC000841891917 1321327696 /nfs/dbraw/zinc/32/76/96/1321327696.db2.gz WHHONNKFCDPKPH-LJQANCHMSA-N 1 0 342.414 3.023 20 10 EGCDRO O=C(NCC[C@@H]1CC[NH2+]C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841935052 1321331382 /nfs/dbraw/zinc/33/13/82/1321331382.db2.gz FAYJETGWZBOFHT-INIZCTEOSA-N 1 0 345.487 3.236 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841983301 1321333467 /nfs/dbraw/zinc/33/34/67/1321333467.db2.gz BETLEROTBPRDRZ-KRWDZBQOSA-N 1 0 333.476 3.221 20 10 EGCDRO CCC(=[NH2+])NOC=C(O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000842023433 1321335897 /nfs/dbraw/zinc/33/58/97/1321335897.db2.gz GZPKKOFNOIEQIY-UHFFFAOYSA-N 1 0 334.807 3.234 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)cc1C ZINC000842744181 1321427201 /nfs/dbraw/zinc/42/72/01/1321427201.db2.gz PTPXHIFSWYBONL-OAHLLOKOSA-N 1 0 339.439 3.389 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000843046297 1321461155 /nfs/dbraw/zinc/46/11/55/1321461155.db2.gz QZTRXAGVSWBJQY-FZMZJTMJSA-N 1 0 327.266 3.165 20 10 EGCDRO CC[C@H]1CN(Cc2cc(C)cc(Br)c2O)CC[C@@H]1[NH3+] ZINC000843051945 1321462101 /nfs/dbraw/zinc/46/21/01/1321462101.db2.gz JDXSOUNFYQQZQU-FZMZJTMJSA-N 1 0 327.266 3.022 20 10 EGCDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053200 1321462351 /nfs/dbraw/zinc/46/23/51/1321462351.db2.gz YZWJULSYCOSYFW-QWHCGFSZSA-N 1 0 329.410 3.331 20 10 EGCDRO COc1cccc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1O ZINC000843115933 1321472729 /nfs/dbraw/zinc/47/27/29/1321472729.db2.gz GFQDQKOCEXUAIJ-MRXNPFEDSA-N 1 0 332.831 3.201 20 10 EGCDRO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349467 1321503224 /nfs/dbraw/zinc/50/32/24/1321503224.db2.gz ATXJJKQMJPJACY-LBPRGKRZSA-N 1 0 345.393 3.203 20 10 EGCDRO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349484 1321503572 /nfs/dbraw/zinc/50/35/72/1321503572.db2.gz BCUWJCXTRGNAQJ-HOTGVXAUSA-N 1 0 349.478 3.264 20 10 EGCDRO Cc1ccc(N2CC[C@@H](N3CCCc4cc(C[NH3+])ccc43)C2=O)cc1 ZINC000843350529 1321503908 /nfs/dbraw/zinc/50/39/08/1321503908.db2.gz ORVZDERARYRHMV-HXUWFJFHSA-N 1 0 335.451 3.012 20 10 EGCDRO COc1ccc(O)c(CN2CCN(c3c(F)cccc3F)CC2)c1 ZINC000843413027 1321513431 /nfs/dbraw/zinc/51/34/31/1321513431.db2.gz DHDHCPJGPZDYHE-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1O ZINC000843422508 1321516945 /nfs/dbraw/zinc/51/69/45/1321516945.db2.gz WXXHFLFXMBZTLH-LJQANCHMSA-N 1 0 347.842 3.320 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]([NH3+])CC(F)F ZINC000843484308 1321522228 /nfs/dbraw/zinc/52/22/28/1321522228.db2.gz JPBNLXWCBYWAFA-CZUORRHYSA-N 1 0 348.393 3.465 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H](C)CO)CC2)c1O ZINC000844416427 1321604191 /nfs/dbraw/zinc/60/41/91/1321604191.db2.gz OXLJSGXWLNPFEN-NSHDSACASA-N 1 0 325.836 3.089 20 10 EGCDRO CCn1cc(CN(Cc2cc(F)cc(C(C)=O)c2O)C(C)C)cn1 ZINC000844419215 1321604246 /nfs/dbraw/zinc/60/42/46/1321604246.db2.gz XVYNXVHHZGXMSE-UHFFFAOYSA-N 1 0 333.407 3.361 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCn2c(C)nc3ccccc32)c1O ZINC000846139035 1321770592 /nfs/dbraw/zinc/77/05/92/1321770592.db2.gz ZXNXOLCMSYHEBA-ZDUSSCGKSA-N 1 0 325.412 3.410 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)c1O ZINC000846160621 1321773220 /nfs/dbraw/zinc/77/32/20/1321773220.db2.gz ULKCYCMIZYVVGC-YYHKSVKZSA-N 1 0 335.444 3.373 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N2CCOCC2)cc1Cl ZINC000846187879 1321775034 /nfs/dbraw/zinc/77/50/34/1321775034.db2.gz BXTLJJDLOGQABJ-GGBBIFEXSA-N 1 0 336.863 3.147 20 10 EGCDRO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000846472368 1321787744 /nfs/dbraw/zinc/78/77/44/1321787744.db2.gz ITIIIBRRUQTQDV-QGZVFWFLSA-N 1 0 344.842 3.326 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cnc(Cl)c(F)c1 ZINC000846765698 1321806320 /nfs/dbraw/zinc/80/63/20/1321806320.db2.gz DDPDKZWVGCAVRB-UHFFFAOYSA-N 1 0 349.837 3.343 20 10 EGCDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848565002 1321977034 /nfs/dbraw/zinc/97/70/34/1321977034.db2.gz KNXSKSXBJCKHJB-IAGOWNOFSA-N 1 0 325.456 3.200 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1O ZINC000848891328 1322031418 /nfs/dbraw/zinc/03/14/18/1322031418.db2.gz OYEBPLYOKLTYPC-UHFFFAOYSA-N 1 0 331.412 3.270 20 10 EGCDRO CCc1cccc(C[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c1O ZINC000848899421 1322037622 /nfs/dbraw/zinc/03/76/22/1322037622.db2.gz FUKAVPCUZGBIQT-UHFFFAOYSA-N 1 0 340.471 3.120 20 10 EGCDRO CCc1cccc(C[NH2+]CCNc2cc(OC)cc(OC)c2)c1O ZINC000848898492 1322037945 /nfs/dbraw/zinc/03/79/45/1322037945.db2.gz DFJYQBGYSPMKOS-UHFFFAOYSA-N 1 0 330.428 3.174 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000920258865 1322156827 /nfs/dbraw/zinc/15/68/27/1322156827.db2.gz ZLRPOPUTESYJRV-UHFFFAOYSA-N 1 0 337.467 3.277 20 10 EGCDRO COc1cc(C[NH2+]Cc2cccc(CO)c2)c(O)c(C(C)(C)C)c1 ZINC000850122172 1322195051 /nfs/dbraw/zinc/19/50/51/1322195051.db2.gz SHVCJWFRUFKFKK-UHFFFAOYSA-N 1 0 329.440 3.480 20 10 EGCDRO COc1cc(C[NH2+]CCOc2ncccc2F)c(O)c(C(C)(C)C)c1 ZINC000850222150 1322208981 /nfs/dbraw/zinc/20/89/81/1322208981.db2.gz RFVCOJYHPBIYDL-UHFFFAOYSA-N 1 0 348.418 3.401 20 10 EGCDRO COc1cc(C[NH2+]C2(CO)CCSCC2)c(O)c(C(C)(C)C)c1 ZINC000850325239 1322229436 /nfs/dbraw/zinc/22/94/36/1322229436.db2.gz YEGTVLXJJCAZAB-UHFFFAOYSA-N 1 0 339.501 3.046 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850334657 1322229893 /nfs/dbraw/zinc/22/98/93/1322229893.db2.gz QQXOHVBKUYNCAR-INIZCTEOSA-N 1 0 348.487 3.187 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2cccnc2N2CCCC2)cc1F ZINC000850353309 1322232129 /nfs/dbraw/zinc/23/21/29/1322232129.db2.gz ZVUUACQQTHDSEP-UHFFFAOYSA-N 1 0 328.435 3.177 20 10 EGCDRO COc1ccsc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405936 1322240249 /nfs/dbraw/zinc/24/02/49/1322240249.db2.gz LAZJBNDKQOPYFD-UHFFFAOYSA-N 1 0 332.469 3.008 20 10 EGCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406544 1322240457 /nfs/dbraw/zinc/24/04/57/1322240457.db2.gz KWUNCOBVXJYLDM-UHFFFAOYSA-N 1 0 342.487 3.023 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c(O)c1 ZINC000850532864 1322261648 /nfs/dbraw/zinc/26/16/48/1322261648.db2.gz YQWNGTFOZYIYDI-CQSZACIVSA-N 1 0 325.474 3.099 20 10 EGCDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850568263 1322269051 /nfs/dbraw/zinc/26/90/51/1322269051.db2.gz UDSGPAFLCICRPR-WOJBJXKFSA-N 1 0 346.515 3.329 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1O ZINC000850566804 1322269640 /nfs/dbraw/zinc/26/96/40/1322269640.db2.gz SUYXBTGISPGVNS-HNNXBMFYSA-N 1 0 326.440 3.204 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCCO[C@H]2CCCCO2)cc1F ZINC000922230739 1322483464 /nfs/dbraw/zinc/48/34/64/1322483464.db2.gz ITGIGSBRPHREAK-KRWDZBQOSA-N 1 0 328.403 3.054 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CC3(C)C)C2)cc1C ZINC001023941465 1323044663 /nfs/dbraw/zinc/04/46/63/1323044663.db2.gz NGTGRVOPHVXHRI-ROUUACIJSA-N 1 0 344.499 3.378 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)ccc1N1CCCCC1 ZINC000852497217 1323198380 /nfs/dbraw/zinc/19/83/80/1323198380.db2.gz UNXMYWNBPRSKQV-MOPGFXCFSA-N 1 0 341.499 3.086 20 10 EGCDRO CC(C)c1ccccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792670 1323242761 /nfs/dbraw/zinc/24/27/61/1323242761.db2.gz ZFWLYPZALGTGFD-LJQANCHMSA-N 1 0 325.456 3.306 20 10 EGCDRO CC[C@H]([NH2+]C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000852883211 1323250166 /nfs/dbraw/zinc/25/01/66/1323250166.db2.gz UVUVSEQQEJSSKX-YJBOKZPZSA-N 1 0 326.440 3.480 20 10 EGCDRO C/C=C(\C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001024920761 1323783941 /nfs/dbraw/zinc/78/39/41/1323783941.db2.gz XJZSVTFLKAMPPU-LUFMRPCYSA-N 1 0 330.472 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccc(C)o3)C2)cc1C ZINC001026666886 1324962579 /nfs/dbraw/zinc/96/25/79/1324962579.db2.gz RFWLZUWBAIFCJW-KRWDZBQOSA-N 1 0 342.439 3.157 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C=C3CCC3)C2)cc1C ZINC001026771899 1325015196 /nfs/dbraw/zinc/01/51/96/1325015196.db2.gz HVZROPMQOAWYOZ-SFHVURJKSA-N 1 0 328.456 3.052 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCC3(C)C)C2)cc1C ZINC001027009356 1325149209 /nfs/dbraw/zinc/14/92/09/1325149209.db2.gz YUTSMGRWWNVTHX-QZTJIDSGSA-N 1 0 344.499 3.378 20 10 EGCDRO CCC1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001027043375 1325179450 /nfs/dbraw/zinc/17/94/50/1325179450.db2.gz BQRBKGYBBIQTIH-QGZVFWFLSA-N 1 0 330.472 3.132 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1 ZINC000854223068 1325230204 /nfs/dbraw/zinc/23/02/04/1325230204.db2.gz CCVRVVKNAUAVJI-BOFPYLFWSA-N 1 0 344.430 3.336 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000926914188 1327773559 /nfs/dbraw/zinc/77/35/59/1327773559.db2.gz XVDGFEDARHGHMZ-OAHLLOKOSA-N 1 0 346.496 3.049 20 10 EGCDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000927015939 1327821077 /nfs/dbraw/zinc/82/10/77/1327821077.db2.gz HIAVTGDYZRFKIT-GOEBONIOSA-N 1 0 340.895 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)cc1C ZINC000966216430 1328226665 /nfs/dbraw/zinc/22/66/65/1328226665.db2.gz DFGHHXOJQXOVFO-GOSISDBHSA-N 1 0 342.414 3.147 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3C=CCC3)C2)cc1C ZINC000966889700 1328454559 /nfs/dbraw/zinc/45/45/59/1328454559.db2.gz RLMFODDOSUNZHR-SJLPKXTDSA-N 1 0 328.456 3.050 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cccc2n[nH]cc21)C[C@@H]1CCCO1 ZINC000862212495 1329465888 /nfs/dbraw/zinc/46/58/88/1329465888.db2.gz IVFJDQWPZCWIHJ-KRWDZBQOSA-N 1 0 337.423 3.450 20 10 EGCDRO OCCCC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862311125 1329475269 /nfs/dbraw/zinc/47/52/69/1329475269.db2.gz JVANRPRJTWTZNQ-UHFFFAOYSA-N 1 0 328.250 3.139 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1F ZINC000862349127 1329476523 /nfs/dbraw/zinc/47/65/23/1329476523.db2.gz PULUWAQMHFSGQO-CYBMUJFWSA-N 1 0 334.414 3.144 20 10 EGCDRO CCOc1cccc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)c1O ZINC000862537173 1329494014 /nfs/dbraw/zinc/49/40/14/1329494014.db2.gz UMSSOJKYHLHTRC-KRWDZBQOSA-N 1 0 341.407 3.063 20 10 EGCDRO CN(C)c1ccc(F)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865428222 1329696067 /nfs/dbraw/zinc/69/60/67/1329696067.db2.gz QQVWIKPZJRCKPP-UHFFFAOYSA-N 1 0 343.446 3.018 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c1O ZINC000865731678 1329733601 /nfs/dbraw/zinc/73/36/01/1329733601.db2.gz WDIYWZFNKGMQQU-LLVKDONJSA-N 1 0 328.368 3.489 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2ccc(Br)cn2)c1O ZINC000865811091 1329741271 /nfs/dbraw/zinc/74/12/71/1329741271.db2.gz LROQGIULQLGPLZ-UHFFFAOYSA-N 1 0 337.217 3.238 20 10 EGCDRO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(C)cc1O ZINC000866431124 1330111212 /nfs/dbraw/zinc/11/12/12/1330111212.db2.gz IHMSIXZRUIXWFP-CYBMUJFWSA-N 1 0 338.249 3.438 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(Cl)cc1O ZINC000866436753 1330112189 /nfs/dbraw/zinc/11/21/89/1330112189.db2.gz RJMNYASYCPSNLK-QPUJVOFHSA-N 1 0 334.729 3.091 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(C)cc1O ZINC000866436201 1330112294 /nfs/dbraw/zinc/11/22/94/1330112294.db2.gz KMEXLPLPPYOYQD-TZMCWYRMSA-N 1 0 328.338 3.136 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)/C=C(\C)C3CC3)C2)cc1C ZINC001018574246 1339669995 /nfs/dbraw/zinc/66/99/95/1339669995.db2.gz CAIFNNQDDIXRHO-BJRSVTDJSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]cc2C)cc1C ZINC001035124620 1342944344 /nfs/dbraw/zinc/94/43/44/1342944344.db2.gz QYIGGRWHOYXFSW-QGZVFWFLSA-N 1 0 341.455 3.035 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccco3)C[C@@H]2C)cc1C ZINC001035897230 1343256460 /nfs/dbraw/zinc/25/64/60/1343256460.db2.gz HALMDMCMVICTOW-RDJZCZTQSA-N 1 0 342.439 3.237 20 10 EGCDRO CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1CC ZINC001037977369 1344216234 /nfs/dbraw/zinc/21/62/34/1344216234.db2.gz SRWRSVOUJUZDKY-XJKSGUPXSA-N 1 0 345.447 3.089 20 10 EGCDRO CCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CC ZINC001037977362 1344216271 /nfs/dbraw/zinc/21/62/71/1344216271.db2.gz SRWRSVOUJUZDKY-CJNGLKHVSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)/C=C/C2CC2)cc1C ZINC001044974980 1346472796 /nfs/dbraw/zinc/47/27/96/1346472796.db2.gz QCDNRBDROLQBBX-LNENJAERSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C)C2CC2)cc1C ZINC001044978060 1346473326 /nfs/dbraw/zinc/47/33/26/1346473326.db2.gz AMJMUBZLAMGYDX-QAPCUYQASA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C3CCC3)C2)cc1C ZINC001047668330 1347322952 /nfs/dbraw/zinc/32/29/52/1347322952.db2.gz UEOKQDSNNUWWMA-MAUKXSAKSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(CNC(C)=O)cc2)cc1C ZINC001050256288 1348220007 /nfs/dbraw/zinc/22/00/07/1348220007.db2.gz QLUKCFNUBXIKAG-HNNXBMFYSA-N 1 0 326.440 3.491 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)CC3(C)CC3)C[C@H]2C)cc1C ZINC001054915954 1349513091 /nfs/dbraw/zinc/51/30/91/1349513091.db2.gz CJJLFDZKNRVIBO-WBVHZDCISA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(C)(C)C3CC3)C[C@H]2C)cc1C ZINC001054992781 1349542422 /nfs/dbraw/zinc/54/24/22/1349542422.db2.gz WGLGYOCRLXIFFO-QAPCUYQASA-N 1 0 344.499 3.376 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CCOC3)CC2)c1O ZINC001233106600 1376570524 /nfs/dbraw/zinc/57/05/24/1376570524.db2.gz JVMZRDSFSAMSDL-UHFFFAOYSA-N 1 0 340.261 3.466 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c1O ZINC001233106800 1376571069 /nfs/dbraw/zinc/57/10/69/1376571069.db2.gz OHEAJWAHZGBWDF-QMTHXVAHSA-N 1 0 328.250 3.056 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1O ZINC001233110127 1376571239 /nfs/dbraw/zinc/57/12/39/1376571239.db2.gz UUEGWDZQTBNOSL-OAHLLOKOSA-N 1 0 326.234 3.218 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@H]2C)cc1C ZINC001074590254 1356213505 /nfs/dbraw/zinc/21/35/05/1356213505.db2.gz MKONNHULBCHFHV-IIEIJDNYSA-N 1 0 342.483 3.129 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1C ZINC001086174834 1359015456 /nfs/dbraw/zinc/01/54/56/1359015456.db2.gz VIOPOOUIILEWNU-KWCOHSTJSA-N 1 0 342.483 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc(C)co3)C2)cc1C ZINC001086454037 1359101391 /nfs/dbraw/zinc/10/13/91/1359101391.db2.gz OWDJDDPBJASETP-QAQDUYKDSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3CCCC3)C2)cc1C ZINC001090894849 1360947391 /nfs/dbraw/zinc/94/73/91/1360947391.db2.gz QKBHKCJCPTWMHV-UHFFFAOYSA-N 1 0 330.472 3.178 20 10 EGCDRO CCC[C@@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100196506 1364042068 /nfs/dbraw/zinc/04/20/68/1364042068.db2.gz LRTUJPCKDLMXLR-RWBZWWBESA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3(C)CC=CC3)C2)cc1C ZINC001100640621 1364200607 /nfs/dbraw/zinc/20/06/07/1364200607.db2.gz QTFIFIOIKBMJNO-UHFFFAOYSA-N 1 0 342.483 3.344 20 10 EGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001324731635 1387755367 /nfs/dbraw/zinc/75/53/67/1387755367.db2.gz SHILJMMMQPKHSO-KRWDZBQOSA-N 1 0 326.444 3.358 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC001324848830 1387791245 /nfs/dbraw/zinc/79/12/45/1387791245.db2.gz TXNNCAGOGHZAPY-AIANPOQGSA-N 1 0 341.455 3.492 20 10 EGCDRO C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197186868 1368761764 /nfs/dbraw/zinc/76/17/64/1368761764.db2.gz LWCLBBQDGGNZNL-IWHJNQCMSA-N 1 0 346.456 3.330 20 10 EGCDRO C[NH+]1CCN(c2cccc(NC(=S)Nc3cccc(F)c3)c2)CC1 ZINC001197638413 1368860339 /nfs/dbraw/zinc/86/03/39/1368860339.db2.gz NUOZXJSEDKSCBG-UHFFFAOYSA-N 1 0 344.459 3.386 20 10 EGCDRO CN1C(=O)CC2(CC[NH+](Cc3ccccc3O)CC2)c2ccccc21 ZINC001203552640 1370167645 /nfs/dbraw/zinc/16/76/45/1370167645.db2.gz PLSKWIHMCZJMTK-UHFFFAOYSA-N 1 0 336.435 3.293 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)c1O ZINC001203596827 1370182739 /nfs/dbraw/zinc/18/27/39/1370182739.db2.gz NYRFHVNTBRJJEO-AWEZNQCLSA-N 1 0 331.416 3.287 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)c1O ZINC001203596885 1370182853 /nfs/dbraw/zinc/18/28/53/1370182853.db2.gz RMSFUPNYZXMYPM-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO COc1ccc(C[NH+](CCOC(C)C)CCOC(C)C)c(O)c1 ZINC001203628048 1370193200 /nfs/dbraw/zinc/19/32/00/1370193200.db2.gz WPNRBSNGRSGTOY-UHFFFAOYSA-N 1 0 325.449 3.053 20 10 EGCDRO CN1c2ccccc2[C@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001203658424 1370205235 /nfs/dbraw/zinc/20/52/35/1370205235.db2.gz LWQOHPQJVFBAAF-LJQANCHMSA-N 1 0 342.826 3.166 20 10 EGCDRO C[N@H+](Cc1cc(Cl)ccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001203664031 1370207071 /nfs/dbraw/zinc/20/70/71/1370207071.db2.gz MMFZCJGVOHLVAK-UHFFFAOYSA-N 1 0 326.824 3.097 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cccc(C)c3)CC2)c(OC)c1 ZINC001203891930 1370301203 /nfs/dbraw/zinc/30/12/03/1370301203.db2.gz BRCQJLQLUKCREP-UHFFFAOYSA-N 1 0 326.440 3.334 20 10 EGCDRO CN(C)c1ccc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1 ZINC001203934592 1370321321 /nfs/dbraw/zinc/32/13/21/1370321321.db2.gz WZKDXXMPIPBBEI-IRLDBZIGSA-N 1 0 335.495 3.459 20 10 EGCDRO Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937497 1370322068 /nfs/dbraw/zinc/32/20/68/1370322068.db2.gz SNBHVCBGPQFVRA-IBGZPJMESA-N 1 0 325.456 3.499 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(Oc3ccncn3)CC2)cc1 ZINC001203943455 1370324334 /nfs/dbraw/zinc/32/43/34/1370324334.db2.gz CEVXEDJRGUFUIO-UHFFFAOYSA-N 1 0 340.471 3.366 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC001204042434 1370357502 /nfs/dbraw/zinc/35/75/02/1370357502.db2.gz FCZHXUWETMIMEA-UHFFFAOYSA-N 1 0 332.469 3.096 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c2ccccc21 ZINC001204235370 1370418022 /nfs/dbraw/zinc/41/80/22/1370418022.db2.gz NGUUCUVPEUQRMZ-OAQYLSRUSA-N 1 0 337.467 3.008 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCN(c3cncnc3)CC2)c2ccccc21 ZINC001204240149 1370418730 /nfs/dbraw/zinc/41/87/30/1370418730.db2.gz JGQXPHZREZCFGF-UHFFFAOYSA-N 1 0 347.466 3.018 20 10 EGCDRO CC(=O)N1CCC([N@@H+](C)Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204243353 1370419474 /nfs/dbraw/zinc/41/94/74/1370419474.db2.gz YFIRMWQNSGASDQ-UHFFFAOYSA-N 1 0 339.483 3.349 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204276997 1370428990 /nfs/dbraw/zinc/42/89/90/1370428990.db2.gz VHFIUASJAWIVPP-IBGZPJMESA-N 1 0 348.443 3.073 20 10 EGCDRO C[C@@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1[NH3+] ZINC001205888976 1370901736 /nfs/dbraw/zinc/90/17/36/1370901736.db2.gz MJNRUPIHAWMXDR-BEFAXECRSA-N 1 0 326.440 3.140 20 10 EGCDRO [NH3+][C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1F ZINC001206188951 1370986846 /nfs/dbraw/zinc/98/68/46/1370986846.db2.gz WLGLPCOBYXCJGA-RBUKOAKNSA-N 1 0 344.430 3.232 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206371306 1371036152 /nfs/dbraw/zinc/03/61/52/1371036152.db2.gz SIBBIYDWCJXETK-HNNXBMFYSA-N 1 0 345.256 3.116 20 10 EGCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC001207366163 1371375131 /nfs/dbraw/zinc/37/51/31/1371375131.db2.gz OFAJGUYYNWCJFB-QGZVFWFLSA-N 1 0 332.488 3.413 20 10 EGCDRO COc1ccc(C[NH2+]C2(c3nccs3)CCCC2)c(O)c1OC ZINC001119947906 1371430151 /nfs/dbraw/zinc/43/01/51/1371430151.db2.gz AZIAIPYWVLFUOL-UHFFFAOYSA-N 1 0 334.441 3.425 20 10 EGCDRO COc1ccc(CC[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1OC ZINC001208759275 1371885842 /nfs/dbraw/zinc/88/58/42/1371885842.db2.gz SXVBYRMSLNMOPF-UHFFFAOYSA-N 1 0 343.423 3.106 20 10 EGCDRO COCC[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001209214909 1372040403 /nfs/dbraw/zinc/04/04/03/1372040403.db2.gz WYIDFKPGCZLVNG-UHFFFAOYSA-N 1 0 337.423 3.263 20 10 EGCDRO COc1cc(O)c(CN2CC[NH2+][C@H](Cc3ccccc3)C2)cc1Cl ZINC001210356699 1372331232 /nfs/dbraw/zinc/33/12/32/1372331232.db2.gz PGJLWDLYQGJMCE-MRXNPFEDSA-N 1 0 346.858 3.071 20 10 EGCDRO c1ccc(N2CCC[C@H](Oc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001218304827 1373591815 /nfs/dbraw/zinc/59/18/15/1373591815.db2.gz MIYREJPGGBAHSS-NRFANRHFSA-N 1 0 337.467 3.144 20 10 EGCDRO CC1(C)C[C@@H](Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218479446 1373622089 /nfs/dbraw/zinc/62/20/89/1373622089.db2.gz WBRNQQVGBSGIKJ-AWEZNQCLSA-N 1 0 335.403 3.371 20 10 EGCDRO Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC001219205307 1373694586 /nfs/dbraw/zinc/69/45/86/1373694586.db2.gz BJCODXFNHCEQKQ-XDXNWAHNSA-N 1 0 338.411 3.238 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC001326800978 1388314634 /nfs/dbraw/zinc/31/46/34/1388314634.db2.gz PSRQQBWQYOFWSQ-UKRRQHHQSA-N 1 0 335.407 3.047 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC001326971549 1388359526 /nfs/dbraw/zinc/35/95/26/1388359526.db2.gz XVUQKFDXMKHWHB-KHYOSLBOSA-N 1 0 330.472 3.486 20 10 EGCDRO C[N@H+](CCC1OCCO1)Cc1ccc(OCc2ccccc2)cc1O ZINC001231470283 1376248205 /nfs/dbraw/zinc/24/82/05/1376248205.db2.gz SUNHNGFUYMGKCL-UHFFFAOYSA-N 1 0 343.423 3.166 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2=COCCC2)cc1C ZINC001133920007 1376264009 /nfs/dbraw/zinc/26/40/09/1376264009.db2.gz AHPFQRAXDPGEFK-HZPDHXFCSA-N 1 0 346.471 3.071 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1O ZINC001231592205 1376273151 /nfs/dbraw/zinc/27/31/51/1376273151.db2.gz FYGIKIZUAMCDSW-WBVHZDCISA-N 1 0 340.423 3.030 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)c1O ZINC001231592212 1376273792 /nfs/dbraw/zinc/27/37/92/1376273792.db2.gz GHPUELFBGOYICI-RTBURBONSA-N 1 0 338.451 3.324 20 10 EGCDRO COc1cc(C[NH+]2CCC3(Cc4ccccc4O3)CC2)c(O)cc1O ZINC001231637574 1376288899 /nfs/dbraw/zinc/28/88/99/1376288899.db2.gz NADVUVHODRKQIH-UHFFFAOYSA-N 1 0 341.407 3.076 20 10 EGCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231910384 1376345749 /nfs/dbraw/zinc/34/57/49/1376345749.db2.gz NPGWGCMZKFPORZ-UHFFFAOYSA-N 1 0 331.799 3.391 20 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[NH3+][C@@H]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC1(F)F ZINC001235912314 1376917380 /nfs/dbraw/zinc/91/73/80/1376917380.db2.gz CFPUWYQPCKXRCX-QGZVFWFLSA-N 1 0 336.357 3.367 20 10 EGCDRO CN1CCCc2cc(CN3CC[NH2+]C[C@H]3c3cccs3)ccc21 ZINC001236114461 1376933429 /nfs/dbraw/zinc/93/34/29/1376933429.db2.gz LKOFUWXAPQZZNK-SFHVURJKSA-N 1 0 327.497 3.277 20 10 EGCDRO Oc1cc(Cl)c(F)cc1CN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC001236129032 1376934399 /nfs/dbraw/zinc/93/43/99/1376934399.db2.gz NMFQIDJHJJEECL-INIZCTEOSA-N 1 0 338.785 3.470 20 10 EGCDRO [NH3+]CCN(Cc1ccccc1)Cc1cccc(OC(F)(F)F)c1O ZINC001236524055 1376956102 /nfs/dbraw/zinc/95/61/02/1376956102.db2.gz MNWWLKKGSIFTDN-UHFFFAOYSA-N 1 0 340.345 3.252 20 10 EGCDRO C[C@H]1C[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)CC[C@H]2O1 ZINC001237052784 1376971383 /nfs/dbraw/zinc/97/13/83/1376971383.db2.gz VBVYGHRGCQZKDG-DETPVDSQSA-N 1 0 345.361 3.333 20 10 EGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001237053704 1376971483 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CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137831499 1377624064 /nfs/dbraw/zinc/62/40/64/1377624064.db2.gz BUMLMGABRFPRCE-ZDUSSCGKSA-N 1 0 338.423 3.411 20 10 EGCDRO c1cnc(O[C@@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)nc1 ZINC001138222028 1377690698 /nfs/dbraw/zinc/69/06/98/1377690698.db2.gz BRPWHKAIUOPLMI-LJQANCHMSA-N 1 0 338.455 3.120 20 10 EGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219476 1377690838 /nfs/dbraw/zinc/69/08/38/1377690838.db2.gz BYDDBRPSKNJVQW-HXUWFJFHSA-N 1 0 330.472 3.452 20 10 EGCDRO Oc1c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc2c3c1CCCN3CCC2 ZINC001138340391 1377705317 /nfs/dbraw/zinc/70/53/17/1377705317.db2.gz OXSXZZHSILQSFQ-OAQYLSRUSA-N 1 0 342.483 3.094 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc2c3c1CCCN3CCC2 ZINC001138339812 1377705887 /nfs/dbraw/zinc/70/58/87/1377705887.db2.gz KZZCJAFKIOALHY-OAQYLSRUSA-N 1 0 342.483 3.094 20 10 EGCDRO CN1CCCc2cc(C[N@@H+]3CCCC[C@@](O)(C(F)(F)F)C3)ccc21 ZINC001138354809 1377708455 /nfs/dbraw/zinc/70/84/55/1377708455.db2.gz VUTXMZQYOUYKKR-KRWDZBQOSA-N 1 0 342.405 3.348 20 10 EGCDRO CN1CCCc2cc(C[NH+]3CC(CNC(=O)OC(C)(C)C)C3)ccc21 ZINC001138354425 1377708756 /nfs/dbraw/zinc/70/87/56/1377708756.db2.gz JLJYKUOHFVJAHT-UHFFFAOYSA-N 1 0 345.487 3.026 20 10 EGCDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(F)c1F ZINC001139410765 1377880453 /nfs/dbraw/zinc/88/04/53/1377880453.db2.gz COYGCYFVYWHCHY-UHFFFAOYSA-N 1 0 345.437 3.349 20 10 EGCDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139672378 1377930869 /nfs/dbraw/zinc/93/08/69/1377930869.db2.gz WAWMCIGMPQZTMO-IBGZPJMESA-N 1 0 346.515 3.326 20 10 EGCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139670866 1377930870 /nfs/dbraw/zinc/93/08/70/1377930870.db2.gz BQTUILVVSKESGJ-PMACEKPBSA-N 1 0 332.488 3.079 20 10 EGCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139673536 1377931720 /nfs/dbraw/zinc/93/17/20/1377931720.db2.gz JKFUBDPAIIUHFR-UHFFFAOYSA-N 1 0 346.519 3.077 20 10 EGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140055158 1377996859 /nfs/dbraw/zinc/99/68/59/1377996859.db2.gz MEYVQCOUHJPRMO-CYBMUJFWSA-N 1 0 338.423 3.220 20 10 EGCDRO CO[C@H](C[NH+]1CCN(Cc2cc(F)ccc2O)CC1)c1ccccc1 ZINC001140058959 1377998160 /nfs/dbraw/zinc/99/81/60/1377998160.db2.gz QVIQYCWSYWLZNR-HXUWFJFHSA-N 1 0 344.430 3.037 20 10 EGCDRO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140059942 1377998380 /nfs/dbraw/zinc/99/83/80/1377998380.db2.gz BTLGYRIQNONRIN-HNNXBMFYSA-N 1 0 335.419 3.477 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c1O ZINC001140179364 1378026253 /nfs/dbraw/zinc/02/62/53/1378026253.db2.gz JCCVSHUQBWIQAI-YLJYHZDGSA-N 1 0 331.456 3.169 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1O ZINC001140178975 1378026667 /nfs/dbraw/zinc/02/66/67/1378026667.db2.gz AHOOXDUZEPSMCB-CVEARBPZSA-N 1 0 346.471 3.450 20 10 EGCDRO Cc1ccc(C)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001140181195 1378027190 /nfs/dbraw/zinc/02/71/90/1378027190.db2.gz POFGBQATPVYFSQ-HNNXBMFYSA-N 1 0 334.460 3.450 20 10 EGCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3c(C)ccc(C)c3O)C2)nc1 ZINC001140185455 1378027784 /nfs/dbraw/zinc/02/77/84/1378027784.db2.gz VZQXRLOLVUVGKA-MRXNPFEDSA-N 1 0 328.412 3.066 20 10 EGCDRO CCCOC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140286891 1378040966 /nfs/dbraw/zinc/04/09/66/1378040966.db2.gz VFTAKQPLSSYQOF-UHFFFAOYSA-N 1 0 332.488 3.039 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CCC4(CC(F)C4)CC3)cc2)CC1 ZINC001140283414 1378041101 /nfs/dbraw/zinc/04/11/01/1378041101.db2.gz TVUMAGONCZPTRV-UHFFFAOYSA-N 1 0 332.463 3.362 20 10 EGCDRO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC001140341549 1378049336 /nfs/dbraw/zinc/04/93/36/1378049336.db2.gz VNQMYCLDCUHOCR-UHFFFAOYSA-N 1 0 340.851 3.392 20 10 EGCDRO Cc1cc(OC2CC[NH+](Cc3c(O)cccc3Cl)CC2)ncn1 ZINC001140342380 1378050279 /nfs/dbraw/zinc/05/02/79/1378050279.db2.gz HCMAKTBRYOCAQA-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1cccc(OC2CC[NH+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001140464121 1378066465 /nfs/dbraw/zinc/06/64/65/1378066465.db2.gz CCCKECODHDOZPY-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001140462459 1378067416 /nfs/dbraw/zinc/06/74/16/1378067416.db2.gz GUJCEXPCXCMJQA-OLZOCXBDSA-N 1 0 341.732 3.273 20 10 EGCDRO Oc1cc(Cl)ccc1CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001140468650 1378069192 /nfs/dbraw/zinc/06/91/92/1378069192.db2.gz SNSVFJNNGVGFSV-HOTGVXAUSA-N 1 0 326.843 3.444 20 10 EGCDRO CC(C)=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001272618698 1378076640 /nfs/dbraw/zinc/07/66/40/1378076640.db2.gz NHLTXFFNIWWMOS-HXUWFJFHSA-N 1 0 328.456 3.315 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1 ZINC001140619908 1378099501 /nfs/dbraw/zinc/09/95/01/1378099501.db2.gz URYOYWBJCIPVTH-BPUTZDHNSA-N 1 0 332.444 3.188 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)c1 ZINC001140619705 1378099567 /nfs/dbraw/zinc/09/95/67/1378099567.db2.gz LMTOVCNCRQVDIW-IAGOWNOFSA-N 1 0 328.481 3.326 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001140624530 1378100388 /nfs/dbraw/zinc/10/03/88/1378100388.db2.gz ZZAAIRACQGXXBK-OAHLLOKOSA-N 1 0 340.398 3.070 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001140621778 1378100408 /nfs/dbraw/zinc/10/04/08/1378100408.db2.gz OXMBGGAZSSCAEI-AZUAARDMSA-N 1 0 331.456 3.251 20 10 EGCDRO COc1ccc(OC2CC[NH+](Cc3cc(C)ccc3O)CC2)nc1 ZINC001140624434 1378100446 /nfs/dbraw/zinc/10/04/46/1378100446.db2.gz WIOKBDUTFBRSEF-UHFFFAOYSA-N 1 0 328.412 3.148 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(N3Cc4ccccc4C3=O)CC2)c1 ZINC001140624421 1378100514 /nfs/dbraw/zinc/10/05/14/1378100514.db2.gz WBKGMGQOZBYAEY-UHFFFAOYSA-N 1 0 336.435 3.321 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](CC(C)(C)C)C3)C2=O)cc1 ZINC001273534979 1378103310 /nfs/dbraw/zinc/10/33/10/1378103310.db2.gz PUVUQFLJXLGVTH-NRFANRHFSA-N 1 0 343.515 3.223 20 10 EGCDRO CCOc1ccccc1N1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140742765 1378128507 /nfs/dbraw/zinc/12/85/07/1378128507.db2.gz YGZQVMCKTFMQSG-UHFFFAOYSA-N 1 0 342.439 3.127 20 10 EGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)cc1C ZINC001140742706 1378128523 /nfs/dbraw/zinc/12/85/23/1378128523.db2.gz WDCCDVWHFANTRE-UHFFFAOYSA-N 1 0 326.440 3.345 20 10 EGCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140748262 1378129016 /nfs/dbraw/zinc/12/90/16/1378129016.db2.gz IODHVFMHXDBTNS-KRWDZBQOSA-N 1 0 349.471 3.061 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1O ZINC001140748774 1378129039 /nfs/dbraw/zinc/12/90/39/1378129039.db2.gz JQYNFKOOKJHQFN-UHFFFAOYSA-N 1 0 349.434 3.277 20 10 EGCDRO Cc1c(O)ccc(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)c1O ZINC001140747375 1378129136 /nfs/dbraw/zinc/12/91/36/1378129136.db2.gz ASRDAUUMUBEASY-MRXNPFEDSA-N 1 0 326.440 3.285 20 10 EGCDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(O)c(C)c1O ZINC001140748430 1378129151 /nfs/dbraw/zinc/12/91/51/1378129151.db2.gz ZVVBULSIEANWKF-UHFFFAOYSA-N 1 0 338.448 3.095 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1 ZINC001140948320 1378188342 /nfs/dbraw/zinc/18/83/42/1378188342.db2.gz DLYWMCFGAUCFIN-MRXNPFEDSA-N 1 0 332.444 3.190 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(O)c1 ZINC001140947930 1378188610 /nfs/dbraw/zinc/18/86/10/1378188610.db2.gz LWAUGVUCYZDGTQ-WBVHZDCISA-N 1 0 346.471 3.389 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)c(O)c1 ZINC001140954289 1378191203 /nfs/dbraw/zinc/19/12/03/1378191203.db2.gz ORSOYXATCWZLRP-KRWDZBQOSA-N 1 0 337.423 3.323 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001140954318 1378191461 /nfs/dbraw/zinc/19/14/61/1378191461.db2.gz QBKMGUGCHYNEKE-BHYGNILZSA-N 1 0 346.471 3.436 20 10 EGCDRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)c(O)c1 ZINC001140952466 1378192274 /nfs/dbraw/zinc/19/22/74/1378192274.db2.gz STJCVWLVCCBODS-QGZVFWFLSA-N 1 0 339.439 3.029 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(c3cccc(O)c3)CC2)c(OC)c1 ZINC001141030970 1378214004 /nfs/dbraw/zinc/21/40/04/1378214004.db2.gz SMBCRPHINYTVBW-UHFFFAOYSA-N 1 0 343.423 3.495 20 10 EGCDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078499 1378234175 /nfs/dbraw/zinc/23/41/75/1378234175.db2.gz YIPFOABMWWCMOP-SFHVURJKSA-N 1 0 330.472 3.015 20 10 EGCDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141158467 1378253850 /nfs/dbraw/zinc/25/38/50/1378253850.db2.gz AMGHWHXEPAJOIA-MRXNPFEDSA-N 1 0 329.396 3.150 20 10 EGCDRO Oc1ccc(O)c(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)c1 ZINC001141159283 1378254557 /nfs/dbraw/zinc/25/45/57/1378254557.db2.gz CDEFZTNIIJWPGS-UHFFFAOYSA-N 1 0 325.408 3.279 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC001142520451 1378452464 /nfs/dbraw/zinc/45/24/64/1378452464.db2.gz JTRWEBAUVPDSNC-UHFFFAOYSA-N 1 0 332.394 3.378 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001142524839 1378453229 /nfs/dbraw/zinc/45/32/29/1378453229.db2.gz MTRHBDFBDTXKAV-HOTGVXAUSA-N 1 0 330.378 3.129 20 10 EGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001142624797 1378465859 /nfs/dbraw/zinc/46/58/59/1378465859.db2.gz LUIRNYOKAINOEI-UHFFFAOYSA-N 1 0 328.412 3.298 20 10 EGCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC[C@@]1(C)c1cccc(O)c1 ZINC001144514921 1378739993 /nfs/dbraw/zinc/73/99/93/1378739993.db2.gz XTEVDCZRHJSWQI-RNODOKPDSA-N 1 0 343.423 3.309 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(c3ccc(F)cc3F)CC2)c(O)c1 ZINC001144520505 1378740186 /nfs/dbraw/zinc/74/01/86/1378740186.db2.gz SOVFVWOTKSUMQR-UHFFFAOYSA-N 1 0 335.350 3.461 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc3ccncc32)cc1C ZINC001146356521 1378825589 /nfs/dbraw/zinc/82/55/89/1378825589.db2.gz YHLYJQUKUBUVPY-UHFFFAOYSA-N 1 0 349.434 3.071 20 10 EGCDRO C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146663337 1378893505 /nfs/dbraw/zinc/89/35/05/1378893505.db2.gz LBZSRQALMIKNKF-QWHCGFSZSA-N 1 0 345.447 3.136 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2sccc2C2CC2)cc1C ZINC001150045318 1379488647 /nfs/dbraw/zinc/48/86/47/1379488647.db2.gz XJTJYHRDLKXPIM-UHFFFAOYSA-N 1 0 344.480 3.462 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)CCCc2cccs2)cc1C ZINC001150308604 1379530489 /nfs/dbraw/zinc/53/04/89/1379530489.db2.gz FMRIGYPNMVEZET-UHFFFAOYSA-N 1 0 346.496 3.294 20 10 EGCDRO Cc1ccc(Cl)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156656078 1380605496 /nfs/dbraw/zinc/60/54/96/1380605496.db2.gz NZRBGBXDZBVRJR-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001161130007 1382312275 /nfs/dbraw/zinc/31/22/75/1382312275.db2.gz LOIBWRHEGWYRRV-UHFFFAOYSA-N 1 0 330.428 3.069 20 10 EGCDRO C/C=C(\C)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001164009806 1383146104 /nfs/dbraw/zinc/14/61/04/1383146104.db2.gz TYOABTFSAZDHOA-PJQLUOCWSA-N 1 0 330.472 3.346 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C3CC(C)C3)CC2)cc1C ZINC001164032992 1383148512 /nfs/dbraw/zinc/14/85/12/1383148512.db2.gz RSCGWLVIBONULV-UHFFFAOYSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)CC(F)(F)F)cc1C ZINC001165747966 1383337841 /nfs/dbraw/zinc/33/78/41/1383337841.db2.gz AOGUZUACFSRMRU-ZDUSSCGKSA-N 1 0 346.393 3.188 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@]23C[C@@H]2CCCC3)cc1C ZINC001166226107 1383404419 /nfs/dbraw/zinc/40/44/19/1383404419.db2.gz ZJCLUHAHVZQIMT-PXNSSMCTSA-N 1 0 330.472 3.180 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ncc4ccsc4n3)cc2)CC1 ZINC001167423315 1383630298 /nfs/dbraw/zinc/63/02/98/1383630298.db2.gz VLANUEZOGQESKW-UHFFFAOYSA-N 1 0 339.468 3.055 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cccc4cc(N)cnc43)cc2)CC1 ZINC001167437650 1383634349 /nfs/dbraw/zinc/63/43/49/1383634349.db2.gz XJTISYGISGUGLR-UHFFFAOYSA-N 1 0 347.466 3.181 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C(C)C)no2)cc1C ZINC001167619445 1383690466 /nfs/dbraw/zinc/69/04/66/1383690466.db2.gz CEWWNAJYNJXHIM-UHFFFAOYSA-N 1 0 345.443 3.025 20 10 EGCDRO COc1ccc2c(c1)C[C@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001168288565 1383864613 /nfs/dbraw/zinc/86/46/13/1383864613.db2.gz NHVGCKSVRCHHOE-QGZVFWFLSA-N 1 0 325.408 3.022 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1C(=O)OC(C)(C)C ZINC001168812653 1384015885 /nfs/dbraw/zinc/01/58/85/1384015885.db2.gz RUWDOTOVSFKLLL-BBRMVZONSA-N 1 0 332.444 3.109 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@]2(C)C(C)C)cc1C ZINC001169766268 1384184274 /nfs/dbraw/zinc/18/42/74/1384184274.db2.gz PMPDLGQKBRWLCG-FXAWDEMLSA-N 1 0 332.488 3.282 20 10 EGCDRO O=C(C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)c1ccc(O)c(O)c1 ZINC001170907226 1384408790 /nfs/dbraw/zinc/40/87/90/1384408790.db2.gz IDKMFJZHMBUFPT-CYBMUJFWSA-N 1 0 331.799 3.081 20 10 EGCDRO Fc1cccc2c1C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001170948527 1384416688 /nfs/dbraw/zinc/41/66/88/1384416688.db2.gz IBZIEKFVYIVVMS-GOSISDBHSA-N 1 0 340.442 3.309 20 10 EGCDRO Oc1ccc(Br)cc1CNc1cccc2c1C[NH2+]CC2 ZINC001171178305 1384461433 /nfs/dbraw/zinc/46/14/33/1384461433.db2.gz WDGXPZQSHJTVAW-UHFFFAOYSA-N 1 0 333.229 3.413 20 10 EGCDRO CCc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001171278338 1384483875 /nfs/dbraw/zinc/48/38/75/1384483875.db2.gz GFDXHRGWMGXJQR-UHFFFAOYSA-N 1 0 344.455 3.377 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001171640881 1384589851 /nfs/dbraw/zinc/58/98/51/1384589851.db2.gz DRRZHWBUJCOLHT-UHFFFAOYSA-N 1 0 345.487 3.336 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC001329037501 1388940157 /nfs/dbraw/zinc/94/01/57/1388940157.db2.gz VFUGXVIROZPGCI-SFHVURJKSA-N 1 0 330.472 3.105 20 10 EGCDRO CC(C)OC(=O)CC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001172763668 1384846723 /nfs/dbraw/zinc/84/67/23/1384846723.db2.gz NOQDOIQMNHXCBE-QGZVFWFLSA-N 1 0 348.487 3.075 20 10 EGCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(O)c1O)CC2 ZINC001172901491 1384874314 /nfs/dbraw/zinc/87/43/14/1384874314.db2.gz ITYIBJBUZWEJSW-HNNXBMFYSA-N 1 0 328.368 3.043 20 10 EGCDRO CCOC(=O)[C@@H]1CC12CCC([NH2+]Cc1ccc(N(C)C)cc1)CC2 ZINC001173602619 1384985557 /nfs/dbraw/zinc/98/55/57/1384985557.db2.gz ASFGHFDWBCHXGS-IPCDKGFNSA-N 1 0 330.472 3.354 20 10 EGCDRO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCc3cccc(O)c3C1)CC2 ZINC001173623406 1384990739 /nfs/dbraw/zinc/99/07/39/1384990739.db2.gz PJNWKSMIMJUXKG-CMVHYPBASA-N 1 0 329.440 3.262 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC001317859585 1385542633 /nfs/dbraw/zinc/54/26/33/1385542633.db2.gz OWGMTAADAOCKKX-UHFFFAOYSA-N 1 0 346.519 3.160 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC001320257456 1386564531 /nfs/dbraw/zinc/56/45/31/1386564531.db2.gz ANHZXTMQPFYDMO-SUMWQHHRSA-N 1 0 336.435 3.325 20 10 EGCDRO Clc1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)s1 ZINC001320368800 1386590296 /nfs/dbraw/zinc/59/02/96/1386590296.db2.gz CNQCBATVFXHUNS-MRVPVSSYSA-N 1 0 341.893 3.341 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(N2CCCC2)CCOCC1 ZINC001320410733 1386602698 /nfs/dbraw/zinc/60/26/98/1386602698.db2.gz GHKBJOKAEFXRQO-DLBZAZTESA-N 1 0 344.499 3.484 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129876 1386706072 /nfs/dbraw/zinc/70/60/72/1386706072.db2.gz LHICBWRSNPJMMX-RTGRKSDTSA-N 1 0 329.488 3.147 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC001321023529 1386786491 /nfs/dbraw/zinc/78/64/91/1386786491.db2.gz NNCHVNDPARTHMN-GDBMZVCRSA-N 1 0 342.439 3.459 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)ccc1O ZINC001321027032 1386787423 /nfs/dbraw/zinc/78/74/23/1386787423.db2.gz ICAHJKPINALYLD-YOEHRIQHSA-N 1 0 342.414 3.487 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182015829 1387094490 /nfs/dbraw/zinc/09/44/90/1387094490.db2.gz QSPSGKGOTLTUHF-LPHOPBHVSA-N 1 0 342.483 3.090 20 10 EGCDRO COc1cccc(Cl)c1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001333766544 1390396973 /nfs/dbraw/zinc/39/69/73/1390396973.db2.gz HNJRAASEMHNBHL-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)cc2)CC1 ZINC001347825583 1391130731 /nfs/dbraw/zinc/13/07/31/1391130731.db2.gz BVYWVCLYSJTIJN-GHTZIAJQSA-N 1 0 344.499 3.303 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C(C)(F)F)cc1C ZINC001714490074 1419213744 /nfs/dbraw/zinc/21/37/44/1419213744.db2.gz XLROBMPHLAOERQ-UONOGXRCSA-N 1 0 342.430 3.279 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc(C)[nH]c2C)cc1C ZINC001753715476 1440471776 /nfs/dbraw/zinc/47/17/76/1440471776.db2.gz YAHPDFDAKPBFEF-OAHLLOKOSA-N 1 0 343.471 3.199 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC23CC3)cc1C ZINC001754139146 1440544037 /nfs/dbraw/zinc/54/40/37/1440544037.db2.gz WYPGVDUETLQQEU-JXCVUKRWSA-N 1 0 342.483 3.346 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2CCC(F)CC2)cc1C ZINC001754166357 1440546523 /nfs/dbraw/zinc/54/65/23/1440546523.db2.gz KBPCMRNQSBSXJG-ONEGZZNKSA-N 1 0 348.462 3.294 20 10 EGCDRO CCc1ccc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001754253101 1440558561 /nfs/dbraw/zinc/55/85/61/1440558561.db2.gz XJAPCLXLYVDCRK-MRXNPFEDSA-N 1 0 340.467 3.474 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)C3CCCCC3)CC2)cc1C ZINC001754507427 1440616854 /nfs/dbraw/zinc/61/68/54/1440616854.db2.gz FCYQEAVXVCTQRZ-UHFFFAOYSA-N 1 0 330.472 3.322 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)C3CC3)CCC2)cc1C ZINC001754979352 1440720853 /nfs/dbraw/zinc/72/08/53/1440720853.db2.gz MXGXXAAIWUDUAI-HNNXBMFYSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cncs2)cc1C ZINC001755499521 1440862560 /nfs/dbraw/zinc/86/25/60/1440862560.db2.gz QOONJBJPMZWWSN-AWEZNQCLSA-N 1 0 347.484 3.148 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001755567090 1440876022 /nfs/dbraw/zinc/87/60/22/1440876022.db2.gz HRNBALRXUQRDBO-BHIYHBOVSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2C)C(C)(C)C)cc1C ZINC001755830331 1440928547 /nfs/dbraw/zinc/92/85/47/1440928547.db2.gz MBEBMPZKNOVUBB-MZMPZRCHSA-N 1 0 332.488 3.280 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001593197710 994164886 /nfs/dbraw/zinc/16/48/86/994164886.db2.gz KXVBDSDJTKEORN-IJEWVQPXSA-N 1 0 346.471 3.394 20 10 EGCDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000865715725 1126115291 /nfs/dbraw/zinc/11/52/91/1126115291.db2.gz CSEBJJSVFYUCDZ-GOSISDBHSA-N 1 0 335.831 3.138 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1C ZINC000054471300 214239609 /nfs/dbraw/zinc/23/96/09/214239609.db2.gz OTTDFBODUGTISW-HNNXBMFYSA-N 1 0 344.499 3.480 20 10 EGCDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(N3CCCCC3)cc2)N1 ZINC000007127092 283410339 /nfs/dbraw/zinc/41/03/39/283410339.db2.gz QRJWICZIBWXUCM-SFHVURJKSA-N 1 0 346.438 3.123 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1O ZINC000289186301 456117062 /nfs/dbraw/zinc/11/70/62/456117062.db2.gz AOYPJTNGXFZGMZ-RYUDHWBXSA-N 1 0 328.250 3.225 20 10 EGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCOC1 ZINC000157717018 455223842 /nfs/dbraw/zinc/22/38/42/455223842.db2.gz PGAPCAONNOSYGP-KBPBESRZSA-N 1 0 340.414 3.271 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000238101899 455253965 /nfs/dbraw/zinc/25/39/65/455253965.db2.gz NMDOFSHAYIWENL-GOSISDBHSA-N 1 0 346.858 3.209 20 10 EGCDRO COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183941373 455341553 /nfs/dbraw/zinc/34/15/53/455341553.db2.gz IVGPTHYLBWTSIG-HNNXBMFYSA-N 1 0 338.467 3.376 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000015571712 453576951 /nfs/dbraw/zinc/57/69/51/453576951.db2.gz ORLKYHLAFNUKCI-UHFFFAOYSA-N 1 0 341.411 3.063 20 10 EGCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC000054510151 453932665 /nfs/dbraw/zinc/93/26/65/453932665.db2.gz UDKNBGDTDHIBRI-SFHVURJKSA-N 1 0 346.519 3.016 20 10 EGCDRO COc1cccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1O ZINC000076272165 453985308 /nfs/dbraw/zinc/98/53/08/453985308.db2.gz ONSROLDQESGQGD-UHFFFAOYSA-N 1 0 326.440 3.155 20 10 EGCDRO CCc1nsc(N2CCC[N@H+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000266432503 455429006 /nfs/dbraw/zinc/42/90/06/455429006.db2.gz IYLBUCLAWMUQTB-UHFFFAOYSA-N 1 0 346.500 3.135 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1 ZINC000089629589 454170358 /nfs/dbraw/zinc/17/03/58/454170358.db2.gz XKYJEVSVRZSVRA-CQSZACIVSA-N 1 0 326.506 3.007 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119372926 454190977 /nfs/dbraw/zinc/19/09/77/454190977.db2.gz KHOGTMOURPPJIX-GOEBONIOSA-N 1 0 336.451 3.271 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccnc1OCC(F)F ZINC000132563805 454348336 /nfs/dbraw/zinc/34/83/36/454348336.db2.gz KIUSICFOOMIJEX-UHFFFAOYSA-N 1 0 328.746 3.374 20 10 EGCDRO C[C@@H]1OCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000120868272 454359220 /nfs/dbraw/zinc/35/92/20/454359220.db2.gz BNEHPWZTSNYBKJ-BLLLJJGKSA-N 1 0 326.387 3.024 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132825114 454368902 /nfs/dbraw/zinc/36/89/02/454368902.db2.gz DIVOBOGTHULUJX-ROUUACIJSA-N 1 0 345.531 3.294 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1F ZINC000091795063 454473298 /nfs/dbraw/zinc/47/32/98/454473298.db2.gz MLNBSAKEPYJFLO-UHFFFAOYSA-N 1 0 345.466 3.180 20 10 EGCDRO c1cn(CC2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)nn1 ZINC000092097997 454521223 /nfs/dbraw/zinc/52/12/23/454521223.db2.gz BLSOELFSTPGTAW-UHFFFAOYSA-N 1 0 339.487 3.181 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000092758747 454627525 /nfs/dbraw/zinc/62/75/25/454627525.db2.gz YQMPFMSVDXVUEL-UHFFFAOYSA-N 1 0 344.499 3.447 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000093388068 454709746 /nfs/dbraw/zinc/70/97/46/454709746.db2.gz UWKBOMSZCLCPGC-LJQANCHMSA-N 1 0 327.424 3.273 20 10 EGCDRO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)Cc1ccccc1O ZINC000109769493 454835136 /nfs/dbraw/zinc/83/51/36/454835136.db2.gz VGKYNEAYFOEBBL-HILYYZTDSA-N 1 0 342.483 3.298 20 10 EGCDRO C[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccc1O ZINC000109772939 454835528 /nfs/dbraw/zinc/83/55/28/454835528.db2.gz WIBJEGLKCQVKGZ-UHFFFAOYSA-N 1 0 332.831 3.184 20 10 EGCDRO C[C@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109769542 454835578 /nfs/dbraw/zinc/83/55/78/454835578.db2.gz QKZYWSIVJULJKG-CVEARBPZSA-N 1 0 326.440 3.132 20 10 EGCDRO C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000109770533 454835898 /nfs/dbraw/zinc/83/58/98/454835898.db2.gz IVVCFTFSAMBUHG-ZDUSSCGKSA-N 1 0 332.831 3.355 20 10 EGCDRO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109771403 454836017 /nfs/dbraw/zinc/83/60/17/454836017.db2.gz NYPYKYNLTYRXCJ-UHFFFAOYSA-N 1 0 326.396 3.055 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000125659687 454837865 /nfs/dbraw/zinc/83/78/65/454837865.db2.gz KSONNPYGRRLTIZ-UHFFFAOYSA-N 1 0 340.452 3.028 20 10 EGCDRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000163424548 454846411 /nfs/dbraw/zinc/84/64/11/454846411.db2.gz CYALXIFCUQFZDG-INIZCTEOSA-N 1 0 331.504 3.440 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CSCCS3)CC2)cc1 ZINC000165749119 454903995 /nfs/dbraw/zinc/90/39/95/454903995.db2.gz ZZUNJIBXYWTUGV-QGZVFWFLSA-N 1 0 338.542 3.102 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000151072562 454933344 /nfs/dbraw/zinc/93/33/44/454933344.db2.gz SHBDLGMTSABIOC-OAHLLOKOSA-N 1 0 341.411 3.282 20 10 EGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000154990442 454951543 /nfs/dbraw/zinc/95/15/43/454951543.db2.gz NUVDNNYADVXNRJ-KSSFIOAISA-N 1 0 338.467 3.374 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC)c2)cc1 ZINC000178688293 454968472 /nfs/dbraw/zinc/96/84/72/454968472.db2.gz NGVGKLPFOYYSSH-OAHLLOKOSA-N 1 0 325.456 3.353 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccccc1O ZINC000155705352 455034293 /nfs/dbraw/zinc/03/42/93/455034293.db2.gz CFTCXALYOWXTJY-YVEFUNNKSA-N 1 0 337.366 3.151 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1F ZINC000128777748 455082581 /nfs/dbraw/zinc/08/25/81/455082581.db2.gz ASVFGBQBJBCXNC-UHFFFAOYSA-N 1 0 347.478 3.116 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000172209802 455134937 /nfs/dbraw/zinc/13/49/37/455134937.db2.gz IMWCDLIVPWIUAL-KRWDZBQOSA-N 1 0 325.456 3.118 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1O ZINC000237382970 455180042 /nfs/dbraw/zinc/18/00/42/455180042.db2.gz OSQFAIBWLDSQON-INIZCTEOSA-N 1 0 330.428 3.311 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1O ZINC000180519952 455188500 /nfs/dbraw/zinc/18/85/00/455188500.db2.gz WMBWHSAATBYBNG-UHFFFAOYSA-N 1 0 338.407 3.216 20 10 EGCDRO CCCOc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC000264096096 455190121 /nfs/dbraw/zinc/19/01/21/455190121.db2.gz XQJDEUVBTVRDOX-UHFFFAOYSA-N 1 0 346.393 3.297 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccccc1O ZINC000157496783 455199958 /nfs/dbraw/zinc/19/99/58/455199958.db2.gz JVCZYFGLIYIFJC-QGZVFWFLSA-N 1 0 333.453 3.427 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000180615595 455209038 /nfs/dbraw/zinc/20/90/38/455209038.db2.gz CERYWYSKZFZFLI-HNNXBMFYSA-N 1 0 326.234 3.076 20 10 EGCDRO CC(C)[N@H+](CC(=O)N(C)c1nccs1)Cc1ccc(N(C)C)cc1 ZINC000264963168 455298419 /nfs/dbraw/zinc/29/84/19/455298419.db2.gz GOMGLPSJJBBCNW-UHFFFAOYSA-N 1 0 346.500 3.083 20 10 EGCDRO COc1ccc(O)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000183513135 455301391 /nfs/dbraw/zinc/30/13/91/455301391.db2.gz NUBWSVPTQJXMPL-GOSISDBHSA-N 1 0 343.423 3.288 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000158813260 455330991 /nfs/dbraw/zinc/33/09/91/455330991.db2.gz XZJZTFLRNKUDTB-HNNXBMFYSA-N 1 0 346.496 3.397 20 10 EGCDRO Oc1ccccc1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184169015 455358577 /nfs/dbraw/zinc/35/85/77/455358577.db2.gz WBPQXNCLTQDHJD-UHFFFAOYSA-N 1 0 327.359 3.304 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1OC ZINC000191196913 455461776 /nfs/dbraw/zinc/46/17/76/455461776.db2.gz NPGUSBUURKSXRM-AWEZNQCLSA-N 1 0 333.359 3.162 20 10 EGCDRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000184883827 455466659 /nfs/dbraw/zinc/46/66/59/455466659.db2.gz QBLYRDNWFZMUKS-NSHDSACASA-N 1 0 335.375 3.408 20 10 EGCDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185077505 455496546 /nfs/dbraw/zinc/49/65/46/455496546.db2.gz MICQRWHDURDKSV-AWEZNQCLSA-N 1 0 348.487 3.479 20 10 EGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185122731 455506468 /nfs/dbraw/zinc/50/64/68/455506468.db2.gz JKQYXPODRZXPSF-UONOGXRCSA-N 1 0 348.468 3.021 20 10 EGCDRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Br)cc1O ZINC000185475773 455563074 /nfs/dbraw/zinc/56/30/74/455563074.db2.gz SXAJDTYYMFHAEJ-APBUJDDRSA-N 1 0 348.306 3.353 20 10 EGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)CN1CCOCC1 ZINC000185505036 455569975 /nfs/dbraw/zinc/56/99/75/455569975.db2.gz YLQUIWSEUOXPPF-HOTGVXAUSA-N 1 0 328.456 3.164 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(Br)cc1O ZINC000185736605 455609868 /nfs/dbraw/zinc/60/98/68/455609868.db2.gz SMAGUEZGOUVXNH-WZRBSPASSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096011 455635156 /nfs/dbraw/zinc/63/51/56/455635156.db2.gz MOGJKUSCCFCXDQ-ZDUSSCGKSA-N 1 0 340.427 3.410 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000192873230 455709518 /nfs/dbraw/zinc/70/95/18/455709518.db2.gz RRJSZZUZOQYSKB-CYBMUJFWSA-N 1 0 329.396 3.065 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268774844 455712571 /nfs/dbraw/zinc/71/25/71/455712571.db2.gz AXIBICDCFZFLJT-ZNMIVQPWSA-N 1 0 346.450 3.024 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000268748916 455712978 /nfs/dbraw/zinc/71/29/78/455712978.db2.gz BQYATUMZCPBTHO-OAHLLOKOSA-N 1 0 329.444 3.024 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000268748912 455713089 /nfs/dbraw/zinc/71/30/89/455713089.db2.gz BQYATUMZCPBTHO-HNNXBMFYSA-N 1 0 329.444 3.024 20 10 EGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C(C)(C)O1 ZINC000268803219 455714294 /nfs/dbraw/zinc/71/42/94/455714294.db2.gz BOMCLLSRICISQO-LJQANCHMSA-N 1 0 346.515 3.331 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000268826185 455715415 /nfs/dbraw/zinc/71/54/15/455715415.db2.gz YYZGZORUBWCQEU-MGPUTAFESA-N 1 0 344.430 3.047 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000268904105 455724702 /nfs/dbraw/zinc/72/47/02/455724702.db2.gz PGLHCCZYLZKNJH-UZLBHIALSA-N 1 0 342.487 3.185 20 10 EGCDRO Cc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1O ZINC000271807331 455767653 /nfs/dbraw/zinc/76/76/53/455767653.db2.gz KDFXLJPXNRDVKG-UHFFFAOYSA-N 1 0 340.471 3.238 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1O ZINC000271811247 455770325 /nfs/dbraw/zinc/77/03/25/455770325.db2.gz KVMMYGBGSRRLFC-NWDGAFQWSA-N 1 0 328.250 3.368 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1O ZINC000293510674 455789462 /nfs/dbraw/zinc/78/94/62/455789462.db2.gz AALGJFSMTIJRLA-UHFFFAOYSA-N 1 0 341.451 3.317 20 10 EGCDRO Cc1nnsc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000293632598 455793324 /nfs/dbraw/zinc/79/33/24/455793324.db2.gz KHSXVBUSILTIBA-ZETCQYMHSA-N 1 0 328.235 3.165 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000278240599 455794479 /nfs/dbraw/zinc/79/44/79/455794479.db2.gz LKVWFZJEURIKEE-IUODEOHRSA-N 1 0 338.423 3.409 20 10 EGCDRO CCS(=O)(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293683382 455794918 /nfs/dbraw/zinc/79/49/18/455794918.db2.gz KMNRRTMPWZCWEQ-SFHVURJKSA-N 1 0 347.480 3.090 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c(O)c1 ZINC000293945031 455800988 /nfs/dbraw/zinc/80/09/88/455800988.db2.gz YWIHFQVFRWCXFX-HNNXBMFYSA-N 1 0 347.480 3.404 20 10 EGCDRO COc1ccncc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000294334627 455811931 /nfs/dbraw/zinc/81/19/31/455811931.db2.gz PEHYAGYZGQZZAN-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000294360217 455813007 /nfs/dbraw/zinc/81/30/07/455813007.db2.gz QIOVDJPJWXKMJO-HPUBIQBYSA-N 1 0 338.517 3.007 20 10 EGCDRO CCC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000294926794 455832319 /nfs/dbraw/zinc/83/23/19/455832319.db2.gz JTWMFHCMFWPKMM-HXUWFJFHSA-N 1 0 332.488 3.303 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)C3CCOCC3)cc2)CC1 ZINC000294997683 455834401 /nfs/dbraw/zinc/83/44/01/455834401.db2.gz NUMWIVOLEUUGPO-INIZCTEOSA-N 1 0 332.488 3.207 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)CCc3ccccn3)cc2)CC1 ZINC000295036866 455836643 /nfs/dbraw/zinc/83/66/43/455836643.db2.gz WGCZCDUWTXRYTE-UHFFFAOYSA-N 1 0 339.483 3.371 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H](O)c2ccc(C)cc2)ccc1OC ZINC000278539998 455838507 /nfs/dbraw/zinc/83/85/07/455838507.db2.gz XEGMJNRORZLKOF-IBGZPJMESA-N 1 0 329.440 3.363 20 10 EGCDRO COCC1=CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000295629019 455855798 /nfs/dbraw/zinc/85/57/98/455855798.db2.gz BBJWUUWPFRJCMO-UHFFFAOYSA-N 1 0 330.472 3.080 20 10 EGCDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cn2)n1 ZINC000295960135 455864459 /nfs/dbraw/zinc/86/44/59/455864459.db2.gz MBCSEKNPYDWUHG-KRWDZBQOSA-N 1 0 334.423 3.367 20 10 EGCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(C)cc1O ZINC000285532026 455864600 /nfs/dbraw/zinc/86/46/00/455864600.db2.gz COQLPDGKERBTEF-HNNXBMFYSA-N 1 0 325.474 3.099 20 10 EGCDRO CC[C@@]1(C)C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000296122878 455869315 /nfs/dbraw/zinc/86/93/15/455869315.db2.gz WAGFLIHRGFDVDT-FQEVSTJZSA-N 1 0 332.488 3.303 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1F ZINC000279644989 455869614 /nfs/dbraw/zinc/86/96/14/455869614.db2.gz DLFOGDRCYROHGW-QGZVFWFLSA-N 1 0 335.467 3.020 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1O ZINC000280092007 455889474 /nfs/dbraw/zinc/88/94/74/455889474.db2.gz MLSKQIPCXXURAF-QUCCMNQESA-N 1 0 345.439 3.492 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(C)cc1O ZINC000280175779 455909137 /nfs/dbraw/zinc/90/91/37/455909137.db2.gz RJIVWZXEMGWNJO-GOSISDBHSA-N 1 0 347.480 3.486 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000187528172 455921212 /nfs/dbraw/zinc/92/12/12/455921212.db2.gz ZTWNBKYNTXZGIP-LJQANCHMSA-N 1 0 341.386 3.153 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(CO)c1 ZINC000270420661 455951664 /nfs/dbraw/zinc/95/16/64/455951664.db2.gz FGBITDXDZCTYOV-HNNXBMFYSA-N 1 0 344.430 3.005 20 10 EGCDRO Cc1cnccc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296512325 455959456 /nfs/dbraw/zinc/95/94/56/455959456.db2.gz RPHDKQNYSVFVQQ-HOTGVXAUSA-N 1 0 343.446 3.433 20 10 EGCDRO COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000280404570 455964491 /nfs/dbraw/zinc/96/44/91/455964491.db2.gz AQHVAKHZYDLWFZ-UHFFFAOYSA-N 1 0 336.439 3.237 20 10 EGCDRO CN(C)C(=O)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296582486 455979822 /nfs/dbraw/zinc/97/98/22/455979822.db2.gz WYPPGYDYXHLTEI-UHFFFAOYSA-N 1 0 345.512 3.343 20 10 EGCDRO COC(=O)Nc1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296713891 456017137 /nfs/dbraw/zinc/01/71/37/456017137.db2.gz IIDQXLUOXICNNF-INIZCTEOSA-N 1 0 326.396 3.390 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1F ZINC000272738983 456056396 /nfs/dbraw/zinc/05/63/96/456056396.db2.gz IEDFFOZUHKSRCO-HXOBKFHXSA-N 1 0 334.460 3.101 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000271054004 456114516 /nfs/dbraw/zinc/11/45/16/456114516.db2.gz YGKQDPVFGNVKQE-CYBMUJFWSA-N 1 0 342.830 3.468 20 10 EGCDRO CC(C)[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000271083831 456119950 /nfs/dbraw/zinc/11/99/50/456119950.db2.gz SEPXFXQLYWGJPT-UHFFFAOYSA-N 1 0 342.487 3.193 20 10 EGCDRO CCCN(Cc1cnc(C2OCCO2)s1)c1ccc(C[NH3+])cc1 ZINC000289654137 456135332 /nfs/dbraw/zinc/13/53/32/456135332.db2.gz LQTQDBABHVWGJJ-UHFFFAOYSA-N 1 0 333.457 3.064 20 10 EGCDRO C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289678268 456136882 /nfs/dbraw/zinc/13/68/82/456136882.db2.gz NUPSURFEUVIJCX-PBWFPOADSA-N 1 0 339.823 3.011 20 10 EGCDRO Cc1nnc(CC[NH2+][C@H](C)c2cc(Br)ccc2O)s1 ZINC000289754226 456141284 /nfs/dbraw/zinc/14/12/84/456141284.db2.gz LFRKSVLYGAFCIY-MRVPVSSYSA-N 1 0 342.262 3.208 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CCC(N)=O)CC2)cc1F ZINC000271166086 456151034 /nfs/dbraw/zinc/15/10/34/456151034.db2.gz CLGLPFQERQMHSA-UHFFFAOYSA-N 1 0 335.467 3.149 20 10 EGCDRO CC(C)C1CCC([NH+]2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000236591763 456158001 /nfs/dbraw/zinc/15/80/01/456158001.db2.gz DKHSCBHHRLMQQV-UHFFFAOYSA-N 1 0 343.515 3.170 20 10 EGCDRO OCCO[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271208839 456172746 /nfs/dbraw/zinc/17/27/46/456172746.db2.gz XHXKWCZJJGSQCU-IBGZPJMESA-N 1 0 327.424 3.033 20 10 EGCDRO COc1cccc(C[N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)c1O ZINC000289929610 456185340 /nfs/dbraw/zinc/18/53/40/456185340.db2.gz XVZCQBQICYCBFG-MRXNPFEDSA-N 1 0 343.423 3.453 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)c1O ZINC000263680593 456191396 /nfs/dbraw/zinc/19/13/96/456191396.db2.gz MLQCAFMTZGACQF-UHFFFAOYSA-N 1 0 331.412 3.486 20 10 EGCDRO COCCOCc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297404082 456211979 /nfs/dbraw/zinc/21/19/79/456211979.db2.gz SRMZFOWLBJKUNP-SFHVURJKSA-N 1 0 327.424 3.332 20 10 EGCDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2=O)cc1 ZINC000189080173 456220540 /nfs/dbraw/zinc/22/05/40/456220540.db2.gz AKBODNNYKMATIF-APWZRJJASA-N 1 0 338.451 3.461 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000273390232 456227317 /nfs/dbraw/zinc/22/73/17/456227317.db2.gz KKBRETWALKDFQJ-OAHLLOKOSA-N 1 0 342.439 3.088 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273546854 456237414 /nfs/dbraw/zinc/23/74/14/456237414.db2.gz ZPKKIGLVHZPWSJ-JSGCOSHPSA-N 1 0 344.377 3.213 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273546860 456238084 /nfs/dbraw/zinc/23/80/84/456238084.db2.gz ZPKKIGLVHZPWSJ-OCCSQVGLSA-N 1 0 344.377 3.213 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273604891 456241160 /nfs/dbraw/zinc/24/11/60/456241160.db2.gz SZVODBRNXBNTJM-CYBMUJFWSA-N 1 0 340.423 3.144 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Br)ccc2O)o1 ZINC000273595148 456241168 /nfs/dbraw/zinc/24/11/68/456241168.db2.gz QJDJQZZDTHXWQF-YGRLFVJLSA-N 1 0 340.217 3.440 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C1CCC(O)(c3ccccc3)CC1)OCO2 ZINC000273721896 456243145 /nfs/dbraw/zinc/24/31/45/456243145.db2.gz MLMRUOZRLGUYAP-UHFFFAOYSA-N 1 0 341.407 3.041 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1([NH3+])CCCCC1 ZINC000237216833 456248316 /nfs/dbraw/zinc/24/83/16/456248316.db2.gz KVRMEQUFKUFUTO-UHFFFAOYSA-N 1 0 329.488 3.297 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(OC)c(O)c3)CC2)cc1 ZINC000237261764 456256680 /nfs/dbraw/zinc/25/66/80/456256680.db2.gz ASFXNDBPAWEXLI-UHFFFAOYSA-N 1 0 342.439 3.168 20 10 EGCDRO COc1cc(O)c(CNc2ccccc2CC[NH+](C)C)cc1OC ZINC000275996497 456366242 /nfs/dbraw/zinc/36/62/42/456366242.db2.gz OEMABLLBTFSIKL-UHFFFAOYSA-N 1 0 330.428 3.126 20 10 EGCDRO OCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCOCC1 ZINC000276030097 456374538 /nfs/dbraw/zinc/37/45/38/456374538.db2.gz RNBJKTWMUYMANT-UHFFFAOYSA-N 1 0 327.424 3.033 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc(F)ccc1O ZINC000282436893 456513059 /nfs/dbraw/zinc/51/30/59/456513059.db2.gz MSZPLCAWASDJCS-CZUORRHYSA-N 1 0 343.402 3.488 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccccc3C)CC2)cc1 ZINC000305101669 456526727 /nfs/dbraw/zinc/52/67/27/456526727.db2.gz BLCWPHVNXRFALS-OAQYLSRUSA-N 1 0 340.467 3.296 20 10 EGCDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000291155945 456549182 /nfs/dbraw/zinc/54/91/82/456549182.db2.gz BWTIUVWKNFYHGI-HXUWFJFHSA-N 1 0 327.424 3.346 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1F ZINC000291262384 456583017 /nfs/dbraw/zinc/58/30/17/456583017.db2.gz NBHAFCWHPXARBU-HXUWFJFHSA-N 1 0 328.431 3.028 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c1 ZINC000282731750 456606086 /nfs/dbraw/zinc/60/60/86/456606086.db2.gz MOYGAHFHZXWXAP-INIZCTEOSA-N 1 0 347.480 3.009 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1C ZINC000282881736 456653625 /nfs/dbraw/zinc/65/36/25/456653625.db2.gz CRUVPLMOQFYNGN-SFHVURJKSA-N 1 0 339.439 3.400 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O ZINC000359955436 457171390 /nfs/dbraw/zinc/17/13/90/457171390.db2.gz IHKIWBKWHGYSAM-APHBMKBZSA-N 1 0 325.836 3.347 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000363846706 457454208 /nfs/dbraw/zinc/45/42/08/457454208.db2.gz LWIZRYMRCRPLQQ-SFHVURJKSA-N 1 0 349.434 3.341 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000358100128 457785684 /nfs/dbraw/zinc/78/56/84/457785684.db2.gz XJPLQYRYIDULOT-AWEZNQCLSA-N 1 0 330.476 3.015 20 10 EGCDRO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)c1O ZINC000368046543 458006255 /nfs/dbraw/zinc/00/62/55/458006255.db2.gz YYTKADCMSAHXPW-UHFFFAOYSA-N 1 0 327.359 3.220 20 10 EGCDRO Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)OCO2 ZINC000362389243 458145795 /nfs/dbraw/zinc/14/57/95/458145795.db2.gz NBVJNSOGBDQUTE-JXFKEZNVSA-N 1 0 341.407 3.209 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccncc3OC)CC2)cc1 ZINC000377010707 458439418 /nfs/dbraw/zinc/43/94/18/458439418.db2.gz VJXOYZUFLPWMGT-OAHLLOKOSA-N 1 0 341.455 3.418 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000471820745 458737153 /nfs/dbraw/zinc/73/71/53/458737153.db2.gz IBNGKHTXRMMICV-UHFFFAOYSA-N 1 0 342.487 3.018 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2ccc3cn(C)nc3c2)ccc1OC ZINC000527763544 459729447 /nfs/dbraw/zinc/72/94/47/459729447.db2.gz PSPLMNJJPXFQGW-UHFFFAOYSA-N 1 0 339.439 3.408 20 10 EGCDRO COC[C@@]1([NH2+]Cc2cc(Cl)ccc2O)COc2ccccc2C1 ZINC000527801551 459741804 /nfs/dbraw/zinc/74/18/04/459741804.db2.gz SJGBPNPCRWSEFC-GOSISDBHSA-N 1 0 333.815 3.156 20 10 EGCDRO C[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1cc2c(cc1O)CCCC2 ZINC000527999407 459791633 /nfs/dbraw/zinc/79/16/33/459791633.db2.gz KYRRIUASGMGPQV-DJJJIMSYSA-N 1 0 336.435 3.485 20 10 EGCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269714401 547341940 /nfs/dbraw/zinc/34/19/40/547341940.db2.gz RVZUKEVEYMEIJT-FQEVSTJZSA-N 1 0 341.499 3.310 20 10 EGCDRO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000726980632 574627004 /nfs/dbraw/zinc/62/70/04/574627004.db2.gz CKHPTZBBSQWCMO-KRWDZBQOSA-N 1 0 339.483 3.404 20 10 EGCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000728563642 574759706 /nfs/dbraw/zinc/75/97/06/574759706.db2.gz LLWVSLUCRMYCLT-UHFFFAOYSA-N 1 0 327.380 3.078 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000731024550 575045610 /nfs/dbraw/zinc/04/56/10/575045610.db2.gz FYGQLUONIPBGTF-OAHLLOKOSA-N 1 0 331.485 3.227 20 10 EGCDRO C[C@H](COc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000731449987 575073545 /nfs/dbraw/zinc/07/35/45/575073545.db2.gz NJFGQKQUZVVYHH-QGZVFWFLSA-N 1 0 326.440 3.080 20 10 EGCDRO COc1ccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CCOCC2)cc1 ZINC000732201434 575243779 /nfs/dbraw/zinc/24/37/79/575243779.db2.gz AKKKGMZHPYUZKK-UHFFFAOYSA-N 1 0 339.435 3.426 20 10 EGCDRO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ccccc1O ZINC000732227956 575246871 /nfs/dbraw/zinc/24/68/71/575246871.db2.gz JIWPJAYXLQEWCF-UHFFFAOYSA-N 1 0 349.228 3.191 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCN1CCSCC1 ZINC000732822263 575289856 /nfs/dbraw/zinc/28/98/56/575289856.db2.gz HIDGKNUAZSUEGK-UHFFFAOYSA-N 1 0 328.481 3.198 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1 ZINC000733167662 575312248 /nfs/dbraw/zinc/31/22/48/575312248.db2.gz YEUOJYBCFORASF-LJQANCHMSA-N 1 0 327.472 3.410 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](CCc1ccc(F)cc1)C1CC1)OCO2 ZINC000735074087 575597701 /nfs/dbraw/zinc/59/77/01/575597701.db2.gz WCWPXKOBDCXTEY-UHFFFAOYSA-N 1 0 329.371 3.467 20 10 EGCDRO CCn1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1 ZINC000735676344 575698878 /nfs/dbraw/zinc/69/88/78/575698878.db2.gz KSWXMOAEWMZILN-UHFFFAOYSA-N 1 0 343.431 3.091 20 10 EGCDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Br)ccc1O ZINC000756629573 576159944 /nfs/dbraw/zinc/15/99/44/576159944.db2.gz PZAAJPAEHRWURE-NWDGAFQWSA-N 1 0 327.266 3.147 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)ccc1N1CCCCC1 ZINC000742372164 576774831 /nfs/dbraw/zinc/77/48/31/576774831.db2.gz ISQBFMCJERXFQQ-WBVHZDCISA-N 1 0 347.459 3.226 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000742372745 576775191 /nfs/dbraw/zinc/77/51/91/576775191.db2.gz VPBNMBJTMGWXNZ-GOSISDBHSA-N 1 0 329.419 3.298 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cccc(N(C)C)c3)CC2)cc1 ZINC000743835677 576816385 /nfs/dbraw/zinc/81/63/85/576816385.db2.gz HIWRPOZKFKDJBE-UHFFFAOYSA-N 1 0 325.456 3.083 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2c(C)noc2C)cc1Cn1cccn1 ZINC000873049654 1297247542 /nfs/dbraw/zinc/24/75/42/1297247542.db2.gz JZTGNFBWBMGFPJ-CYBMUJFWSA-N 1 0 340.427 3.396 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccccc2F)[NH+](C)C)cc1 ZINC000038635606 1291403842 /nfs/dbraw/zinc/40/38/42/1291403842.db2.gz NKDDYQZNGPZKKW-SFHVURJKSA-N 1 0 344.434 3.316 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000066699528 1292127181 /nfs/dbraw/zinc/12/71/81/1292127181.db2.gz GXUFYADLCBDSJG-MRXNPFEDSA-N 1 0 333.476 3.046 20 10 EGCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000827751875 1292365965 /nfs/dbraw/zinc/36/59/65/1292365965.db2.gz XRGTWFMULLRGAL-RHSMWYFYSA-N 1 0 341.835 3.266 20 10 EGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000827951390 1292411643 /nfs/dbraw/zinc/41/16/43/1292411643.db2.gz YMOGAGMMUMYHNM-CYBMUJFWSA-N 1 0 326.843 3.396 20 10 EGCDRO COc1ccc(N2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)cc1F ZINC000828031304 1292421323 /nfs/dbraw/zinc/42/13/23/1292421323.db2.gz LKXWEIPXZVBPPY-GOSISDBHSA-N 1 0 349.494 3.219 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000828461016 1292465024 /nfs/dbraw/zinc/46/50/24/1292465024.db2.gz HVZSNECLIZDXLI-MOPGFXCFSA-N 1 0 344.499 3.160 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(C)c1)[C@@H]1CCCO1 ZINC000829326773 1292561919 /nfs/dbraw/zinc/56/19/19/1292561919.db2.gz CVUCZOHNOTXDOY-ICSRJNTNSA-N 1 0 332.488 3.269 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)OC3CCCC3)cc2F)CC1 ZINC000830418406 1292718879 /nfs/dbraw/zinc/71/88/79/1292718879.db2.gz FJTAGPJYRCLJCT-UHFFFAOYSA-N 1 0 349.450 3.136 20 10 EGCDRO [NH3+][C@H](CCC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1 ZINC000830598006 1292739281 /nfs/dbraw/zinc/73/92/81/1292739281.db2.gz YXKSGFSVYRREIH-LJQANCHMSA-N 1 0 338.451 3.367 20 10 EGCDRO Cc1ccc(Cl)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267741 1292979413 /nfs/dbraw/zinc/97/94/13/1292979413.db2.gz ZUUCWHDAPQPEAV-QGZVFWFLSA-N 1 0 331.847 3.144 20 10 EGCDRO CC[C@@H](Cc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272750 1292979426 /nfs/dbraw/zinc/97/94/26/1292979426.db2.gz JYKFPEBXJXPYLK-FXAWDEMLSA-N 1 0 339.483 3.138 20 10 EGCDRO CC[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832273827 1292979921 /nfs/dbraw/zinc/97/99/21/1292979921.db2.gz QQPOLQRUAXXPGI-OXJNMPFZSA-N 1 0 339.483 3.453 20 10 EGCDRO Cc1ccc(CN(C(=O)C[N@@H+](C)Cc2ccccc2O)C2CC2)cc1 ZINC000111235800 1293101657 /nfs/dbraw/zinc/10/16/57/1293101657.db2.gz LIVYUKZSTJBGBC-UHFFFAOYSA-N 1 0 338.451 3.324 20 10 EGCDRO Cc1ccc(SCCNC(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000111235516 1293101678 /nfs/dbraw/zinc/10/16/78/1293101678.db2.gz KZHDIXRLRRUEAB-UHFFFAOYSA-N 1 0 344.480 3.041 20 10 EGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000834518481 1293109026 /nfs/dbraw/zinc/10/90/26/1293109026.db2.gz JJERGLFJRJYCNQ-MSOLQXFVSA-N 1 0 332.513 3.287 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834768256 1293144067 /nfs/dbraw/zinc/14/40/67/1293144067.db2.gz ACZOMSMOZNDNJK-VNQPRFMTSA-N 1 0 332.444 3.226 20 10 EGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(C)C ZINC000834878598 1293162636 /nfs/dbraw/zinc/16/26/36/1293162636.db2.gz FGFRXBKSSRJGGN-LIRRHRJNSA-N 1 0 332.488 3.425 20 10 EGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000834895245 1293167292 /nfs/dbraw/zinc/16/72/92/1293167292.db2.gz AKNDFNCIBIWLIM-GHMZBOCLSA-N 1 0 338.249 3.170 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c(O)c1C ZINC000834896621 1293167396 /nfs/dbraw/zinc/16/73/96/1293167396.db2.gz MABWCEAVTMGLEA-IRXDYDNUSA-N 1 0 340.467 3.407 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccccc1O ZINC000834903097 1293170432 /nfs/dbraw/zinc/17/04/32/1293170432.db2.gz IVXRARPZGISBPU-DHXZDTOLSA-N 1 0 329.444 3.437 20 10 EGCDRO C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834903563 1293171023 /nfs/dbraw/zinc/17/10/23/1293171023.db2.gz KTTBYRDWCBIGJU-HOTGVXAUSA-N 1 0 336.451 3.130 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccccn3)n[nH]2)c2c1c(F)ccc2O ZINC000834904765 1293171276 /nfs/dbraw/zinc/17/12/76/1293171276.db2.gz PWDLCGABFCPPDV-MFKMUULPSA-N 1 0 339.374 3.050 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000834907075 1293172424 /nfs/dbraw/zinc/17/24/24/1293172424.db2.gz LVVFGBAENKUKHC-BPQIPLTHSA-N 1 0 329.488 3.372 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc(N(C)C)cc1 ZINC000834911773 1293173993 /nfs/dbraw/zinc/17/39/93/1293173993.db2.gz KCSGNHIMIOIFOY-LESCRADOSA-N 1 0 328.460 3.057 20 10 EGCDRO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(N2CCCCC2)cc1 ZINC000834916381 1293176206 /nfs/dbraw/zinc/17/62/06/1293176206.db2.gz WWJNRSGKURTDSB-VDGAXYAQSA-N 1 0 341.499 3.481 20 10 EGCDRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151126776 1293908988 /nfs/dbraw/zinc/90/89/88/1293908988.db2.gz DLOCMAJDSOKRPM-KBPBESRZSA-N 1 0 326.481 3.455 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000152104127 1293953507 /nfs/dbraw/zinc/95/35/07/1293953507.db2.gz UTWRKEFJZQPPJQ-UHFFFAOYSA-N 1 0 329.444 3.429 20 10 EGCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000155326538 1294091926 /nfs/dbraw/zinc/09/19/26/1294091926.db2.gz WCQGDKNZQNRBGS-CVEARBPZSA-N 1 0 328.460 3.151 20 10 EGCDRO CC(C)[NH+]1CCC(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000156325478 1294138890 /nfs/dbraw/zinc/13/88/90/1294138890.db2.gz AJBWMMSJKVAXMQ-UHFFFAOYSA-N 1 0 330.472 3.008 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)cc1 ZINC000161975084 1294303470 /nfs/dbraw/zinc/30/34/70/1294303470.db2.gz CLHDOSMQTVBGDL-OTWHNJEPSA-N 1 0 330.472 3.067 20 10 EGCDRO COc1cc(C[NH+]2CCC3(CC2)OCCO3)c(O)c(C(C)(C)C)c1 ZINC000163905713 1294340967 /nfs/dbraw/zinc/34/09/67/1294340967.db2.gz IZUCQRYYYJODAI-UHFFFAOYSA-N 1 0 335.444 3.037 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000171846231 1294419364 /nfs/dbraw/zinc/41/93/64/1294419364.db2.gz IYIAYIQMDVVQHR-UHFFFAOYSA-N 1 0 338.499 3.246 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cccc(C)c2C)c1 ZINC000182319836 1295035920 /nfs/dbraw/zinc/03/59/20/1295035920.db2.gz LDBSFBWUQHHOLX-CQSZACIVSA-N 1 0 328.412 3.307 20 10 EGCDRO Cc1cccc(C[NH2+]CCOc2ncccc2C(F)(F)F)c1O ZINC000182659819 1295065890 /nfs/dbraw/zinc/06/58/90/1295065890.db2.gz LMVDSQKXPBBANP-UHFFFAOYSA-N 1 0 326.318 3.283 20 10 EGCDRO Cc1ccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c(O)c1O ZINC000182892723 1295082194 /nfs/dbraw/zinc/08/21/94/1295082194.db2.gz YNLUACJCHVKMGG-UHFFFAOYSA-N 1 0 346.471 3.179 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000184246969 1295182033 /nfs/dbraw/zinc/18/20/33/1295182033.db2.gz UMVYYWKTCXCXLT-LJQANCHMSA-N 1 0 327.424 3.234 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c(O)c1 ZINC000184865284 1295225032 /nfs/dbraw/zinc/22/50/32/1295225032.db2.gz OWNOMQJQTUAHPZ-SNVBAGLBSA-N 1 0 338.329 3.407 20 10 EGCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000185191679 1295246117 /nfs/dbraw/zinc/24/61/17/1295246117.db2.gz RWYGYMXEMWSYLE-WOJBJXKFSA-N 1 0 332.488 3.207 20 10 EGCDRO C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000185523766 1295268868 /nfs/dbraw/zinc/26/88/68/1295268868.db2.gz XXRJPTJBGQJPOQ-JKSUJKDBSA-N 1 0 333.472 3.365 20 10 EGCDRO C[C@H](O)[C@](C)(C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000191719811 1295704199 /nfs/dbraw/zinc/70/41/99/1295704199.db2.gz MMTNKUQSBDBSRK-KKSFZXQISA-N 1 0 325.452 3.341 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000193876435 1295921547 /nfs/dbraw/zinc/92/15/47/1295921547.db2.gz LHXNUJSGIMGHLH-UHFFFAOYSA-N 1 0 331.485 3.322 20 10 EGCDRO COc1cc(C)cc(CN2CC[NH+](Cc3ccccc3C)CC2)c1O ZINC000216347924 1296118837 /nfs/dbraw/zinc/11/88/37/1296118837.db2.gz FXJASYIUKDPSOW-UHFFFAOYSA-N 1 0 340.467 3.335 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000870966984 1296160288 /nfs/dbraw/zinc/16/02/88/1296160288.db2.gz XZTSWVLHBOYSNU-CALCHBBNSA-N 1 0 325.456 3.178 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000237734754 1296260965 /nfs/dbraw/zinc/26/09/65/1296260965.db2.gz KEVRVMUDVFFEHL-QGZVFWFLSA-N 1 0 331.847 3.215 20 10 EGCDRO CC[NH+](CC)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000247835421 1296401872 /nfs/dbraw/zinc/40/18/72/1296401872.db2.gz MYYCGAXXHWYFLC-UHFFFAOYSA-N 1 0 331.435 3.305 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1O ZINC000250098022 1296455262 /nfs/dbraw/zinc/45/52/62/1296455262.db2.gz QYQATGIICBHXJU-DNVCBOLYSA-N 1 0 327.424 3.174 20 10 EGCDRO Cc1ncccc1/C=C1/SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000255440062 1296533034 /nfs/dbraw/zinc/53/30/34/1296533034.db2.gz GIGRYPIQYSQRPS-NTEUORMPSA-N 1 0 349.525 3.179 20 10 EGCDRO C[NH2+][C@H](C)Cc1noc(-c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 ZINC000261671168 1296597389 /nfs/dbraw/zinc/59/73/89/1296597389.db2.gz GGYJSTZZUWBGPZ-GFCCVEGCSA-N 1 0 340.427 3.303 20 10 EGCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000305069814 1296965594 /nfs/dbraw/zinc/96/55/94/1296965594.db2.gz KUYOBFDVXJMQBD-KUHUBIRLSA-N 1 0 344.455 3.154 20 10 EGCDRO COc1ccc(C[NH2+]CCc2csc(C)n2)cc1Cn1cccn1 ZINC000873010118 1297221634 /nfs/dbraw/zinc/22/16/34/1297221634.db2.gz GUUVPJCFBAFERR-UHFFFAOYSA-N 1 0 342.468 3.037 20 10 EGCDRO COc1ccc(C[NH2+]C2(CCO)CCCCC2)cc1Cn1cccn1 ZINC000873071068 1297258187 /nfs/dbraw/zinc/25/81/87/1297258187.db2.gz FIYXUDOGIOZPNE-UHFFFAOYSA-N 1 0 343.471 3.115 20 10 EGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCNC(=O)CC3)cc2Cl)C1 ZINC000873121372 1297280863 /nfs/dbraw/zinc/28/08/63/1297280863.db2.gz HVTZZQSKUCMGDU-GDBMZVCRSA-N 1 0 349.906 3.335 20 10 EGCDRO COCC1CCC([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873132069 1297288467 /nfs/dbraw/zinc/28/84/67/1297288467.db2.gz FLCRRYYDRHLVRN-UHFFFAOYSA-N 1 0 343.471 3.235 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)cc1Cn1cccn1 ZINC000873132554 1297288631 /nfs/dbraw/zinc/28/86/31/1297288631.db2.gz XIGZIHAPKOUPRY-QRWLVFNGSA-N 1 0 343.471 3.233 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1O ZINC000873179119 1297330321 /nfs/dbraw/zinc/33/03/21/1297330321.db2.gz CXNOPIVYJQXVKJ-MRXNPFEDSA-N 1 0 335.831 3.138 20 10 EGCDRO CC[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000702555044 1298194482 /nfs/dbraw/zinc/19/44/82/1298194482.db2.gz YKBLNBXNRJWGPE-FPOVZHCZSA-N 1 0 340.467 3.070 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000715089759 1298277448 /nfs/dbraw/zinc/27/74/48/1298277448.db2.gz IVSLGUBKHIQKBN-AKAXFMLLSA-N 1 0 334.460 3.348 20 10 EGCDRO [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000715778772 1298285814 /nfs/dbraw/zinc/28/58/14/1298285814.db2.gz MIOGRPFBDKOCIU-STQMWFEESA-N 1 0 343.240 3.010 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000716178740 1298294445 /nfs/dbraw/zinc/29/44/45/1298294445.db2.gz PQMMOGNVDZABDC-RDJZCZTQSA-N 1 0 326.440 3.326 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000875478153 1298353799 /nfs/dbraw/zinc/35/37/99/1298353799.db2.gz WPOJXLAFTLCZEP-CVEARBPZSA-N 1 0 345.487 3.153 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000725853764 1298377056 /nfs/dbraw/zinc/37/70/56/1298377056.db2.gz VOUOPYMTUZFCBU-INIZCTEOSA-N 1 0 330.428 3.229 20 10 EGCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745801069 1298482087 /nfs/dbraw/zinc/48/20/87/1298482087.db2.gz SIUYGGIZVQOGKK-QGZVFWFLSA-N 1 0 348.535 3.403 20 10 EGCDRO O=C(NCCCSc1nccs1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000747662439 1298821575 /nfs/dbraw/zinc/82/15/75/1298821575.db2.gz YALSVMPDSWOORK-CQSZACIVSA-N 1 0 339.530 3.149 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000876559319 1298828515 /nfs/dbraw/zinc/82/85/15/1298828515.db2.gz YEJYCQATDXHJPN-MRXNPFEDSA-N 1 0 340.471 3.398 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000876665396 1298907885 /nfs/dbraw/zinc/90/78/85/1298907885.db2.gz WEBCTZMVZYSXEA-UHFFFAOYSA-N 1 0 349.434 3.140 20 10 EGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000748269500 1298971509 /nfs/dbraw/zinc/97/15/09/1298971509.db2.gz YRLBFXFBXMJYEQ-QGZVFWFLSA-N 1 0 327.424 3.315 20 10 EGCDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876797081 1298992576 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KEMGDHVGEZSVEZ-ZDUSSCGKSA-N 1 0 330.384 3.338 20 10 EGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775206026 1303924849 /nfs/dbraw/zinc/92/48/49/1303924849.db2.gz UBKPQNKTLALAIN-QGZVFWFLSA-N 1 0 338.404 3.090 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc(N2CCOCC2)cc1 ZINC000775258633 1303932379 /nfs/dbraw/zinc/93/23/79/1303932379.db2.gz HLNSFEMWQZUKBP-OCCSQVGLSA-N 1 0 329.271 3.368 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2F)c1 ZINC000775369977 1303948000 /nfs/dbraw/zinc/94/80/00/1303948000.db2.gz DDPDMVWEVCRGCZ-LBPRGKRZSA-N 1 0 332.375 3.138 20 10 EGCDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000775406184 1303958691 /nfs/dbraw/zinc/95/86/91/1303958691.db2.gz VLUZZOASBHGIAZ-KXBFYZLASA-N 1 0 329.488 3.337 20 10 EGCDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000775445139 1303965183 /nfs/dbraw/zinc/96/51/83/1303965183.db2.gz MILPPZJWKRJZLC-NTMALXAHSA-N 1 0 346.471 3.272 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccccc1O ZINC000775487837 1303972145 /nfs/dbraw/zinc/97/21/45/1303972145.db2.gz PQZJQBOUMVMPHZ-MRXNPFEDSA-N 1 0 334.441 3.005 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC)C1)c1cc(Cl)ccc1O ZINC000775499427 1303974015 /nfs/dbraw/zinc/97/40/15/1303974015.db2.gz DQRWLEDEXGJMER-GXTWGEPZSA-N 1 0 326.824 3.317 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(Cl)ccc1O ZINC000775509437 1303976177 /nfs/dbraw/zinc/97/61/77/1303976177.db2.gz SEFYHINFFCOOCZ-MRXNPFEDSA-N 1 0 348.830 3.151 20 10 EGCDRO CCc1cnc(CN(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000775727121 1304022716 /nfs/dbraw/zinc/02/27/16/1304022716.db2.gz JMDSJLBNXCNPQL-UHFFFAOYSA-N 1 0 344.528 3.089 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775830695 1304045215 /nfs/dbraw/zinc/04/52/15/1304045215.db2.gz MMSIDBRZCGHWKU-JEWRLFTDSA-N 1 0 331.504 3.487 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775832985 1304046624 /nfs/dbraw/zinc/04/66/24/1304046624.db2.gz DSISYYKQQANASH-INIZCTEOSA-N 1 0 331.504 3.490 20 10 EGCDRO C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000775984357 1304074866 /nfs/dbraw/zinc/07/48/66/1304074866.db2.gz FQOLNTDDIULJFJ-CVEARBPZSA-N 1 0 346.475 3.110 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000778203049 1304418343 /nfs/dbraw/zinc/41/83/43/1304418343.db2.gz IMTCCCSGRQUKLT-UHFFFAOYSA-N 1 0 348.443 3.058 20 10 EGCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779003204 1304517165 /nfs/dbraw/zinc/51/71/65/1304517165.db2.gz QUFQEKZDXUPYOF-OAHLLOKOSA-N 1 0 338.423 3.363 20 10 EGCDRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000779052654 1304523123 /nfs/dbraw/zinc/52/31/23/1304523123.db2.gz QWUMCHVATLLHDN-SFHVURJKSA-N 1 0 344.430 3.101 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1C ZINC000779431653 1304571157 /nfs/dbraw/zinc/57/11/57/1304571157.db2.gz ATXHOGXOLLCCTA-UHFFFAOYSA-N 1 0 332.488 3.478 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000781049318 1304763416 /nfs/dbraw/zinc/76/34/16/1304763416.db2.gz NPTDPOVUTQXPTR-CVEARBPZSA-N 1 0 337.467 3.209 20 10 EGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(C)cc(Br)c2O)C1 ZINC000781897187 1304887808 /nfs/dbraw/zinc/88/78/08/1304887808.db2.gz PLOFAYCHYYVYIT-CQSZACIVSA-N 1 0 341.293 3.379 20 10 EGCDRO CCCc1occc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247370 1304999179 /nfs/dbraw/zinc/99/91/79/1304999179.db2.gz JOFPXEKXFDLYPO-SFHVURJKSA-N 1 0 343.471 3.331 20 10 EGCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cnc1F ZINC000891467732 1305058344 /nfs/dbraw/zinc/05/83/44/1305058344.db2.gz MLNKWIWHALIAMR-KRWDZBQOSA-N 1 0 330.403 3.416 20 10 EGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)c(C)cc1O)CC2 ZINC000783978616 1305171287 /nfs/dbraw/zinc/17/12/87/1305171287.db2.gz BWYCLSLXZJVBQF-UHFFFAOYSA-N 1 0 327.424 3.319 20 10 EGCDRO O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCCN1C1CCCCC1 ZINC000785546967 1305376613 /nfs/dbraw/zinc/37/66/13/1305376613.db2.gz DOTWGMNBLYSFDL-INIZCTEOSA-N 1 0 336.863 3.459 20 10 EGCDRO CCCSC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000892622897 1305476300 /nfs/dbraw/zinc/47/63/00/1305476300.db2.gz UOVOWQXTKDBNAF-CQSZACIVSA-N 1 0 326.481 3.284 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cnc1F ZINC000892728330 1305524731 /nfs/dbraw/zinc/52/47/31/1305524731.db2.gz ACPUAYORQGLLHI-HNNXBMFYSA-N 1 0 329.419 3.217 20 10 EGCDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccco1 ZINC000892739640 1305531512 /nfs/dbraw/zinc/53/15/12/1305531512.db2.gz FQEXFZGVWDZIOX-HNNXBMFYSA-N 1 0 348.443 3.175 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2C)c(O)c1OC ZINC000893059569 1305683855 /nfs/dbraw/zinc/68/38/55/1305683855.db2.gz FVBWXGZHNUJNSP-CQSZACIVSA-N 1 0 331.412 3.275 20 10 EGCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893069873 1305689548 /nfs/dbraw/zinc/68/95/48/1305689548.db2.gz SNRYLINJPRXFJE-HNNXBMFYSA-N 1 0 345.395 3.031 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000787291881 1305727563 /nfs/dbraw/zinc/72/75/63/1305727563.db2.gz GNFYMIORUYPPCF-UHFFFAOYSA-N 1 0 340.471 3.366 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)c(O)c1OC ZINC000893267484 1305794057 /nfs/dbraw/zinc/79/40/57/1305794057.db2.gz LQLZZMVHQJNWDW-MLGOLLRUSA-N 1 0 349.402 3.150 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)c(O)c1OC ZINC000893305269 1305816075 /nfs/dbraw/zinc/81/60/75/1305816075.db2.gz UDAIFCOQKVFYID-KZULUSFZSA-N 1 0 349.402 3.414 20 10 EGCDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1cc(Br)ccc1O ZINC000788982187 1306057333 /nfs/dbraw/zinc/05/73/33/1306057333.db2.gz VWJZLZNCSPOZBW-SSDOTTSWSA-N 1 0 328.128 3.342 20 10 EGCDRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(F)cc(F)c1[O-] ZINC000893945802 1306140190 /nfs/dbraw/zinc/14/01/90/1306140190.db2.gz HQVWCYLPJXPVTL-UHFFFAOYSA-N 1 0 346.377 3.195 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000789770355 1306213609 /nfs/dbraw/zinc/21/36/09/1306213609.db2.gz VYLXTGVQIPHMAJ-UHFFFAOYSA-N 1 0 341.455 3.313 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000894093661 1306214281 /nfs/dbraw/zinc/21/42/81/1306214281.db2.gz HBLHDKNMMRIGDW-CVEARBPZSA-N 1 0 331.412 3.390 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCCn2cnc3ccccc32)c1O ZINC000894152129 1306248695 /nfs/dbraw/zinc/24/86/95/1306248695.db2.gz FWOJGESBJIIRDY-UHFFFAOYSA-N 1 0 325.412 3.239 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1O ZINC000894186094 1306266678 /nfs/dbraw/zinc/26/66/78/1306266678.db2.gz IBLNEXCAXDYQKJ-ZDUSSCGKSA-N 1 0 340.423 3.445 20 10 EGCDRO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c2c(c1)CCCN2 ZINC000894199660 1306272080 /nfs/dbraw/zinc/27/20/80/1306272080.db2.gz BRNYPARGNXUDHC-UHFFFAOYSA-N 1 0 337.467 3.171 20 10 EGCDRO COc1ccc(C[NH2+]C(C)(C)COCc2ccccc2)c(O)c1OC ZINC000894240342 1306297014 /nfs/dbraw/zinc/29/70/14/1306297014.db2.gz XEBXHUFVEQXXQV-UHFFFAOYSA-N 1 0 345.439 3.494 20 10 EGCDRO C[C@@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000790526173 1306344645 /nfs/dbraw/zinc/34/46/45/1306344645.db2.gz XACUCCJGKRHPMQ-CRAIPNDOSA-N 1 0 346.519 3.233 20 10 EGCDRO COC(=O)Nc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894749412 1309049502 /nfs/dbraw/zinc/04/95/02/1309049502.db2.gz FAXCIPCYTOVSBG-UHFFFAOYSA-N 1 0 330.384 3.177 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000792934505 1309264343 /nfs/dbraw/zinc/26/43/43/1309264343.db2.gz MMMQZGJTRDLGLD-OXQOHEQNSA-N 1 0 340.467 3.263 20 10 EGCDRO Clc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(-n2cncn2)c1 ZINC000792951912 1309269566 /nfs/dbraw/zinc/26/95/66/1309269566.db2.gz USAOKNVBOQMFHV-UHFFFAOYSA-N 1 0 340.814 3.145 20 10 EGCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793085256 1309293374 /nfs/dbraw/zinc/29/33/74/1309293374.db2.gz LKWRVPLCMWPBFH-UHFFFAOYSA-N 1 0 344.377 3.204 20 10 EGCDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(OC)cc1O ZINC000793387621 1309361078 /nfs/dbraw/zinc/36/10/78/1309361078.db2.gz IOPYMWBYOPBLEJ-KRWDZBQOSA-N 1 0 333.403 3.277 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000793389124 1309361931 /nfs/dbraw/zinc/36/19/31/1309361931.db2.gz WYPCBDXLLVRQFE-ZDUSSCGKSA-N 1 0 330.384 3.420 20 10 EGCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(C)cc3O)C2)cc1F ZINC000895505212 1309379625 /nfs/dbraw/zinc/37/96/25/1309379625.db2.gz PFSIRUDHZYNVNX-OAHLLOKOSA-N 1 0 344.386 3.131 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000793610017 1309415592 /nfs/dbraw/zinc/41/55/92/1309415592.db2.gz NYVRNTOXXFAMAG-MAUKXSAKSA-N 1 0 327.424 3.211 20 10 EGCDRO COc1cc(O)c(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)cc1OC ZINC000895658438 1309451840 /nfs/dbraw/zinc/45/18/40/1309451840.db2.gz KAWVUAFGFVJRQB-SFHVURJKSA-N 1 0 331.412 3.011 20 10 EGCDRO COc1ccc([C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C2CC2)cn1 ZINC000895674084 1309459490 /nfs/dbraw/zinc/45/94/90/1309459490.db2.gz LVOLKMZSHAHMTA-QGZVFWFLSA-N 1 0 344.411 3.054 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(C)cc1O ZINC000794811312 1309600359 /nfs/dbraw/zinc/60/03/59/1309600359.db2.gz WTRRIIFALZVDNS-MJGOQNOKSA-N 1 0 332.488 3.385 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@]2(CCCOC2)O1 ZINC000794886838 1309614784 /nfs/dbraw/zinc/61/47/84/1309614784.db2.gz BERWRIZZIKDFRM-MGPUTAFESA-N 1 0 331.456 3.041 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000796773349 1310085476 /nfs/dbraw/zinc/08/54/76/1310085476.db2.gz ZVYGLNDGXDMSBV-MRXNPFEDSA-N 1 0 335.455 3.493 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](C)Cc2cccc(=O)[nH]2)c1O ZINC000897391969 1310319801 /nfs/dbraw/zinc/31/98/01/1310319801.db2.gz HUXOIBZOKQNDIL-UHFFFAOYSA-N 1 0 337.217 3.196 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@](C)(O)C(F)(F)F ZINC000799106330 1310487455 /nfs/dbraw/zinc/48/74/55/1310487455.db2.gz COTHJZQBEZCCTB-MRXNPFEDSA-N 1 0 330.394 3.422 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(Cl)cn2)N(C)C)cc1 ZINC000898448258 1310739116 /nfs/dbraw/zinc/73/91/16/1310739116.db2.gz RFAYDZZNCDABGZ-GOSISDBHSA-N 1 0 332.879 3.194 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccc(Cl)c2N)N(C)C)cc1 ZINC000898448114 1310739423 /nfs/dbraw/zinc/73/94/23/1310739423.db2.gz PJRVXONINSLCCM-SFHVURJKSA-N 1 0 346.906 3.381 20 10 EGCDRO CN(C)c1ccc([C@@H](CNCc2nc3ccccc3o2)[NH+](C)C)cc1 ZINC000898449498 1310740568 /nfs/dbraw/zinc/74/05/68/1310740568.db2.gz GTHLTALSQNJUNE-GOSISDBHSA-N 1 0 338.455 3.286 20 10 EGCDRO CCc1nc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000898450336 1310742098 /nfs/dbraw/zinc/74/20/98/1310742098.db2.gz AREGYLAZHPOVCV-QGZVFWFLSA-N 1 0 332.517 3.164 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(N3CCc4ccccc43)CC2)c1 ZINC000800528051 1310778538 /nfs/dbraw/zinc/77/85/38/1310778538.db2.gz HLOBRAQGEPPQBS-UHFFFAOYSA-N 1 0 338.451 3.428 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000800529283 1310778563 /nfs/dbraw/zinc/77/85/63/1310778563.db2.gz HYPALQBLMRDHHX-HNNXBMFYSA-N 1 0 340.192 3.117 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 ZINC000800899736 1310832324 /nfs/dbraw/zinc/83/23/24/1310832324.db2.gz VFBJNSMQICSZPM-IBGZPJMESA-N 1 0 338.451 3.024 20 10 EGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000824596053 1320268871 /nfs/dbraw/zinc/26/88/71/1320268871.db2.gz FRYKARYCFSXPCH-HZMBPMFUSA-N 1 0 346.265 3.314 20 10 EGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1(Cl)Cl ZINC000824758438 1320283078 /nfs/dbraw/zinc/28/30/78/1320283078.db2.gz WHQMVATUKQZGDR-OAHLLOKOSA-N 1 0 329.271 3.197 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CCC[C@H]2CCOC2)c1O ZINC000825134088 1320313589 /nfs/dbraw/zinc/31/35/89/1320313589.db2.gz UTNJJAFYTPROAM-NSHDSACASA-N 1 0 344.249 3.070 20 10 EGCDRO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000826048167 1320380793 /nfs/dbraw/zinc/38/07/93/1320380793.db2.gz FMRLOXXXFAUILE-RBSFLKMASA-N 1 0 340.261 3.280 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000801981730 1316973715 /nfs/dbraw/zinc/97/37/15/1316973715.db2.gz AJTFVINDYXMGBL-KRWDZBQOSA-N 1 0 347.503 3.436 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000802657865 1317023297 /nfs/dbraw/zinc/02/32/97/1317023297.db2.gz AYTQTOZBPDRQKP-UHFFFAOYSA-N 1 0 331.391 3.474 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1O ZINC000802656694 1317024178 /nfs/dbraw/zinc/02/41/78/1317024178.db2.gz OIXXJOPJBRJTFC-INIZCTEOSA-N 1 0 335.831 3.494 20 10 EGCDRO CCOc1ncccc1C[NH2+]Cc1c(O)cccc1Br ZINC000858093998 1328680433 /nfs/dbraw/zinc/68/04/33/1328680433.db2.gz CFABRUXYAVIZHN-UHFFFAOYSA-N 1 0 337.217 3.238 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C)cc3)C2)cc1C ZINC001019697365 1317344719 /nfs/dbraw/zinc/34/47/19/1317344719.db2.gz YEDSMHYMGASGFH-IBGZPJMESA-N 1 0 338.451 3.316 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000858137493 1328693072 /nfs/dbraw/zinc/69/30/72/1328693072.db2.gz RWLJNKYPAFUAIC-MRXNPFEDSA-N 1 0 336.229 3.152 20 10 EGCDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858139420 1328693619 /nfs/dbraw/zinc/69/36/19/1328693619.db2.gz UHCIRDFHTDQFAS-SCLBCKFNSA-N 1 0 334.410 3.285 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](CCO)c2ccccc2)cc1F ZINC000858142766 1328694852 /nfs/dbraw/zinc/69/48/52/1328694852.db2.gz LUZDAQKVONGKKP-HNNXBMFYSA-N 1 0 334.410 3.287 20 10 EGCDRO C[C@@H](CCO)C1(C[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000858156440 1328698212 /nfs/dbraw/zinc/69/82/12/1328698212.db2.gz WCKKTEMNRPHDGA-LBPRGKRZSA-N 1 0 342.277 3.433 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccoc3Cl)C2)cc1C ZINC001020109608 1317547265 /nfs/dbraw/zinc/54/72/65/1317547265.db2.gz VVQPSWWDDJEKQS-HDJSIYSDSA-N 1 0 348.830 3.301 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[C@@H](F)C3)C2)cc1C ZINC001020142552 1317559645 /nfs/dbraw/zinc/55/96/45/1317559645.db2.gz GAOMMVSTQTXJSO-MHORFTMASA-N 1 0 348.462 3.269 20 10 EGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858194988 1328708026 /nfs/dbraw/zinc/70/80/26/1328708026.db2.gz NYWXKZDKDTZZIA-ORAYPTAESA-N 1 0 334.410 3.285 20 10 EGCDRO CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000903026993 1317641830 /nfs/dbraw/zinc/64/18/30/1317641830.db2.gz YEIHTNPAXYPEKH-FUHIMQAGSA-N 1 0 332.488 3.459 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808425658 1317675242 /nfs/dbraw/zinc/67/52/42/1317675242.db2.gz GJQYNELCCQDMNU-OAHLLOKOSA-N 1 0 341.329 3.243 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c1O ZINC000903238730 1317679353 /nfs/dbraw/zinc/67/93/53/1317679353.db2.gz VANQNGRQNGDOJH-GFCCVEGCSA-N 1 0 336.432 3.109 20 10 EGCDRO CC[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(Br)ccc1O ZINC000903409413 1317698148 /nfs/dbraw/zinc/69/81/48/1317698148.db2.gz WNPYWMHJRMKNCG-UONOGXRCSA-N 1 0 328.250 3.356 20 10 EGCDRO Cc1cncc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903447816 1317701062 /nfs/dbraw/zinc/70/10/62/1317701062.db2.gz CVOSCMKPFDVVPL-JXFKEZNVSA-N 1 0 326.488 3.410 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1O ZINC000808675159 1317714086 /nfs/dbraw/zinc/71/40/86/1317714086.db2.gz YBSFBZVTAGHLAA-UKRRQHHQSA-N 1 0 335.831 3.445 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c1O ZINC000808700486 1317717921 /nfs/dbraw/zinc/71/79/21/1317717921.db2.gz LSVSPVUKLXAVFQ-MLGOLLRUSA-N 1 0 328.909 3.442 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1O ZINC000808692201 1317718022 /nfs/dbraw/zinc/71/80/22/1317718022.db2.gz QGNUMHLFTWUDDG-CYBMUJFWSA-N 1 0 326.868 3.115 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000808710803 1317719855 /nfs/dbraw/zinc/71/98/55/1317719855.db2.gz VPUQBZVQDZLBIX-RVSPLBMKSA-N 1 0 325.836 3.343 20 10 EGCDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858251918 1328722935 /nfs/dbraw/zinc/72/29/35/1328722935.db2.gz XDBIIOPUTCECPZ-UHFFFAOYSA-N 1 0 347.409 3.303 20 10 EGCDRO CCC[N@H+](CCN1CCCCC1)Cc1cc(OC)c(OC)cc1O ZINC000809704793 1317869086 /nfs/dbraw/zinc/86/90/86/1317869086.db2.gz GVGPTZVBHNFUAO-UHFFFAOYSA-N 1 0 336.476 3.107 20 10 EGCDRO CCC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809757796 1317894773 /nfs/dbraw/zinc/89/47/73/1317894773.db2.gz XXWMJEUQYMNKPA-UHFFFAOYSA-N 1 0 329.828 3.118 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c1 ZINC000809774904 1317897186 /nfs/dbraw/zinc/89/71/86/1317897186.db2.gz UNWUKWYSRBLLQX-CVEARBPZSA-N 1 0 329.440 3.387 20 10 EGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000809790196 1317901997 /nfs/dbraw/zinc/90/19/97/1317901997.db2.gz CEMHWTKMAFSEOQ-MRXNPFEDSA-N 1 0 342.277 3.448 20 10 EGCDRO CC[C@H]([NH2+]CCC(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810210104 1317975749 /nfs/dbraw/zinc/97/57/49/1317975749.db2.gz NDSLHNHDUMGTFF-ZDUSSCGKSA-N 1 0 332.366 3.366 20 10 EGCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810224783 1317979997 /nfs/dbraw/zinc/97/99/97/1317979997.db2.gz XVKGRYYFDMFVJH-GXTWGEPZSA-N 1 0 344.377 3.463 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810226328 1317980500 /nfs/dbraw/zinc/98/05/00/1317980500.db2.gz DLIAUYSBZJMEER-OCCSQVGLSA-N 1 0 344.377 3.461 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810227685 1317981390 /nfs/dbraw/zinc/98/13/90/1317981390.db2.gz ZTDGCBMQQSIIGX-SMDDNHRTSA-N 1 0 342.361 3.215 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000858332382 1328739310 /nfs/dbraw/zinc/73/93/10/1328739310.db2.gz TYTOAQHVMUDPTD-QGZVFWFLSA-N 1 0 335.831 3.103 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c1 ZINC000811518461 1318194831 /nfs/dbraw/zinc/19/48/31/1318194831.db2.gz LGASFSFNMBPGPA-UHFFFAOYSA-N 1 0 325.408 3.457 20 10 EGCDRO OCc1cc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc[nH+]1 ZINC000858385572 1328750102 /nfs/dbraw/zinc/75/01/02/1328750102.db2.gz DKKVMJWVKSWZEL-UHFFFAOYSA-N 1 0 349.381 3.256 20 10 EGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000811864148 1318281285 /nfs/dbraw/zinc/28/12/85/1318281285.db2.gz ONSUVDLCPXZNCB-KRWDZBQOSA-N 1 0 346.519 3.206 20 10 EGCDRO OCc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc[nH+]1 ZINC000858427764 1328759871 /nfs/dbraw/zinc/75/98/71/1328759871.db2.gz KFDANNLSNLKNMW-AWEZNQCLSA-N 1 0 349.381 3.256 20 10 EGCDRO CCn1nncc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000858439904 1328762733 /nfs/dbraw/zinc/76/27/33/1328762733.db2.gz JRPQUKRQBAYZDJ-CQSZACIVSA-N 1 0 331.439 3.278 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cccc(OC)c2O)OC)c1 ZINC000858442819 1328763095 /nfs/dbraw/zinc/76/30/95/1328763095.db2.gz NNQQYCOHDMDQET-FZKQIMNGSA-N 1 0 331.412 3.448 20 10 EGCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CCC)Cc1ccccc1O ZINC000812506912 1318403777 /nfs/dbraw/zinc/40/37/77/1318403777.db2.gz DFOFXFUPYXYULF-MRXNPFEDSA-N 1 0 335.492 3.434 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1F ZINC000813792357 1318632788 /nfs/dbraw/zinc/63/27/88/1318632788.db2.gz XDCXSJNRZKUGMF-OAHLLOKOSA-N 1 0 331.410 3.399 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)c1 ZINC000813882792 1318650315 /nfs/dbraw/zinc/65/03/15/1318650315.db2.gz KTLHIHIAPLDREZ-ZDUSSCGKSA-N 1 0 338.407 3.104 20 10 EGCDRO Cc1cc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)ccc1N(C)C ZINC000815032274 1318871663 /nfs/dbraw/zinc/87/16/63/1318871663.db2.gz DKHACLIXKPVVQA-FQEVSTJZSA-N 1 0 337.467 3.124 20 10 EGCDRO CC1(C)OCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000815573651 1319017736 /nfs/dbraw/zinc/01/77/36/1319017736.db2.gz PONHPZPSJGGDHX-INIZCTEOSA-N 1 0 340.414 3.414 20 10 EGCDRO CC[S@](=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815579666 1319019716 /nfs/dbraw/zinc/01/97/16/1319019716.db2.gz SCJZWNWUDMIPPT-JPYJTQIMSA-N 1 0 331.481 3.424 20 10 EGCDRO Oc1c(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816549296 1319180236 /nfs/dbraw/zinc/18/02/36/1319180236.db2.gz JRKGTRZCQNASDJ-IBGZPJMESA-N 1 0 340.467 3.278 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)[C@@]12CCCO2 ZINC000816569313 1319186023 /nfs/dbraw/zinc/18/60/23/1319186023.db2.gz HQJVZLJGXQPJIW-NSHGMRRFSA-N 1 0 327.424 3.362 20 10 EGCDRO Oc1c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)ccc2ccccc21 ZINC000816601292 1319192144 /nfs/dbraw/zinc/19/21/44/1319192144.db2.gz XAIYDQPYTHOTFI-QGZVFWFLSA-N 1 0 340.467 3.090 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000817155375 1319285269 /nfs/dbraw/zinc/28/52/69/1319285269.db2.gz XIQQMGYBOMZTQF-UHFFFAOYSA-N 1 0 346.519 3.205 20 10 EGCDRO C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817585837 1319406060 /nfs/dbraw/zinc/40/60/60/1319406060.db2.gz JBEUWDHEKJMZRK-HNNXBMFYSA-N 1 0 336.451 3.008 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000817941007 1319468071 /nfs/dbraw/zinc/46/80/71/1319468071.db2.gz IGTIIVFBSAJPAQ-FBBABVLZSA-N 1 0 338.499 3.463 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817945371 1319471880 /nfs/dbraw/zinc/47/18/80/1319471880.db2.gz AMELVFGPIZEWGY-NXEZZACHSA-N 1 0 347.684 3.458 20 10 EGCDRO CC(C)[NH2+]CCCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817954526 1319474495 /nfs/dbraw/zinc/47/44/95/1319474495.db2.gz YKSLDGHLBMNWFA-OAHLLOKOSA-N 1 0 339.911 3.215 20 10 EGCDRO CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817962384 1319477697 /nfs/dbraw/zinc/47/76/97/1319477697.db2.gz IYDULDZULBHKNO-LSDHHAIUSA-N 1 0 339.911 3.345 20 10 EGCDRO COC[C@@]1(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CCC[NH2+]1 ZINC000817974191 1319482684 /nfs/dbraw/zinc/48/26/84/1319482684.db2.gz JCGGCTABIWYECL-UZLBHIALSA-N 1 0 349.494 3.235 20 10 EGCDRO COC[C@]1(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000817972985 1319482794 /nfs/dbraw/zinc/48/27/94/1319482794.db2.gz AQSAQSRGFQCLSG-FXAWDEMLSA-N 1 0 331.504 3.096 20 10 EGCDRO C[NH2+]CCCN(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000818013581 1319492115 /nfs/dbraw/zinc/49/21/15/1319492115.db2.gz BMHOJSAHDXQTDC-UHFFFAOYSA-N 1 0 333.863 3.429 20 10 EGCDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000915685972 1319519701 /nfs/dbraw/zinc/51/97/01/1319519701.db2.gz LTAGXHYWNLZRJS-VQIMIIECSA-N 1 0 331.504 3.222 20 10 EGCDRO COCc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000818220641 1319521679 /nfs/dbraw/zinc/52/16/79/1319521679.db2.gz IAMCIDLXUUNRBG-LJQANCHMSA-N 1 0 340.467 3.458 20 10 EGCDRO COCC1CCC([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818222819 1319522875 /nfs/dbraw/zinc/52/28/75/1319522875.db2.gz WKNCDAXQFJKMMG-LXPRWKDFSA-N 1 0 332.488 3.316 20 10 EGCDRO COc1ccc(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c(O)c1 ZINC000818229056 1319522950 /nfs/dbraw/zinc/52/29/50/1319522950.db2.gz KJWORSFPLZOLHZ-MRXNPFEDSA-N 1 0 334.460 3.095 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cnc(C)nc3C)C2)cc1 ZINC000818341960 1319530785 /nfs/dbraw/zinc/53/07/85/1319530785.db2.gz JNPPKKPZVSBTES-RHSMWYFYSA-N 1 0 340.471 3.279 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC000818963979 1319594166 /nfs/dbraw/zinc/59/41/66/1319594166.db2.gz HGDVCIVILRITLG-LJQANCHMSA-N 1 0 346.471 3.202 20 10 EGCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000818980378 1319601973 /nfs/dbraw/zinc/60/19/73/1319601973.db2.gz JGXGUVIYMHGKNA-FQEVSTJZSA-N 1 0 334.504 3.333 20 10 EGCDRO CCCC[N@H+](Cc1cncc(C(=O)OC)c1)Cc1ccccc1O ZINC000930350063 1328839311 /nfs/dbraw/zinc/83/93/11/1328839311.db2.gz FHEJHCJKKVPAMF-UHFFFAOYSA-N 1 0 328.412 3.376 20 10 EGCDRO Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997163 1319609962 /nfs/dbraw/zinc/60/99/62/1319609962.db2.gz TWGQNKMBIMQFPH-UHFFFAOYSA-N 1 0 328.387 3.187 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000818996395 1319610252 /nfs/dbraw/zinc/61/02/52/1319610252.db2.gz GMHMUPXZSPGUIK-MRXNPFEDSA-N 1 0 348.240 3.207 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C2CC2)cc1 ZINC000917013885 1319738603 /nfs/dbraw/zinc/73/86/03/1319738603.db2.gz HWLZIGHDIFLZBZ-FQEVSTJZSA-N 1 0 340.467 3.157 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(O)c(C(C)(C)C)c1 ZINC000819897505 1319795033 /nfs/dbraw/zinc/79/50/33/1319795033.db2.gz QOYBOTKAIJQZDS-INIZCTEOSA-N 1 0 328.460 3.427 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000918206477 1319934597 /nfs/dbraw/zinc/93/45/97/1319934597.db2.gz HTTGGYOXINSXSJ-KRWDZBQOSA-N 1 0 346.519 3.064 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000918701235 1319991432 /nfs/dbraw/zinc/99/14/32/1319991432.db2.gz PUCQPALWNPSVMN-FQEVSTJZSA-N 1 0 339.483 3.473 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 ZINC000822508308 1320090095 /nfs/dbraw/zinc/09/00/95/1320090095.db2.gz SWGCIPWCYRICHY-WMZOPIPTSA-N 1 0 345.487 3.194 20 10 EGCDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)[nH]c1C ZINC000823848584 1320211031 /nfs/dbraw/zinc/21/10/31/1320211031.db2.gz YKKHSVZKVBPDQF-UHFFFAOYSA-N 1 0 329.444 3.164 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[C@@H](C)O1 ZINC000823854998 1320211774 /nfs/dbraw/zinc/21/17/74/1320211774.db2.gz ASTLBQRHRBGCRG-OMNBBPDLSA-N 1 0 338.879 3.166 20 10 EGCDRO CC[S@](=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823876256 1320213104 /nfs/dbraw/zinc/21/31/04/1320213104.db2.gz KXCXOGZHRKBWTF-QFIPXVFZSA-N 1 0 336.526 3.243 20 10 EGCDRO COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824575135 1320265430 /nfs/dbraw/zinc/26/54/30/1320265430.db2.gz BTLUZJNTMYYYBY-HNNXBMFYSA-N 1 0 334.504 3.472 20 10 EGCDRO C[N@H+](Cc1cc(Br)ccc1O)[C@H](CO)c1ccccc1 ZINC000824696402 1320277674 /nfs/dbraw/zinc/27/76/74/1320277674.db2.gz MLWWJECFEDQCBC-OAHLLOKOSA-N 1 0 336.229 3.320 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000824847509 1320291493 /nfs/dbraw/zinc/29/14/93/1320291493.db2.gz ZXHWXXXJHAQRLC-LEWJYISDSA-N 1 0 344.499 3.051 20 10 EGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2[O-])C[C@H]1C ZINC000824855920 1320291650 /nfs/dbraw/zinc/29/16/50/1320291650.db2.gz SAIHTHCMAALNQU-DOMZBBRYSA-N 1 0 341.293 3.459 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000824948604 1320299274 /nfs/dbraw/zinc/29/92/74/1320299274.db2.gz RUWDDQDXPNVHCC-WMZOPIPTSA-N 1 0 328.412 3.196 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000825188661 1320316676 /nfs/dbraw/zinc/31/66/76/1320316676.db2.gz MBRHAUACMHVPLO-SJORKVTESA-N 1 0 325.456 3.260 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000825184862 1320316848 /nfs/dbraw/zinc/31/68/48/1320316848.db2.gz AYVWBXVVJLEIOG-UHFFFAOYSA-N 1 0 334.213 3.379 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1Cl ZINC000825298254 1320325210 /nfs/dbraw/zinc/32/52/10/1320325210.db2.gz XQYDKLDRVAAYAI-HNNXBMFYSA-N 1 0 327.758 3.455 20 10 EGCDRO C[C@@H]1CN(Cc2ccc(Br)cc2O)CC[N@@H+](C2CC2)C1 ZINC000826023889 1320379418 /nfs/dbraw/zinc/37/94/18/1320379418.db2.gz JNKHYYHBBINLEL-GFCCVEGCSA-N 1 0 339.277 3.071 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccnc2N2CCCC2)c1O ZINC000826899247 1320412143 /nfs/dbraw/zinc/41/21/43/1320412143.db2.gz HLXGFHSCFVXTQJ-UHFFFAOYSA-N 1 0 347.846 3.339 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)C[C@@H]2COCCO2)cc1 ZINC000827139566 1320429504 /nfs/dbraw/zinc/42/95/04/1320429504.db2.gz CHDBEQXBWICPQI-GOSISDBHSA-N 1 0 346.496 3.232 20 10 EGCDRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(N(C)C)c(C)c1 ZINC000839125591 1320875389 /nfs/dbraw/zinc/87/53/89/1320875389.db2.gz JWGGNHLNOMMQOW-UHFFFAOYSA-N 1 0 344.503 3.060 20 10 EGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839170810 1320884066 /nfs/dbraw/zinc/88/40/66/1320884066.db2.gz TXKDLFCPTNMJTJ-KRWDZBQOSA-N 1 0 336.451 3.053 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C(C)(C)c2ccccc2)cc1 ZINC000839596173 1320942725 /nfs/dbraw/zinc/94/27/25/1320942725.db2.gz SJOMTXDIVXTLQG-UHFFFAOYSA-N 1 0 339.483 3.236 20 10 EGCDRO COc1ccc2c(c1)C[N@@H+](Cc1c(O)ccc3ccncc31)CCO2 ZINC000840133651 1321036609 /nfs/dbraw/zinc/03/66/09/1321036609.db2.gz PADBRTKYMZLPCQ-UHFFFAOYSA-N 1 0 336.391 3.344 20 10 EGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(C)cc1O ZINC000840796536 1321150287 /nfs/dbraw/zinc/15/02/87/1321150287.db2.gz GCGLXHKFWMZQRL-SJLPKXTDSA-N 1 0 349.471 3.157 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c(O)c1 ZINC000840866790 1321164945 /nfs/dbraw/zinc/16/49/45/1321164945.db2.gz ZUINJOOQZWFDKT-GDBMZVCRSA-N 1 0 328.412 3.472 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(C)cc1O ZINC000840866866 1321165083 /nfs/dbraw/zinc/16/50/83/1321165083.db2.gz NNSCSHMODXYZEO-MRXNPFEDSA-N 1 0 333.453 3.345 20 10 EGCDRO CC[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000840876039 1321167031 /nfs/dbraw/zinc/16/70/31/1321167031.db2.gz IYAHLJNCRFUELI-CYBMUJFWSA-N 1 0 333.881 3.300 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)ccc1O ZINC000840882406 1321169311 /nfs/dbraw/zinc/16/93/11/1321169311.db2.gz NUIHIWPQEYXTCN-ZBEGNZNMSA-N 1 0 332.350 3.127 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000840935838 1321181202 /nfs/dbraw/zinc/18/12/02/1321181202.db2.gz AFXTVPFMXVVXAJ-KRWDZBQOSA-N 1 0 332.488 3.079 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000840950985 1321184892 /nfs/dbraw/zinc/18/48/92/1321184892.db2.gz WIRRERBIQOHTOJ-UHFFFAOYSA-N 1 0 335.451 3.203 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000840950714 1321185002 /nfs/dbraw/zinc/18/50/02/1321185002.db2.gz NDMUZWGLEDBQEG-QUCCMNQESA-N 1 0 325.456 3.466 20 10 EGCDRO COCCC[N@H+](Cc1ccncc1)Cc1ccc(N(C)C)cc1C ZINC000840949488 1321185052 /nfs/dbraw/zinc/18/50/52/1321185052.db2.gz YJAGPTUYBAQHQU-UHFFFAOYSA-N 1 0 327.472 3.495 20 10 EGCDRO COc1cccc(C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)c1O ZINC000840973138 1321191146 /nfs/dbraw/zinc/19/11/46/1321191146.db2.gz ZAHDQQVXVOEOJV-UHFFFAOYSA-N 1 0 338.448 3.090 20 10 EGCDRO CC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841296049 1321248426 /nfs/dbraw/zinc/24/84/26/1321248426.db2.gz ODUBOZRURJVGFZ-IBGZPJMESA-N 1 0 338.455 3.397 20 10 EGCDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841298183 1321249044 /nfs/dbraw/zinc/24/90/44/1321249044.db2.gz NECITQPOXRDUNX-AWEZNQCLSA-N 1 0 339.443 3.011 20 10 EGCDRO C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841308366 1321252155 /nfs/dbraw/zinc/25/21/55/1321252155.db2.gz PIXUDHIXAUCFIC-GFCCVEGCSA-N 1 0 329.400 3.003 20 10 EGCDRO C[NH2+]Cc1cccc(NC(=O)NCCCSc2nccs2)c1 ZINC000841318326 1321255399 /nfs/dbraw/zinc/25/53/99/1321255399.db2.gz WUEQHMXUZCOLGT-UHFFFAOYSA-N 1 0 336.486 3.166 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(Cl)cc1O ZINC000841752866 1321306434 /nfs/dbraw/zinc/30/64/34/1321306434.db2.gz QMUMOGUCWHNTRL-SECBINFHSA-N 1 0 345.873 3.361 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(=O)NCCc1ccccc1 ZINC000841758068 1321307145 /nfs/dbraw/zinc/30/71/45/1321307145.db2.gz RUVHZZANYKRBNW-ZIAGYGMSSA-N 1 0 346.858 3.444 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCOCC2)c2c1c(F)ccc2O ZINC000841763738 1321308786 /nfs/dbraw/zinc/30/87/86/1321308786.db2.gz QLKDQMOUTKNKJE-OCCSQVGLSA-N 1 0 337.435 3.237 20 10 EGCDRO O=C(NCC1CC[NH2+]CC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841923345 1321329847 /nfs/dbraw/zinc/32/98/47/1321329847.db2.gz CZMHTRHUGLDHME-UHFFFAOYSA-N 1 0 345.487 3.236 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000841927378 1321330411 /nfs/dbraw/zinc/33/04/11/1321330411.db2.gz KWVZZTVHINQSML-AEFFLSMTSA-N 1 0 346.519 3.061 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CO1 ZINC000842674035 1321416210 /nfs/dbraw/zinc/41/62/10/1321416210.db2.gz WJGBAYZXNXFJPD-GXTWGEPZSA-N 1 0 326.387 3.024 20 10 EGCDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052888 1321462533 /nfs/dbraw/zinc/46/25/33/1321462533.db2.gz XOYDWZLCIFUOSM-WBVHZDCISA-N 1 0 346.475 3.144 20 10 EGCDRO C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349657 1321503427 /nfs/dbraw/zinc/50/34/27/1321503427.db2.gz HTKMODGBEQXBAZ-LBPRGKRZSA-N 1 0 345.393 3.203 20 10 EGCDRO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349716 1321503591 /nfs/dbraw/zinc/50/35/91/1321503591.db2.gz JNXFAJRXLAXJCD-LBPRGKRZSA-N 1 0 345.393 3.203 20 10 EGCDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350784 1321504520 /nfs/dbraw/zinc/50/45/20/1321504520.db2.gz YQFMPJPSAHWLFU-MAUKXSAKSA-N 1 0 329.488 3.078 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)CCCC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843479480 1321521821 /nfs/dbraw/zinc/52/18/21/1321521821.db2.gz PUXRMAXQTIDYRK-ZDUSSCGKSA-N 1 0 331.435 3.481 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000843487889 1321522108 /nfs/dbraw/zinc/52/21/08/1321522108.db2.gz LEGOQGNACGWXPR-TXPKVOOTSA-N 1 0 338.451 3.480 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000843486399 1321522348 /nfs/dbraw/zinc/52/23/48/1321522348.db2.gz SSXXBGQXSNHAMX-IRXDYDNUSA-N 1 0 338.451 3.482 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccccc2)c1 ZINC000845971891 1321760207 /nfs/dbraw/zinc/76/02/07/1321760207.db2.gz NPAKQBHCNGJVHF-KBPBESRZSA-N 1 0 328.412 3.469 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H]1c1ccccc1 ZINC000846069086 1321766100 /nfs/dbraw/zinc/76/61/00/1321766100.db2.gz BHVUTIFBDHBPFR-ZWKOTPCHSA-N 1 0 325.408 3.089 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)COCC2CC2)c1O ZINC000846073670 1321766311 /nfs/dbraw/zinc/76/63/11/1321766311.db2.gz OQHOHYWOFZQQQC-JTQLQIEISA-N 1 0 344.249 3.068 20 10 EGCDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846073974 1321766743 /nfs/dbraw/zinc/76/67/43/1321766743.db2.gz UYRFULZFYVMKNA-HNNXBMFYSA-N 1 0 347.459 3.490 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)N(C)C)c1 ZINC000846137180 1321770164 /nfs/dbraw/zinc/77/01/64/1321770164.db2.gz KVBUEAOCEPHMFY-KBXCAEBGSA-N 1 0 344.455 3.363 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](Cc2ccccc2)N(C)C)c1O ZINC000846135462 1321770287 /nfs/dbraw/zinc/77/02/87/1321770287.db2.gz DAZORJVBOZFLEV-RDJZCZTQSA-N 1 0 328.456 3.224 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCCN2CCc3ccccc3C2)c1O ZINC000846137002 1321770341 /nfs/dbraw/zinc/77/03/41/1321770341.db2.gz PUSOTFADJPHRLI-MRXNPFEDSA-N 1 0 340.467 3.500 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c1O ZINC000846136961 1321770433 /nfs/dbraw/zinc/77/04/33/1321770433.db2.gz OOSDCOVLYBOCBQ-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846141278 1321770888 /nfs/dbraw/zinc/77/08/88/1321770888.db2.gz HLNDWYXAMFVZAC-ZDUSSCGKSA-N 1 0 328.412 3.001 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c1O ZINC000846144455 1321771277 /nfs/dbraw/zinc/77/12/77/1321771277.db2.gz DPOGIBMBZDCOCY-SNVBAGLBSA-N 1 0 329.322 3.010 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000846144187 1321771464 /nfs/dbraw/zinc/77/14/64/1321771464.db2.gz LIFHBYHGNYYRKB-PBHICJAKSA-N 1 0 342.439 3.271 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000846153786 1321771848 /nfs/dbraw/zinc/77/18/48/1321771848.db2.gz IIGPSQLFSMNHCY-YOEHRIQHSA-N 1 0 340.423 3.165 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2cn3cccc(C)c3n2)c1O ZINC000846148279 1321772160 /nfs/dbraw/zinc/77/21/60/1321772160.db2.gz PRZQAJARYQAFKP-AWEZNQCLSA-N 1 0 325.412 3.250 20 10 EGCDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846151472 1321772216 /nfs/dbraw/zinc/77/22/16/1321772216.db2.gz YZIGQMFAJXVEBM-GUYCJALGSA-N 1 0 331.412 3.184 20 10 EGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C2 ZINC000846157983 1321772654 /nfs/dbraw/zinc/77/26/54/1321772654.db2.gz QXERWFZCLNJELG-GXTWGEPZSA-N 1 0 329.396 3.064 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)c1O ZINC000846160619 1321773064 /nfs/dbraw/zinc/77/30/64/1321773064.db2.gz ULKCYCMIZYVVGC-QXGUJMOYSA-N 1 0 335.444 3.373 20 10 EGCDRO C[NH+](C)C[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000846655275 1321799117 /nfs/dbraw/zinc/79/91/17/1321799117.db2.gz GRPLDJXGMFCCFS-GFCCVEGCSA-N 1 0 338.860 3.182 20 10 EGCDRO C[NH+](C)CCc1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000847488030 1321874506 /nfs/dbraw/zinc/87/45/06/1321874506.db2.gz QYILSHVIHRPWSN-UHFFFAOYSA-N 1 0 349.525 3.159 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O ZINC000848882634 1322028759 /nfs/dbraw/zinc/02/87/59/1322028759.db2.gz WKJXCMITMSPOSR-INIZCTEOSA-N 1 0 344.499 3.425 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(OCCO)c(OC)c2)c1O ZINC000848895167 1322034549 /nfs/dbraw/zinc/03/45/49/1322034549.db2.gz RHALZIKQPFYOJT-AWEZNQCLSA-N 1 0 345.439 3.185 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1O ZINC000848908998 1322041461 /nfs/dbraw/zinc/04/14/61/1322041461.db2.gz HTIVNTKBMWJHIZ-GOSISDBHSA-N 1 0 339.439 3.351 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1O ZINC000848911308 1322043572 /nfs/dbraw/zinc/04/35/72/1322043572.db2.gz FSHSOYBUSAJOKP-HNNXBMFYSA-N 1 0 342.439 3.055 20 10 EGCDRO Cc1cnc(OC2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)nc1 ZINC000848924825 1322046589 /nfs/dbraw/zinc/04/65/89/1322046589.db2.gz CDXCRRULBKQRKH-UHFFFAOYSA-N 1 0 347.846 3.496 20 10 EGCDRO CC(C)Cc1nsc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000849347321 1322115981 /nfs/dbraw/zinc/11/59/81/1322115981.db2.gz CSSGDXVACFYITG-UHFFFAOYSA-N 1 0 345.516 3.101 20 10 EGCDRO COc1cccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000920258332 1322156133 /nfs/dbraw/zinc/15/61/33/1322156133.db2.gz MPUVTYXLBQWNHA-UHFFFAOYSA-N 1 0 325.456 3.083 20 10 EGCDRO COc1cc(C[NH2+]CCCn2ccnc2C)c(O)c(C(C)(C)C)c1 ZINC000850036114 1322186174 /nfs/dbraw/zinc/18/61/74/1322186174.db2.gz DVUKATZLSLIWBA-UHFFFAOYSA-N 1 0 331.460 3.383 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850186183 1322204312 /nfs/dbraw/zinc/20/43/12/1322204312.db2.gz OPAIILJQWJLHDN-FZKQIMNGSA-N 1 0 332.488 3.271 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)Cc2cc(C)n[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850196270 1322205133 /nfs/dbraw/zinc/20/51/33/1322205133.db2.gz SBPQNQXETTZLKB-LBPRGKRZSA-N 1 0 331.460 3.451 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](COC)c2cccc(OC)c2)c(O)c1 ZINC000850362206 1322235168 /nfs/dbraw/zinc/23/51/68/1322235168.db2.gz JPBZMVKJNVSEKD-SFHVURJKSA-N 1 0 331.412 3.277 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnc4ccccc4c3)cc2)CC1 ZINC000850406155 1322240440 /nfs/dbraw/zinc/24/04/40/1322240440.db2.gz UUHFRYLEDNCTNE-UHFFFAOYSA-N 1 0 347.462 3.486 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405947 1322240777 /nfs/dbraw/zinc/24/07/77/1322240777.db2.gz LOQVCXCVUIWMEC-UHFFFAOYSA-N 1 0 346.858 3.297 20 10 EGCDRO Oc1ccccc1C[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000850416167 1322242764 /nfs/dbraw/zinc/24/27/64/1322242764.db2.gz CEVAVCGKWPQJHW-LJQANCHMSA-N 1 0 327.424 3.378 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850419104 1322244106 /nfs/dbraw/zinc/24/41/06/1322244106.db2.gz AXZOQNSTSZNXLI-UHFFFAOYSA-N 1 0 326.843 3.396 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000850580832 1322272780 /nfs/dbraw/zinc/27/27/80/1322272780.db2.gz RIJKSQKQUHWBNM-XPTSAGLGSA-N 1 0 341.329 3.202 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C3(C)CC3)C2)cc1C ZINC001023999117 1323071582 /nfs/dbraw/zinc/07/15/82/1323071582.db2.gz LQBHZSKRKVLMEN-QGZVFWFLSA-N 1 0 330.472 3.132 20 10 EGCDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000924727323 1323136365 /nfs/dbraw/zinc/13/63/65/1323136365.db2.gz FCFGXWUSDNCKSR-HKUYNNGSSA-N 1 0 343.515 3.303 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)Cc2ccccc2)c1O ZINC000852289288 1323174445 /nfs/dbraw/zinc/17/44/45/1323174445.db2.gz MRAMQPBWOQTUNA-QGZVFWFLSA-N 1 0 347.842 3.284 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025632466 1324484035 /nfs/dbraw/zinc/48/40/35/1324484035.db2.gz KRRQKOGOZCMWED-DZGCQCFKSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)/C=C(/C)C3CC3)C2)cc1C ZINC001026710899 1324987456 /nfs/dbraw/zinc/98/74/56/1324987456.db2.gz DMEGTVSRZQYWGJ-VHUCWBOISA-N 1 0 342.483 3.298 20 10 EGCDRO Cc1[nH+]ccc(NCc2ccc(N3CCC(O)CC3)cc2)c1Cl ZINC000853955153 1325191502 /nfs/dbraw/zinc/19/15/02/1325191502.db2.gz HSIZVMMJZLWTPE-UHFFFAOYSA-N 1 0 331.847 3.039 20 10 EGCDRO Oc1cccc(Br)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000862234176 1329468961 /nfs/dbraw/zinc/46/89/61/1329468961.db2.gz GSGLFCQJIVRNQX-CYBMUJFWSA-N 1 0 339.277 3.215 20 10 EGCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862352059 1329476925 /nfs/dbraw/zinc/47/69/25/1329476925.db2.gz XHHIBPATXOCVBC-NWDGAFQWSA-N 1 0 328.250 3.280 20 10 EGCDRO C[C@H]1CN(Cc2c(O)cccc2Br)CC[N@@H+](C2CC2)C1 ZINC000862380612 1329480670 /nfs/dbraw/zinc/48/06/70/1329480670.db2.gz KTOVCQUOXXVDQB-LBPRGKRZSA-N 1 0 339.277 3.071 20 10 EGCDRO COC(=O)c1cnc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)s1 ZINC000862473768 1329489140 /nfs/dbraw/zinc/48/91/40/1329489140.db2.gz FINBRYUQQMMAHN-UHFFFAOYSA-N 1 0 346.452 3.323 20 10 EGCDRO Cc1cc(C[NH2+]C[C@H](O)CCOC(C)C)c(C)n1-c1ccccc1 ZINC000863583213 1329564860 /nfs/dbraw/zinc/56/48/60/1329564860.db2.gz QOOIBLICQZAOGF-HXUWFJFHSA-N 1 0 330.472 3.360 20 10 EGCDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)c1ccccc1O ZINC000868479061 1330284506 /nfs/dbraw/zinc/28/45/06/1330284506.db2.gz QUFKNVWNRFZJOG-HZPDHXFCSA-N 1 0 341.455 3.273 20 10 EGCDRO CC(C)[NH+]1CCC(CCNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868947907 1330380599 /nfs/dbraw/zinc/38/05/99/1330380599.db2.gz SLSUOLYTKQTMNQ-OAHLLOKOSA-N 1 0 333.476 3.263 20 10 EGCDRO CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945221672 1332534710 /nfs/dbraw/zinc/53/47/10/1332534710.db2.gz KOGCVILTXUNBTC-CJNGLKHVSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1C ZINC001018440069 1339619691 /nfs/dbraw/zinc/61/96/91/1339619691.db2.gz CJAXFTDUGUJSJI-SFHVURJKSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccccc3C)C2)cc1C ZINC001018444791 1339622346 /nfs/dbraw/zinc/62/23/46/1339622346.db2.gz XIBCTTBAWQBIQD-SFHVURJKSA-N 1 0 338.451 3.316 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3oc(C)cc3C)C2)cc1C ZINC001018685379 1339701710 /nfs/dbraw/zinc/70/17/10/1339701710.db2.gz RJKDODRGEGUNNK-KRWDZBQOSA-N 1 0 342.439 3.218 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C)CC2)cc1C ZINC001034588064 1342633284 /nfs/dbraw/zinc/63/32/84/1342633284.db2.gz OHPCWECOBQNMQX-PILAGYSTSA-N 1 0 330.472 3.177 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C(F)=C(C)C)cc1C ZINC001034905249 1342831539 /nfs/dbraw/zinc/83/15/39/1342831539.db2.gz NNAXVWMRSPCWAK-MRXNPFEDSA-N 1 0 334.435 3.348 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC=CC3)[C@H](C)C2)cc1C ZINC001044522810 1346355610 /nfs/dbraw/zinc/35/56/10/1346355610.db2.gz JPVCHNBVNUEPRF-APWZRJJASA-N 1 0 342.483 3.439 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)cc1C ZINC001045235587 1346537940 /nfs/dbraw/zinc/53/79/40/1346537940.db2.gz QUFZMAPAKFGPKG-GBESFXJTSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C3CCC3)C2)cc1C ZINC001047668329 1347323004 /nfs/dbraw/zinc/32/30/04/1347323004.db2.gz UEOKQDSNNUWWMA-CRAIPNDOSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cocc3C)C[C@@H]2C)cc1C ZINC001054981928 1349536763 /nfs/dbraw/zinc/53/67/63/1349536763.db2.gz QGJDAUZYODWVDB-KBXCAEBGSA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC3CC3)CC[C@H]2C)cc1C ZINC001072157361 1355157779 /nfs/dbraw/zinc/15/77/79/1355157779.db2.gz SRCDNSLUHSXXNH-BEFAXECRSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(C)(C)F)cc1C ZINC001085117106 1358397262 /nfs/dbraw/zinc/39/72/62/1358397262.db2.gz UJMCQNMVYJTDRM-HZPDHXFCSA-N 1 0 336.451 3.269 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2cccc(OC)c2O)cc1OC ZINC001324711483 1387747154 /nfs/dbraw/zinc/74/71/54/1387747154.db2.gz BXVHRFAJKBCHOD-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194375124 1368247650 /nfs/dbraw/zinc/24/76/50/1368247650.db2.gz OOVBYHHQXGYBDN-INIZCTEOSA-N 1 0 345.447 3.041 20 10 EGCDRO CCCC[N@@H+]1CCC[C@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001201706139 1369608621 /nfs/dbraw/zinc/60/86/21/1369608621.db2.gz KPOVWZSRSYSHIJ-HXUWFJFHSA-N 1 0 332.488 3.414 20 10 EGCDRO Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC001202320472 1369738105 /nfs/dbraw/zinc/73/81/05/1369738105.db2.gz GPPHNPCVEHJQBS-UHFFFAOYSA-N 1 0 339.439 3.487 20 10 EGCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](CC4CCC4)C3)C2)cc1 ZINC001202721955 1369865572 /nfs/dbraw/zinc/86/55/72/1369865572.db2.gz KXGMSLLVLRYZPZ-NRFANRHFSA-N 1 0 344.499 3.414 20 10 EGCDRO CCn1ncc2c1C[N@H+](Cc1ccccc1O)C[C@H]2COCC1CC1 ZINC001203551276 1370166672 /nfs/dbraw/zinc/16/66/72/1370166672.db2.gz AERVGTCNBJTXNV-KRWDZBQOSA-N 1 0 341.455 3.135 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2ccccc2O)Cc2cnn(CC3CC3)c21 ZINC001203552675 1370167655 /nfs/dbraw/zinc/16/76/55/1370167655.db2.gz QARDRJQLTSMTLB-GOSISDBHSA-N 1 0 341.455 3.135 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](CCOC)CO3)C2)c1O ZINC001203608553 1370187094 /nfs/dbraw/zinc/18/70/94/1370187094.db2.gz UCDMQVKMOFOUMW-JXFKEZNVSA-N 1 0 349.471 3.199 20 10 EGCDRO COc1ccc(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)c(O)c1 ZINC001203634574 1370195430 /nfs/dbraw/zinc/19/54/30/1370195430.db2.gz MIJYSBQNFHZQSW-UHFFFAOYSA-N 1 0 338.448 3.138 20 10 EGCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203664380 1370207219 /nfs/dbraw/zinc/20/72/19/1370207219.db2.gz CFBYIIBIZBKUJB-UHFFFAOYSA-N 1 0 339.867 3.061 20 10 EGCDRO O=C1N(CC2CC2)CCC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203665589 1370209020 /nfs/dbraw/zinc/20/90/20/1370209020.db2.gz OINDKRHFCZXNNF-UHFFFAOYSA-N 1 0 348.874 3.270 20 10 EGCDRO Cn1c2ccccc2nc1C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203880745 1370298164 /nfs/dbraw/zinc/29/81/64/1370298164.db2.gz YKBBNCHYUSILAD-UHFFFAOYSA-N 1 0 337.423 3.364 20 10 EGCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931907 1370319433 /nfs/dbraw/zinc/31/94/33/1370319433.db2.gz MFKBAMGXMXFBSO-QUCCMNQESA-N 1 0 332.488 3.160 20 10 EGCDRO CN(C)c1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC001203934596 1370321635 /nfs/dbraw/zinc/32/16/35/1370321635.db2.gz WZKDXXMPIPBBEI-RBBKRZOGSA-N 1 0 335.495 3.459 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)cc1 ZINC001203945862 1370325634 /nfs/dbraw/zinc/32/56/34/1370325634.db2.gz OPQVHLVLTOSFIK-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c2ccccc21 ZINC001204233760 1370417534 /nfs/dbraw/zinc/41/75/34/1370417534.db2.gz VCHSANCZVKPCMP-QGZVFWFLSA-N 1 0 338.373 3.405 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCN(c3cccnn3)CC2)c2ccccc21 ZINC001204241338 1370419519 /nfs/dbraw/zinc/41/95/19/1370419519.db2.gz FLSWCECIYPFYDW-UHFFFAOYSA-N 1 0 347.466 3.018 20 10 EGCDRO Oc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c(O)c1 ZINC001204274550 1370429022 /nfs/dbraw/zinc/42/90/22/1370429022.db2.gz DWPXBAOFEBSXKM-UHFFFAOYSA-N 1 0 341.436 3.030 20 10 EGCDRO Cc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329558 1370445424 /nfs/dbraw/zinc/44/54/24/1370445424.db2.gz PUTRMFRCKDQPRP-LJQANCHMSA-N 1 0 338.455 3.039 20 10 EGCDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001116441490 1370912059 /nfs/dbraw/zinc/91/20/59/1370912059.db2.gz HXFBPASJLHVLHF-UHFFFAOYSA-N 1 0 343.515 3.366 20 10 EGCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116443445 1370912838 /nfs/dbraw/zinc/91/28/38/1370912838.db2.gz WBNZXLCTCCTSKJ-IBGZPJMESA-N 1 0 343.515 3.271 20 10 EGCDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001206325272 1371023027 /nfs/dbraw/zinc/02/30/27/1371023027.db2.gz GXZYRUVNXKTUCX-HNNXBMFYSA-N 1 0 345.256 3.245 20 10 EGCDRO Cc1nc(N2CCCCC2)sc1C[NH2+]CCc1ccc(N)cc1 ZINC001118020722 1371122194 /nfs/dbraw/zinc/12/21/94/1371122194.db2.gz XTKXDPNPWGCRCT-UHFFFAOYSA-N 1 0 330.501 3.356 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC001118858391 1371241956 /nfs/dbraw/zinc/24/19/56/1371241956.db2.gz HNBPCFFZPOXIFG-SFHVURJKSA-N 1 0 346.519 3.064 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](C[C@@H](C)C(F)(F)F)CC2)cc1 ZINC001208890359 1371934117 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C[C@H]1C[NH2+]CCC[C@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001217984892 1373526567 /nfs/dbraw/zinc/52/65/67/1373526567.db2.gz CPFJEZQLGFBMKZ-SUMWQHHRSA-N 1 0 335.403 3.229 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCC(F)(F)C3)cc2F)CC1 ZINC001326918773 1388350524 /nfs/dbraw/zinc/35/05/24/1388350524.db2.gz YFCZTGHXPVGECS-HNNXBMFYSA-N 1 0 341.421 3.103 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2cccc(C)c2)cc1C ZINC001131979653 1375080923 /nfs/dbraw/zinc/08/09/23/1375080923.db2.gz XWRIRHYMCIZNDO-UHFFFAOYSA-N 1 0 340.467 3.151 20 10 EGCDRO C[N@H+](Cc1c[nH]c2cnccc12)Cc1ccc(N2CCOCC2)cc1 ZINC001231518619 1376254775 /nfs/dbraw/zinc/25/47/75/1376254775.db2.gz LDTBTCYUPBYQHW-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1O ZINC001231592218 1376273366 /nfs/dbraw/zinc/27/33/66/1376273366.db2.gz PEJOPJBMMWSHLL-HXUWFJFHSA-N 1 0 332.488 3.023 20 10 EGCDRO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231635315 1376287185 /nfs/dbraw/zinc/28/71/85/1376287185.db2.gz 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COCC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051415 1376972223 /nfs/dbraw/zinc/97/22/23/1376972223.db2.gz LXJUWOGSWVDAST-UHFFFAOYSA-N 1 0 333.350 3.192 20 10 EGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC001237053591 1376972734 /nfs/dbraw/zinc/97/27/34/1376972734.db2.gz NXDCWJLNBJKCHD-SFHVURJKSA-N 1 0 330.472 3.350 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1Br ZINC001237676470 1376983261 /nfs/dbraw/zinc/98/32/61/1376983261.db2.gz IMOKBLHDPUNFLZ-IAQYHMDHSA-N 1 0 328.250 3.056 20 10 EGCDRO C[N@@H+](Cc1ccc(-n2ccnn2)cc1)Cc1ccc(N2CCCC2)cc1 ZINC001137366687 1377533990 /nfs/dbraw/zinc/53/39/90/1377533990.db2.gz LCRKMDXWDUGOLE-UHFFFAOYSA-N 1 0 347.466 3.500 20 10 EGCDRO CN(Cc1c(O)cccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137839080 1377626881 /nfs/dbraw/zinc/62/68/81/1377626881.db2.gz QMADFJCZAQGITO-KRWDZBQOSA-N 1 0 328.431 3.485 20 10 EGCDRO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c(C)n1-c1ccccc1 ZINC001137859208 1377632534 /nfs/dbraw/zinc/63/25/34/1377632534.db2.gz NTDZVCCXQLAEML-IBGZPJMESA-N 1 0 325.456 3.147 20 10 EGCDRO COCCC[NH+]1CCN(Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137858049 1377632559 /nfs/dbraw/zinc/63/25/59/1377632559.db2.gz UTTGZWWGMZUKBW-UHFFFAOYSA-N 1 0 341.499 3.248 20 10 EGCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138129447 1377683014 /nfs/dbraw/zinc/68/30/14/1377683014.db2.gz DGXJGYUPTYFSRL-PKOBYXMFSA-N 1 0 340.442 3.485 20 10 EGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220678 1377690821 /nfs/dbraw/zinc/69/08/21/1377690821.db2.gz MBUDHEAGFJICII-SFHVURJKSA-N 1 0 330.472 3.452 20 10 EGCDRO CCN1CC[C@@]2(CCC[N@H+](Cc3c(C)n(C)c4ccccc43)C2)C1=O ZINC001138255387 1377694349 /nfs/dbraw/zinc/69/43/49/1377694349.db2.gz FMTNOIZSGWILPD-OAQYLSRUSA-N 1 0 339.483 3.321 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CN(Cc2c(C)n(C)c3ccccc32)CCO1 ZINC001138259648 1377694710 /nfs/dbraw/zinc/69/47/10/1377694710.db2.gz LQEPVFMRTLUZCX-QGZVFWFLSA-N 1 0 329.488 3.029 20 10 EGCDRO Cc1c(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c2ccccc2n1C ZINC001138259114 1377694804 /nfs/dbraw/zinc/69/48/04/1377694804.db2.gz BPEUHEABAOSOJX-INIZCTEOSA-N 1 0 336.439 3.238 20 10 EGCDRO CCC(=O)N(C)C1CC[NH+](Cc2c(C)n(C)c3ccccc23)CC1 ZINC001138259540 1377694814 /nfs/dbraw/zinc/69/48/14/1377694814.db2.gz IZJWCKCRYZKQIF-UHFFFAOYSA-N 1 0 327.472 3.320 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138338719 1377705489 /nfs/dbraw/zinc/70/54/89/1377705489.db2.gz UQBSMGIYMHIXEH-QFBILLFUSA-N 1 0 342.483 3.092 20 10 EGCDRO CN1CCCc2cc(C[NH+]3CCN(c4ccc(O)cc4)CC3)ccc21 ZINC001138355008 1377708329 /nfs/dbraw/zinc/70/83/29/1377708329.db2.gz YIFKRMDPDBYBGS-UHFFFAOYSA-N 1 0 337.467 3.097 20 10 EGCDRO FC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(F)(F)F ZINC001138495964 1377733567 /nfs/dbraw/zinc/73/35/67/1377733567.db2.gz KUOMHGPJKGHYFQ-GDBMZVCRSA-N 1 0 346.368 3.103 20 10 EGCDRO CCn1cc2c(n1)CN(Cc1ccc(N(C)C)c(C)c1)C[C@@H]2COC ZINC001139670391 1377930444 /nfs/dbraw/zinc/93/04/44/1377930444.db2.gz LYBPSQCTWXDRIM-QGZVFWFLSA-N 1 0 342.487 3.023 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)ccc1N(C)C ZINC001139669780 1377930618 /nfs/dbraw/zinc/93/06/18/1377930618.db2.gz NGZZBPTWSVQSHS-CJNGLKHVSA-N 1 0 330.394 3.196 20 10 EGCDRO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139671761 1377930960 /nfs/dbraw/zinc/93/09/60/1377930960.db2.gz ZLKXCGPFHACVLJ-SFHVURJKSA-N 1 0 342.487 3.023 20 10 EGCDRO CC(=O)N1CCCCC12CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139672495 1377931041 /nfs/dbraw/zinc/93/10/41/1377931041.db2.gz ZBOYLUKNZQTYEF-UHFFFAOYSA-N 1 0 343.515 3.428 20 10 EGCDRO COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)ccn1 ZINC001139673499 1377931499 /nfs/dbraw/zinc/93/14/99/1377931499.db2.gz DCZKSYHPKZAPKA-GOSISDBHSA-N 1 0 341.455 3.118 20 10 EGCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140055791 1377996886 /nfs/dbraw/zinc/99/68/86/1377996886.db2.gz VGOGORMUKLHLKM-INIZCTEOSA-N 1 0 337.435 3.187 20 10 EGCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140056414 1377997800 /nfs/dbraw/zinc/99/78/00/1377997800.db2.gz WCRWUXYJYHNEPS-CYBMUJFWSA-N 1 0 338.423 3.363 20 10 EGCDRO Oc1cccc(Br)c1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001140103753 1378008569 /nfs/dbraw/zinc/00/85/69/1378008569.db2.gz UCZWFVCGUWMYJJ-LLVKDONJSA-N 1 0 344.224 3.248 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c1O ZINC001140180868 1378027029 /nfs/dbraw/zinc/02/70/29/1378027029.db2.gz NPNJPCHFFJZLKA-FUHWJXTLSA-N 1 0 330.472 3.088 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001140338745 1378048455 /nfs/dbraw/zinc/04/84/55/1378048455.db2.gz OFFFXHLAQWRGPM-ZWKOTPCHSA-N 1 0 343.858 3.289 20 10 EGCDRO Oc1cccc(Cl)c1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001140339079 1378048924 /nfs/dbraw/zinc/04/89/24/1378048924.db2.gz FAJKKESMYLILHC-HUUCEWRRSA-N 1 0 343.858 3.004 20 10 EGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001140461245 1378066046 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COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)cc(OC)c1 ZINC001141143221 1378248666 /nfs/dbraw/zinc/24/86/66/1378248666.db2.gz PMFKAJUTXLJPHG-UHFFFAOYSA-N 1 0 342.439 3.164 20 10 EGCDRO CN1CCOc2cc(C[NH+]3C[C@H]4CN(c5ccccc5)C[C@@H]4C3)ccc21 ZINC001141145403 1378248876 /nfs/dbraw/zinc/24/88/76/1378248876.db2.gz BQPDHSDCYFYZPM-OALUTQOASA-N 1 0 349.478 3.083 20 10 EGCDRO CN1CCOc2cc(C[N@H+](C)CCC(=O)c3cccs3)ccc21 ZINC001141144989 1378248925 /nfs/dbraw/zinc/24/89/25/1378248925.db2.gz NLBFPRMAUCRMDZ-UHFFFAOYSA-N 1 0 330.453 3.282 20 10 EGCDRO COC(=O)c1ccc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141159477 1378254260 /nfs/dbraw/zinc/25/42/60/1378254260.db2.gz HCTHGCPLZYYVKE-UHFFFAOYSA-N 1 0 341.407 3.264 20 10 EGCDRO Oc1cc2c(cc1O)C[N@H+](Cc1cccc(-n3ccnc3)c1)CCC2 ZINC001141244149 1378281473 /nfs/dbraw/zinc/28/14/73/1378281473.db2.gz FXGVCNRFLKGGRK-UHFFFAOYSA-N 1 0 335.407 3.232 20 10 EGCDRO COC[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)Cc2cn(C)nc21 ZINC001143105089 1378541136 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Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CCCC[NH2+]C1 ZINC001157436137 1380894510 /nfs/dbraw/zinc/89/45/10/1380894510.db2.gz ZMYVPLAIKRTNCC-KBXCAEBGSA-N 1 0 330.472 3.138 20 10 EGCDRO Cc1cncc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)n1 ZINC001160616349 1382153962 /nfs/dbraw/zinc/15/39/62/1382153962.db2.gz HPKYPENULMZJTK-RTBURBONSA-N 1 0 336.395 3.049 20 10 EGCDRO OC[C@]1([NH2+]Cc2c(O)cccc2Br)CCc2ccccc21 ZINC001328688917 1388808794 /nfs/dbraw/zinc/80/87/94/1388808794.db2.gz MOAJOGPVDHACHG-QGZVFWFLSA-N 1 0 348.240 3.078 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1C ZINC001163006885 1382945706 /nfs/dbraw/zinc/94/57/06/1382945706.db2.gz OAGSRCBGPOVPKI-LDLYASANSA-N 1 0 344.499 3.426 20 10 EGCDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1c(O)cccc1Br ZINC001328757124 1388845883 /nfs/dbraw/zinc/84/58/83/1388845883.db2.gz LNPMMHMMYHQDEC-UHFFFAOYSA-N 1 0 344.249 3.366 20 10 EGCDRO CNc1cc(Cl)cnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426451 1383631268 /nfs/dbraw/zinc/63/12/68/1383631268.db2.gz FWOPWKDONVDNLB-UHFFFAOYSA-N 1 0 345.878 3.141 20 10 EGCDRO COc1ccc([C@@H]2C[C@H]([NH2+]CCc3ccc(O)c(O)c3)CCO2)cc1 ZINC001168594572 1383944237 /nfs/dbraw/zinc/94/42/37/1383944237.db2.gz IAVKJUFXKHBKPK-UZLBHIALSA-N 1 0 343.423 3.159 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1C(=O)OC(C)(C)C ZINC001168812659 1384015723 /nfs/dbraw/zinc/01/57/23/1384015723.db2.gz RUWDOTOVSFKLLL-CZUORRHYSA-N 1 0 332.444 3.109 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CSC)cc1C ZINC001168994194 1384082009 /nfs/dbraw/zinc/08/20/09/1384082009.db2.gz SIWOWYIVODQDEQ-HNNXBMFYSA-N 1 0 338.517 3.131 20 10 EGCDRO CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001169051572 1384100817 /nfs/dbraw/zinc/10/08/17/1384100817.db2.gz XNVFUUQHFRMILA-XLIONFOSSA-N 1 0 329.440 3.378 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169144654 1384114007 /nfs/dbraw/zinc/11/40/07/1384114007.db2.gz LKMSQFHWFNSECR-ZSHCYNCHSA-N 1 0 339.483 3.170 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC001328924651 1388902619 /nfs/dbraw/zinc/90/26/19/1388902619.db2.gz ZTKWXENQVIXEMV-IAQYHMDHSA-N 1 0 326.234 3.202 20 10 EGCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1 ZINC001169745591 1384181660 /nfs/dbraw/zinc/18/16/60/1384181660.db2.gz MJWQZDXGZARSAB-GOSISDBHSA-N 1 0 338.451 3.403 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169906810 1384196947 /nfs/dbraw/zinc/19/69/47/1384196947.db2.gz XRXONQGOMSILGT-SFHVURJKSA-N 1 0 330.472 3.452 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169906809 1384196961 /nfs/dbraw/zinc/19/69/61/1384196961.db2.gz XRXONQGOMSILGT-GOSISDBHSA-N 1 0 330.472 3.452 20 10 EGCDRO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319691193 1386253863 /nfs/dbraw/zinc/25/38/63/1386253863.db2.gz MAQXCFJFHCTPAQ-HNNXBMFYSA-N 1 0 331.435 3.364 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1 ZINC001320494559 1386627065 /nfs/dbraw/zinc/62/70/65/1386627065.db2.gz SPMIYOOCBLQHQU-KRWDZBQOSA-N 1 0 329.488 3.023 20 10 EGCDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180130139 1386706092 /nfs/dbraw/zinc/70/60/92/1386706092.db2.gz XQJRDFVYMWVYMB-JEJOPICUSA-N 1 0 329.488 3.002 20 10 EGCDRO NC(=O)N=Nc1ccc(C(=O)NCCCCCC[NH2+]CC2CC2)cc1 ZINC001180419249 1386791277 /nfs/dbraw/zinc/79/12/77/1386791277.db2.gz VNPZCXJGDWPZJH-UHFFFAOYSA-N 1 0 345.447 3.139 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccsc1 ZINC001321395200 1386893463 /nfs/dbraw/zinc/89/34/63/1386893463.db2.gz BKJIEYKMSXACIN-AWEZNQCLSA-N 1 0 333.476 3.490 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccsc1 ZINC001337015937 1389236860 /nfs/dbraw/zinc/23/68/60/1389236860.db2.gz MSWRLOSPORUDIK-KRWDZBQOSA-N 1 0 346.500 3.213 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1O ZINC001329919385 1389257148 /nfs/dbraw/zinc/25/71/48/1389257148.db2.gz IGODEYLPNZKKOB-HXUWFJFHSA-N 1 0 343.398 3.218 20 10 EGCDRO CCOc1ccc(N2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)cc1 ZINC001330591894 1389463602 /nfs/dbraw/zinc/46/36/02/1389463602.db2.gz JMAVNERPDSLVBI-FQEVSTJZSA-N 1 0 345.531 3.470 20 10 EGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001338752199 1389752605 /nfs/dbraw/zinc/75/26/05/1389752605.db2.gz UCHDMGOICDKMLL-DLBZAZTESA-N 1 0 333.495 3.493 20 10 EGCDRO Cn1cc([C@@H]2CSCCN2Cc2ccc(N3CCCC3)cc2)cn1 ZINC001343594370 1390725100 /nfs/dbraw/zinc/72/51/00/1390725100.db2.gz BKJXQJSJSOQOMK-IBGZPJMESA-N 1 0 342.512 3.310 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)c1 ZINC001343990474 1390748823 /nfs/dbraw/zinc/74/88/23/1390748823.db2.gz PJBFCVVQEQNCEO-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](O)Cc1ccccc1 ZINC001351330630 1391627871 /nfs/dbraw/zinc/62/78/71/1391627871.db2.gz LBLANYDQSOHYAP-DJJJIMSYSA-N 1 0 334.410 3.113 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2c(C)oc(C)c2C)cc1C ZINC001754274923 1440562021 /nfs/dbraw/zinc/56/20/21/1440562021.db2.gz CTVRMHPBEWGHEX-ZDUSSCGKSA-N 1 0 344.455 3.430 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001754287070 1440564419 /nfs/dbraw/zinc/56/44/19/1440564419.db2.gz MFUFLHGKISLZHZ-JCGIZDLHSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(F)cc(F)c2)cc1C ZINC001754293309 1440565676 /nfs/dbraw/zinc/56/56/76/1440565676.db2.gz OIAARGRTSMDXGC-ZDUSSCGKSA-N 1 0 348.393 3.190 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C3(CCF)CC3)C2)cc1C ZINC001755214231 1440783819 /nfs/dbraw/zinc/78/38/19/1440783819.db2.gz OAHMNKIBSJDMKL-UHFFFAOYSA-N 1 0 348.462 3.128 20 10 EGCDRO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)CCC(C)(C)C ZINC001755327454 1440822523 /nfs/dbraw/zinc/82/25/23/1440822523.db2.gz DOLMVWXNXJMFPA-ZDUSSCGKSA-N 1 0 347.463 3.335 20 10 EGCDRO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001596194892 983577851 /nfs/dbraw/zinc/57/78/51/983577851.db2.gz WIRRLEIMQYGWTI-AWEZNQCLSA-N 1 0 342.439 3.393 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCOC1 ZINC000157716870 455223911 /nfs/dbraw/zinc/22/39/11/455223911.db2.gz PGAPCAONNOSYGP-ZIAGYGMSSA-N 1 0 340.414 3.271 20 10 EGCDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)o1 ZINC000183392779 455287267 /nfs/dbraw/zinc/28/72/67/455287267.db2.gz PCWIDSWHZCERSC-RDJZCZTQSA-N 1 0 330.428 3.018 20 10 EGCDRO C[C@@H](Sc1nccs1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000052914446 453849281 /nfs/dbraw/zinc/84/92/81/453849281.db2.gz IBNGNRUWDZGHHR-HIFRSBDPSA-N 1 0 347.509 3.014 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3C[C@@H]4C=C[C@H]3C4)cc2F)CC1 ZINC000085305127 454023399 /nfs/dbraw/zinc/02/33/99/454023399.db2.gz WYBKDAQYJCVGJH-PVAVHDDUSA-N 1 0 330.447 3.089 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(N(C)C)cc1 ZINC000130228156 454182717 /nfs/dbraw/zinc/18/27/17/454182717.db2.gz KLPVBMQCZDUNAO-OAHLLOKOSA-N 1 0 341.455 3.301 20 10 EGCDRO COc1ccc(F)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071004475 454191897 /nfs/dbraw/zinc/19/18/97/454191897.db2.gz PPSZNDQKMROFAY-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000096438003 454348845 /nfs/dbraw/zinc/34/88/45/454348845.db2.gz USNJKHGEMYQAGG-UHFFFAOYSA-N 1 0 348.450 3.203 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000092145341 454528093 /nfs/dbraw/zinc/52/80/93/454528093.db2.gz IXEKJSBEBUCLGR-UHFFFAOYSA-N 1 0 330.472 3.171 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000184834978 455456438 /nfs/dbraw/zinc/45/64/38/455456438.db2.gz OSDZXUGVILEPCU-UGSOOPFHSA-N 1 0 332.419 3.493 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c(O)c1 ZINC000092814164 454639553 /nfs/dbraw/zinc/63/95/53/454639553.db2.gz LIDXFDZYUBYGST-OAHLLOKOSA-N 1 0 345.443 3.327 20 10 EGCDRO CCOC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093418840 454715078 /nfs/dbraw/zinc/71/50/78/454715078.db2.gz GBLDLWQPKIMRGC-LBPRGKRZSA-N 1 0 328.250 3.403 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC000093088430 454679778 /nfs/dbraw/zinc/67/97/78/454679778.db2.gz QDBGAPYDHRZUQS-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO COc1cccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1O ZINC000161746577 454719329 /nfs/dbraw/zinc/71/93/29/454719329.db2.gz DARSDIUXEVMRNR-UHFFFAOYSA-N 1 0 346.402 3.389 20 10 EGCDRO COCC[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000124431358 454732389 /nfs/dbraw/zinc/73/23/89/454732389.db2.gz ZPXCJSVCKCGJGS-CYBMUJFWSA-N 1 0 328.403 3.271 20 10 EGCDRO COc1cccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000093889631 454744293 /nfs/dbraw/zinc/74/42/93/454744293.db2.gz VHDACGZBHQZVCV-ZLOXQWCVSA-N 1 0 333.453 3.331 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153794151 454833723 /nfs/dbraw/zinc/83/37/23/454833723.db2.gz TUHUGFANEJBYOB-MGPUTAFESA-N 1 0 344.430 3.047 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000178365915 454951773 /nfs/dbraw/zinc/95/17/73/454951773.db2.gz BKXRHAQAJSUDEI-CYBMUJFWSA-N 1 0 329.410 3.430 20 10 EGCDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(N(C)C)cc1 ZINC000178525353 454959237 /nfs/dbraw/zinc/95/92/37/454959237.db2.gz FYOXTINNCPMPSU-INIZCTEOSA-N 1 0 341.503 3.354 20 10 EGCDRO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000179022252 455000347 /nfs/dbraw/zinc/00/03/47/455000347.db2.gz UXWGLWPOVRPYSV-BBVFFXRHSA-N 1 0 337.467 3.175 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1F ZINC000116350243 455052898 /nfs/dbraw/zinc/05/28/98/455052898.db2.gz UWTKYBWGZCPBSQ-INIZCTEOSA-N 1 0 341.430 3.066 20 10 EGCDRO COc1ccc(O)c(CN(C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000179570311 455059796 /nfs/dbraw/zinc/05/97/96/455059796.db2.gz FRWRTVLZZBIDBF-UHFFFAOYSA-N 1 0 328.412 3.088 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000179902102 455095847 /nfs/dbraw/zinc/09/58/47/455095847.db2.gz SCIBDKXRGORYKP-CJNGLKHVSA-N 1 0 328.387 3.378 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1O ZINC000156235623 455096225 /nfs/dbraw/zinc/09/62/25/455096225.db2.gz LIQLMZFCNPPAEO-KRWDZBQOSA-N 1 0 333.453 3.178 20 10 EGCDRO CCCNC(=O)C1CC[NH+](Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000179919606 455099135 /nfs/dbraw/zinc/09/91/35/455099135.db2.gz ABZCIDBMONWVBD-UHFFFAOYSA-N 1 0 349.494 3.410 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000152341206 455104986 /nfs/dbraw/zinc/10/49/86/455104986.db2.gz FYFREXWTQSJQAF-LSDHHAIUSA-N 1 0 329.419 3.469 20 10 EGCDRO Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000179951755 455105110 /nfs/dbraw/zinc/10/51/10/455105110.db2.gz JDVJZKKNVUDSQV-UHFFFAOYSA-N 1 0 339.439 3.359 20 10 EGCDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152528235 455131623 /nfs/dbraw/zinc/13/16/23/455131623.db2.gz YUZWHMVWZNUZCE-HOTGVXAUSA-N 1 0 338.467 3.112 20 10 EGCDRO Oc1ccc(Br)cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129893219 455132631 /nfs/dbraw/zinc/13/26/31/455132631.db2.gz JBMADRUOXQAXPY-NSHDSACASA-N 1 0 326.234 3.156 20 10 EGCDRO OC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000182929562 455193251 /nfs/dbraw/zinc/19/32/51/455193251.db2.gz BDTCETTXGQCPGJ-KRWDZBQOSA-N 1 0 327.424 3.176 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000158496881 455309015 /nfs/dbraw/zinc/30/90/15/455309015.db2.gz KNKJPCAMSQUWKA-HUUCEWRRSA-N 1 0 329.419 3.469 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1OC ZINC000159566234 455386425 /nfs/dbraw/zinc/38/64/25/455386425.db2.gz PIJWNLZYZMLOTO-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO COCCN(Cc1cccnc1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000191108027 455444361 /nfs/dbraw/zinc/44/43/61/455444361.db2.gz QJJKCOZNKMZVPF-UHFFFAOYSA-N 1 0 348.830 3.292 20 10 EGCDRO COc1cccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c1O ZINC000191712931 455512031 /nfs/dbraw/zinc/51/20/31/455512031.db2.gz LANNVQVLPGEHJL-QRWLVFNGSA-N 1 0 329.440 3.120 20 10 EGCDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185177338 455516705 /nfs/dbraw/zinc/51/67/05/455516705.db2.gz QTNUGDYOOVIHNJ-ZDUSSCGKSA-N 1 0 328.412 3.001 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185196077 455519925 /nfs/dbraw/zinc/51/99/25/455519925.db2.gz ZQMKFRIVSVHSJG-CQSZACIVSA-N 1 0 330.403 3.231 20 10 EGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185322510 455540290 /nfs/dbraw/zinc/54/02/90/455540290.db2.gz CRHHVFUKRHDAHF-KGLIPLIRSA-N 1 0 348.468 3.021 20 10 EGCDRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000185547638 455576157 /nfs/dbraw/zinc/57/61/57/455576157.db2.gz HJHBAEBSCUEKEX-ZDUSSCGKSA-N 1 0 330.403 3.126 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c(O)c1 ZINC000185547443 455576206 /nfs/dbraw/zinc/57/62/06/455576206.db2.gz JYXJYUYPWBQKSK-OAHLLOKOSA-N 1 0 326.440 3.296 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000271327515 455599309 /nfs/dbraw/zinc/59/93/09/455599309.db2.gz MMUUKOAXRAJJQJ-OAHLLOKOSA-N 1 0 342.443 3.166 20 10 EGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000271350665 455607795 /nfs/dbraw/zinc/60/77/95/455607795.db2.gz HQTUYIIEKJFNLY-HNNXBMFYSA-N 1 0 329.419 3.217 20 10 EGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000271387838 455618508 /nfs/dbraw/zinc/61/85/08/455618508.db2.gz JKSVETFJRWJRMR-QGZVFWFLSA-N 1 0 339.483 3.450 20 10 EGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284162620 455644668 /nfs/dbraw/zinc/64/46/68/455644668.db2.gz PXBJEAAVLQVGFM-KUHUBIRLSA-N 1 0 345.439 3.410 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cn[nH]c1 ZINC000284295365 455664244 /nfs/dbraw/zinc/66/42/44/455664244.db2.gz YGEPEEDFEMTCCD-MGPQQGTHSA-N 1 0 332.423 3.013 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cn[nH]c1 ZINC000284295363 455664529 /nfs/dbraw/zinc/66/45/29/455664529.db2.gz YGEPEEDFEMTCCD-MCIONIFRSA-N 1 0 332.423 3.013 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cccc(NC(C)=O)c2)c1 ZINC000185966555 455664782 /nfs/dbraw/zinc/66/47/82/455664782.db2.gz BZYRXOVEXOLODF-CYBMUJFWSA-N 1 0 344.411 3.089 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c(O)c1 ZINC000186022768 455677764 /nfs/dbraw/zinc/67/77/64/455677764.db2.gz VMBBLBCDEJLPCV-CJNGLKHVSA-N 1 0 328.387 3.296 20 10 EGCDRO C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1cc(F)ccc1O ZINC000186061382 455686479 /nfs/dbraw/zinc/68/64/79/455686479.db2.gz SXIYXGBRUQPQDD-NSHDSACASA-N 1 0 331.366 3.450 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192849431 455705981 /nfs/dbraw/zinc/70/59/81/455705981.db2.gz NZGGZFAJHHEQGC-VXGBXAGGSA-N 1 0 329.400 3.303 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)ccc1OCCO ZINC000293683242 455795221 /nfs/dbraw/zinc/79/52/21/455795221.db2.gz KMAIDKMYACNPOX-OAHLLOKOSA-N 1 0 345.439 3.240 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186590994 455800845 /nfs/dbraw/zinc/80/08/45/455800845.db2.gz HROBDEIXAYPOGZ-UHFFFAOYSA-N 1 0 342.458 3.461 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CCOCC(F)(F)C(F)F)c1O ZINC000278292888 455808308 /nfs/dbraw/zinc/80/83/08/455808308.db2.gz CUTZHVKFUBAACE-UHFFFAOYSA-N 1 0 345.720 3.061 20 10 EGCDRO COc1c(O)c(C[N@H+](C)Cc2cccc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000278321454 455816688 /nfs/dbraw/zinc/81/66/88/455816688.db2.gz YEMKCEQWUSCZTC-UHFFFAOYSA-N 1 0 345.399 3.007 20 10 EGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC1(C)C ZINC000294939622 455833163 /nfs/dbraw/zinc/83/31/63/455833163.db2.gz GVYQIXIIZIHHBA-CQSZACIVSA-N 1 0 328.250 3.402 20 10 EGCDRO COc1c(O)c(CNc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000278571881 455839807 /nfs/dbraw/zinc/83/98/07/455839807.db2.gz CXDONAPLLJMLOD-UHFFFAOYSA-N 1 0 345.399 3.025 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccc(N(C)C)cc1 ZINC000279079856 455857409 /nfs/dbraw/zinc/85/74/09/455857409.db2.gz MLDZSGAQPDVVQB-GOSISDBHSA-N 1 0 326.444 3.347 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(OC)c1OC ZINC000295809473 455860652 /nfs/dbraw/zinc/86/06/52/455860652.db2.gz CPISFHJNUNGMIF-CQSZACIVSA-N 1 0 329.396 3.195 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CCN(C3CC3)CC2)c(C(F)(F)F)c1 ZINC000279827678 455875049 /nfs/dbraw/zinc/87/50/49/455875049.db2.gz GSAKCLHXIVWKGN-UHFFFAOYSA-N 1 0 341.421 3.488 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)c1c(F)cccc1F ZINC000272251346 455892790 /nfs/dbraw/zinc/89/27/90/455892790.db2.gz CBKZQWLQXWICKH-YOEHRIQHSA-N 1 0 325.330 3.411 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)c1c(F)cccc1F ZINC000272251334 455892813 /nfs/dbraw/zinc/89/28/13/455892813.db2.gz CBKZQWLQXWICKH-PBHICJAKSA-N 1 0 325.330 3.411 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(C)cc1O ZINC000280132164 455898847 /nfs/dbraw/zinc/89/88/47/455898847.db2.gz OZZRLAPUAKLKCT-SFHVURJKSA-N 1 0 347.480 3.486 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000272318045 455911781 /nfs/dbraw/zinc/91/17/81/455911781.db2.gz SURQGIQZZANEMH-DOTOQJQBSA-N 1 0 325.456 3.212 20 10 EGCDRO Cc1cc(/C=C/C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000272328739 455915730 /nfs/dbraw/zinc/91/57/30/455915730.db2.gz VDLPYLJSZBLTRE-AUEOTKQJSA-N 1 0 337.467 3.303 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1Oc1ccccc1 ZINC000187638309 455932574 /nfs/dbraw/zinc/93/25/74/455932574.db2.gz SLCKYBXWOYZTLI-POAQFYNOSA-N 1 0 343.423 3.115 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)cc1OC ZINC000272453278 455955436 /nfs/dbraw/zinc/95/54/36/455955436.db2.gz WNCMCMNLIHDTCG-BUXKBTBVSA-N 1 0 349.402 3.414 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(F)c(F)c1[O-] ZINC000187829995 455957894 /nfs/dbraw/zinc/95/78/94/455957894.db2.gz HBLAXZSPKYXAOE-VXGBXAGGSA-N 1 0 327.371 3.397 20 10 EGCDRO O=C1C[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CN1Cc1ccccc1 ZINC000296736108 456023713 /nfs/dbraw/zinc/02/37/13/456023713.db2.gz JCORPTOSEUAPDX-SJLPKXTDSA-N 1 0 336.435 3.018 20 10 EGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000280890559 456073332 /nfs/dbraw/zinc/07/33/32/456073332.db2.gz FBKCLMZPCWHGIV-GOEBONIOSA-N 1 0 330.472 3.180 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H]1CCNC1=O ZINC000297039194 456099852 /nfs/dbraw/zinc/09/98/52/456099852.db2.gz XVHOZFWSQOHUNM-GOSISDBHSA-N 1 0 343.496 3.095 20 10 EGCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000289463421 456125578 /nfs/dbraw/zinc/12/55/78/456125578.db2.gz CRKRDPKAEDYTOE-RBUKOAKNSA-N 1 0 329.488 3.023 20 10 EGCDRO COCCCOc1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000289641815 456133817 /nfs/dbraw/zinc/13/38/17/456133817.db2.gz XNNCIXNNZVESEP-UHFFFAOYSA-N 1 0 331.412 3.106 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236733034 456176523 /nfs/dbraw/zinc/17/65/23/456176523.db2.gz ZJLTXCRDTDHIPL-BEFAXECRSA-N 1 0 326.440 3.467 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)ccc1OC ZINC000271244582 456190254 /nfs/dbraw/zinc/19/02/54/456190254.db2.gz VINCPNWGUCEQOI-IBGZPJMESA-N 1 0 347.430 3.064 20 10 EGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000273166447 456198495 /nfs/dbraw/zinc/19/84/95/456198495.db2.gz DCJFVTRRNZJWJB-DOTOQJQBSA-N 1 0 348.487 3.067 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c(O)c1C ZINC000273407688 456228778 /nfs/dbraw/zinc/22/87/78/456228778.db2.gz OYRQROFLCVTGOE-OAHLLOKOSA-N 1 0 347.480 3.404 20 10 EGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C2 ZINC000273477753 456233785 /nfs/dbraw/zinc/23/37/85/456233785.db2.gz LCRXLNRGDXXNBJ-TZMCWYRMSA-N 1 0 329.396 3.064 20 10 EGCDRO Cc1ccc(O)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1 ZINC000273497398 456235080 /nfs/dbraw/zinc/23/50/80/456235080.db2.gz PMADAZOXZGQLOK-RDJZCZTQSA-N 1 0 340.471 3.409 20 10 EGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273552522 456237250 /nfs/dbraw/zinc/23/72/50/456237250.db2.gz GDVPYBWJCSMLRL-AUUYWEPGSA-N 1 0 345.439 3.410 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000273736240 456243874 /nfs/dbraw/zinc/24/38/74/456243874.db2.gz LDXHOBDOCMUEHS-QFYYESIMSA-N 1 0 339.794 3.405 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)CCc2ccccc2)c1O ZINC000273807460 456245287 /nfs/dbraw/zinc/24/52/87/456245287.db2.gz YGHGICGETOYCSW-MRXNPFEDSA-N 1 0 335.831 3.138 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1F ZINC000274259937 456254036 /nfs/dbraw/zinc/25/40/36/456254036.db2.gz MRKHZJDLQGYIKH-UHFFFAOYSA-N 1 0 348.491 3.306 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000275817529 456321316 /nfs/dbraw/zinc/32/13/16/456321316.db2.gz DGJXZSJXMWCRHI-HNNXBMFYSA-N 1 0 327.476 3.104 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1C ZINC000283034344 456694763 /nfs/dbraw/zinc/69/47/63/456694763.db2.gz QRQGLSQOFPKAEB-GOSISDBHSA-N 1 0 339.439 3.405 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000283536031 456799073 /nfs/dbraw/zinc/79/90/73/456799073.db2.gz GSNSBQJINVRVFH-WBVHZDCISA-N 1 0 345.487 3.329 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@@]1=O ZINC000277447494 456827779 /nfs/dbraw/zinc/82/77/79/456827779.db2.gz JRCMPJISYAKXAX-CMJOXMDJSA-N 1 0 329.465 3.402 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000283744748 456834221 /nfs/dbraw/zinc/83/42/21/456834221.db2.gz JELXRNRIISUQBB-MRXNPFEDSA-N 1 0 345.487 3.188 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000355132560 457344056 /nfs/dbraw/zinc/34/40/56/457344056.db2.gz MNUYANHVOLLCAP-UHFFFAOYSA-N 1 0 331.423 3.357 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000378436698 457395246 /nfs/dbraw/zinc/39/52/46/457395246.db2.gz CWUWPDFZORJPJJ-AZUAARDMSA-N 1 0 327.424 3.489 20 10 EGCDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000378497461 457405034 /nfs/dbraw/zinc/40/50/34/457405034.db2.gz PYZWYCRVSORLGN-IBGZPJMESA-N 1 0 330.472 3.395 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000363851281 457454788 /nfs/dbraw/zinc/45/47/88/457454788.db2.gz QLMVUULPDAJBAH-CYBMUJFWSA-N 1 0 325.836 3.063 20 10 EGCDRO COc1c(O)c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755940 457687305 /nfs/dbraw/zinc/68/73/05/457687305.db2.gz CUAQKAKWORQERM-BLLLJJGKSA-N 1 0 343.383 3.287 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)c1 ZINC000374724020 457694360 /nfs/dbraw/zinc/69/43/60/457694360.db2.gz SCIYOYWRXOGMGI-UHFFFAOYSA-N 1 0 337.423 3.400 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000371327199 457868070 /nfs/dbraw/zinc/86/80/70/457868070.db2.gz MIEPMADJFGRQJN-VXGBXAGGSA-N 1 0 326.234 3.013 20 10 EGCDRO CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccc2ccccc21 ZINC000592504940 459616602 /nfs/dbraw/zinc/61/66/02/459616602.db2.gz DTAJARQXXVIITR-HNNXBMFYSA-N 1 0 334.423 3.149 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](Cc2ccc(F)cc2)OC)c1 ZINC000528435727 459806308 /nfs/dbraw/zinc/80/63/08/459806308.db2.gz DGGCMPPXRDHJCX-CXAGYDPISA-N 1 0 333.403 3.448 20 10 EGCDRO COc1ccc([C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C2CC2)cn1 ZINC000529688833 459835556 /nfs/dbraw/zinc/83/55/56/459835556.db2.gz LKUNYUASGYHFGT-LJQANCHMSA-N 1 0 344.411 3.054 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NCC2CC[NH+](CC)CC2)cc1 ZINC000726104214 574541115 /nfs/dbraw/zinc/54/11/15/574541115.db2.gz RMVRCMNMCZBDRR-UHFFFAOYSA-N 1 0 346.519 3.064 20 10 EGCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000727229655 574655115 /nfs/dbraw/zinc/65/51/15/574655115.db2.gz PIPAPKNNCFCHRY-MRXNPFEDSA-N 1 0 346.519 3.157 20 10 EGCDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000728604928 574761453 /nfs/dbraw/zinc/76/14/53/574761453.db2.gz LDDSBUXUQVTELQ-IBGZPJMESA-N 1 0 343.446 3.201 20 10 EGCDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731115684 575055784 /nfs/dbraw/zinc/05/57/84/575055784.db2.gz GDFHQLWDKFZSBU-QGZVFWFLSA-N 1 0 346.519 3.062 20 10 EGCDRO CN(Cc1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000732410604 575268058 /nfs/dbraw/zinc/26/80/58/575268058.db2.gz FDBWIDQQSZACKZ-UHFFFAOYSA-N 1 0 329.400 3.172 20 10 EGCDRO Cc1ncc(/C=C/C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000732741034 575285824 /nfs/dbraw/zinc/28/58/24/575285824.db2.gz HBUQKHFBVZTYAR-MDZDMXLPSA-N 1 0 345.468 3.068 20 10 EGCDRO CCCC[N@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000732892122 575294954 /nfs/dbraw/zinc/29/49/54/575294954.db2.gz RXDGASYIQKRNNK-UHFFFAOYSA-N 1 0 346.519 3.159 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734014839 575427428 /nfs/dbraw/zinc/42/74/28/575427428.db2.gz FPNPAFLRBKLUNV-UHFFFAOYSA-N 1 0 342.439 3.173 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741257815 576669384 /nfs/dbraw/zinc/66/93/84/576669384.db2.gz ZJPONUNUKLBDSF-UTKZUKDTSA-N 1 0 340.467 3.080 20 10 EGCDRO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000741807116 576724129 /nfs/dbraw/zinc/72/41/29/576724129.db2.gz UYBJTXRUFHSNEQ-SJORKVTESA-N 1 0 331.504 3.222 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1F ZINC000742253426 576762776 /nfs/dbraw/zinc/76/27/76/576762776.db2.gz PSWXPSYIZNNPOY-HUUCEWRRSA-N 1 0 335.467 3.161 20 10 EGCDRO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@H]1CCOC1 ZINC000743271608 576804910 /nfs/dbraw/zinc/80/49/10/576804910.db2.gz GWABXEDJVGOUMA-GOSISDBHSA-N 1 0 332.488 3.160 20 10 EGCDRO CC[N@H+](Cc1cnc(C)nc1)Cc1cc(Br)ccc1O ZINC000744425322 576827674 /nfs/dbraw/zinc/82/76/74/576827674.db2.gz DSWPSWCGGLRGGE-UHFFFAOYSA-N 1 0 336.233 3.275 20 10 EGCDRO COc1ccc(C[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1Cn1cccn1 ZINC000873094940 1297271484 /nfs/dbraw/zinc/27/14/84/1297271484.db2.gz IZQNYSXLMKTLNY-IBGZPJMESA-N 1 0 345.487 3.073 20 10 EGCDRO COc1ccccc1CC[NH2+]Cc1ccc(Br)cc1O ZINC000691427118 1298134262 /nfs/dbraw/zinc/13/42/62/1298134262.db2.gz CDHMZAKODDTTCI-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO COc1ccc2ccc(O)c(CN3CC[NH+](CC4CC4)CC3)c2c1 ZINC000054551260 1291756465 /nfs/dbraw/zinc/75/64/65/1291756465.db2.gz BVKIWDONRFTLNU-UHFFFAOYSA-N 1 0 326.440 3.082 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1O ZINC000827663154 1292353992 /nfs/dbraw/zinc/35/39/92/1292353992.db2.gz ZCYNXGVJZDYRLF-UHFFFAOYSA-N 1 0 340.467 3.206 20 10 EGCDRO Cc1cccc(CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000828062167 1292425146 /nfs/dbraw/zinc/42/51/46/1292425146.db2.gz COUSZEIACVWVRW-LJQANCHMSA-N 1 0 326.440 3.319 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000078949905 1292535701 /nfs/dbraw/zinc/53/57/01/1292535701.db2.gz KWYAPEZMLMBLHX-UHFFFAOYSA-N 1 0 341.455 3.056 20 10 EGCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000831210585 1292827871 /nfs/dbraw/zinc/82/78/71/1292827871.db2.gz AVBFNWMAHYVXPR-LSDHHAIUSA-N 1 0 333.476 3.362 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000092784135 1292890035 /nfs/dbraw/zinc/89/00/35/1292890035.db2.gz NVHARNOPDKCGDG-QGZVFWFLSA-N 1 0 338.451 3.343 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000831705716 1292909117 /nfs/dbraw/zinc/90/91/17/1292909117.db2.gz BPVOITSXBBOEAL-FXAWDEMLSA-N 1 0 337.467 3.227 20 10 EGCDRO CC[C@H](CC1CCCC1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273025 1292980008 /nfs/dbraw/zinc/98/00/08/1292980008.db2.gz LLZQZQLKXYRGOT-APWZRJJASA-N 1 0 331.504 3.475 20 10 EGCDRO Cc1ccc(Cl)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267740 1292980144 /nfs/dbraw/zinc/98/01/44/1292980144.db2.gz ZUUCWHDAPQPEAV-KRWDZBQOSA-N 1 0 331.847 3.144 20 10 EGCDRO CC(C)c1ccsc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280303 1292981377 /nfs/dbraw/zinc/98/13/77/1292981377.db2.gz OSWCYEKBOFEUGM-INIZCTEOSA-N 1 0 331.485 3.367 20 10 EGCDRO CCc1ccc([C@@H](C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832281507 1292981435 /nfs/dbraw/zinc/98/14/35/1292981435.db2.gz TXGPNLNCIAOUDO-FOIQADDNSA-N 1 0 339.483 3.235 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2cccc(Cl)c2)cc1 ZINC000832292263 1292983567 /nfs/dbraw/zinc/98/35/67/1292983567.db2.gz DQGYADUHHBOGGV-GOSISDBHSA-N 1 0 345.874 3.155 20 10 EGCDRO CN(C(=O)C[N@H+](C)Cc1ccccc1O)[C@@H]1CCCc2ccccc21 ZINC000111235340 1293101668 /nfs/dbraw/zinc/10/16/68/1293101668.db2.gz XHNFEVOYGWKJSU-LJQANCHMSA-N 1 0 338.451 3.360 20 10 EGCDRO COC1CCN(C2(C[NH2+][C@@H]3CCc4cccc(O)c43)CCCC2)CC1 ZINC000834576577 1293118857 /nfs/dbraw/zinc/11/88/57/1293118857.db2.gz ZKXFSUFZIMHKRN-GOSISDBHSA-N 1 0 344.499 3.393 20 10 EGCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1c1ccc(Cl)cc1 ZINC000834662659 1293129622 /nfs/dbraw/zinc/12/96/22/1293129622.db2.gz BHGIIMGMYCOZAP-HZPDHXFCSA-N 1 0 342.826 3.428 20 10 EGCDRO OC[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)C[C@H]1c1ccc(F)cc1 ZINC000834783034 1293147339 /nfs/dbraw/zinc/14/73/39/1293147339.db2.gz ARAVJGFQTQVZLG-SQGPQFPESA-N 1 0 327.399 3.274 20 10 EGCDRO O=C(/C=C/c1ccccc1)NCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834793494 1293149804 /nfs/dbraw/zinc/14/98/04/1293149804.db2.gz AGERUBVGXQFSKA-LVMGUKCRSA-N 1 0 336.435 3.189 20 10 EGCDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834870415 1293160041 /nfs/dbraw/zinc/16/00/41/1293160041.db2.gz HNMDJPQLEWVHSJ-GJZGRUSLSA-N 1 0 340.895 3.236 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000834898217 1293169089 /nfs/dbraw/zinc/16/90/89/1293169089.db2.gz KJNINFQCBJFCRM-RIFZZMRRSA-N 1 0 342.487 3.447 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000834898219 1293169174 /nfs/dbraw/zinc/16/91/74/1293169174.db2.gz KJNINFQCBJFCRM-VPWXQRGCSA-N 1 0 342.487 3.447 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000834898597 1293169375 /nfs/dbraw/zinc/16/93/75/1293169375.db2.gz MOIORQGZUAXONF-XKGZKEIXSA-N 1 0 342.487 3.447 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccccc1O ZINC000834903099 1293170473 /nfs/dbraw/zinc/17/04/73/1293170473.db2.gz IVXRARPZGISBPU-NZPGVSJUSA-N 1 0 329.444 3.437 20 10 EGCDRO CC1(C)C[C@H](C[NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000835059344 1293194961 /nfs/dbraw/zinc/19/49/61/1293194961.db2.gz HMRLAWKOEYDFMI-LLVKDONJSA-N 1 0 328.250 3.450 20 10 EGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000117395370 1293220204 /nfs/dbraw/zinc/22/02/04/1293220204.db2.gz VBZJCRTWBCCPFI-JKSUJKDBSA-N 1 0 338.492 3.426 20 10 EGCDRO COC(=O)c1cc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)oc1C ZINC000120829609 1293341386 /nfs/dbraw/zinc/34/13/86/1293341386.db2.gz AQNIDXHUCRNRRD-UHFFFAOYSA-N 1 0 333.384 3.029 20 10 EGCDRO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000121048417 1293353423 /nfs/dbraw/zinc/35/34/23/1293353423.db2.gz GBIZXCSDRLIBSZ-MRXNPFEDSA-N 1 0 335.444 3.105 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121315338 1293365980 /nfs/dbraw/zinc/36/59/80/1293365980.db2.gz XFKBFMHKLSKRER-IBGZPJMESA-N 1 0 338.451 3.405 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121315503 1293366141 /nfs/dbraw/zinc/36/61/41/1293366141.db2.gz XFKBFMHKLSKRER-LJQANCHMSA-N 1 0 338.451 3.405 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000125747642 1293516108 /nfs/dbraw/zinc/51/61/08/1293516108.db2.gz FFBHGKYGZMIKNB-UKRRQHHQSA-N 1 0 329.410 3.430 20 10 EGCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000127104181 1293553528 /nfs/dbraw/zinc/55/35/28/1293553528.db2.gz JPDYVEMXUZJXHV-CVEARBPZSA-N 1 0 338.517 3.151 20 10 EGCDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000127103968 1293553690 /nfs/dbraw/zinc/55/36/90/1293553690.db2.gz JPDYVEMXUZJXHV-HOTGVXAUSA-N 1 0 338.517 3.151 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c1O ZINC000127333517 1293560475 /nfs/dbraw/zinc/56/04/75/1293560475.db2.gz CRIFBGBAKXVMNC-UHFFFAOYSA-N 1 0 340.467 3.499 20 10 EGCDRO C[C@@H]1CCC[C@@](C[NH2+]Cc2ccc(N3CCOCC3)cc2)(N(C)C)C1 ZINC000129424234 1293624322 /nfs/dbraw/zinc/62/43/22/1293624322.db2.gz OMUDNOZNHJZXQX-WIYYLYMNSA-N 1 0 345.531 3.123 20 10 EGCDRO COc1ccc(N2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000130541543 1293660124 /nfs/dbraw/zinc/66/01/24/1293660124.db2.gz DVRYXPFELOHCQJ-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000130921646 1293672915 /nfs/dbraw/zinc/67/29/15/1293672915.db2.gz GXZPGWJFABIQPX-LJQANCHMSA-N 1 0 343.446 3.362 20 10 EGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000151060893 1293905325 /nfs/dbraw/zinc/90/53/25/1293905325.db2.gz HZOPILVHWFUSFW-NRFANRHFSA-N 1 0 338.451 3.309 20 10 EGCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000155326215 1294092108 /nfs/dbraw/zinc/09/21/08/1294092108.db2.gz WCQGDKNZQNRBGS-JKSUJKDBSA-N 1 0 328.460 3.151 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(OC)cc2OC)c1O ZINC000160833130 1294279096 /nfs/dbraw/zinc/27/90/96/1294279096.db2.gz NATVQVVGRGUGJR-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000161186142 1294286830 /nfs/dbraw/zinc/28/68/30/1294286830.db2.gz TXDVDVQDDBFATI-SJORKVTESA-N 1 0 339.483 3.498 20 10 EGCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000165079391 1294355291 /nfs/dbraw/zinc/35/52/91/1294355291.db2.gz UFSQPKIKMHNZIP-INIZCTEOSA-N 1 0 332.488 3.298 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(CC)CCC3)cc2F)CC1 ZINC000177202562 1294659474 /nfs/dbraw/zinc/65/94/74/1294659474.db2.gz QHIVWJVJVKVZRX-UHFFFAOYSA-N 1 0 347.478 3.164 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000177982233 1294707971 /nfs/dbraw/zinc/70/79/71/1294707971.db2.gz KZPMIEFPHRJNLO-MRXNPFEDSA-N 1 0 337.467 3.383 20 10 EGCDRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3O)C2)cc(OC)c1 ZINC000179581938 1294806903 /nfs/dbraw/zinc/80/69/03/1294806903.db2.gz GFQLHQPGJUMQHM-INIZCTEOSA-N 1 0 342.439 3.486 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)cc1 ZINC000181407942 1294965845 /nfs/dbraw/zinc/96/58/45/1294965845.db2.gz PLSITYIUDSCUMY-KRWDZBQOSA-N 1 0 339.483 3.152 20 10 EGCDRO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182113390 1295019768 /nfs/dbraw/zinc/01/97/68/1295019768.db2.gz ITWLYTCNAUTVML-NSHDSACASA-N 1 0 333.359 3.177 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000182314262 1295034405 /nfs/dbraw/zinc/03/44/05/1295034405.db2.gz MLPKNQRAFDKUQB-LLVKDONJSA-N 1 0 332.356 3.168 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(c2ccccc2)C(C)C)c1 ZINC000182337845 1295037245 /nfs/dbraw/zinc/03/72/45/1295037245.db2.gz IFLAEMIAUJKTMV-HNNXBMFYSA-N 1 0 342.439 3.493 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000182393960 1295042881 /nfs/dbraw/zinc/04/28/81/1295042881.db2.gz YNKDHCHYWHDSTO-SNVBAGLBSA-N 1 0 343.339 3.301 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC2CCCCCCC2)c1 ZINC000182441928 1295046844 /nfs/dbraw/zinc/04/68/44/1295046844.db2.gz PKGNCAINAMLLHU-AWEZNQCLSA-N 1 0 334.460 3.281 20 10 EGCDRO C[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000183258758 1295108680 /nfs/dbraw/zinc/10/86/80/1295108680.db2.gz VKZBXFRTVKOISH-OAHLLOKOSA-N 1 0 331.485 3.215 20 10 EGCDRO C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccccc1O ZINC000183547269 1295130431 /nfs/dbraw/zinc/13/04/31/1295130431.db2.gz NCNSLADYDUABSA-QGZVFWFLSA-N 1 0 332.488 3.326 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)CC1 ZINC000184268718 1295184529 /nfs/dbraw/zinc/18/45/29/1295184529.db2.gz LEYBAXITICAXMY-UHFFFAOYSA-N 1 0 345.393 3.359 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000184858372 1295224375 /nfs/dbraw/zinc/22/43/75/1295224375.db2.gz RPLVDSODNVRNGA-QGZVFWFLSA-N 1 0 332.488 3.386 20 10 EGCDRO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)CC(C)C ZINC000184949564 1295230119 /nfs/dbraw/zinc/23/01/19/1295230119.db2.gz NJYDCODRRWMNNJ-ZIAGYGMSSA-N 1 0 338.448 3.212 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1O ZINC000185582109 1295271307 /nfs/dbraw/zinc/27/13/07/1295271307.db2.gz YNLDSCGWWUXALS-OAHLLOKOSA-N 1 0 335.444 3.345 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1 ZINC000186485829 1295331295 /nfs/dbraw/zinc/33/12/95/1295331295.db2.gz GDAUYGOYDMEIQD-ZDUSSCGKSA-N 1 0 325.412 3.181 20 10 EGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000189367859 1295517090 /nfs/dbraw/zinc/51/70/90/1295517090.db2.gz LHPACBWUIWNSRE-HNNXBMFYSA-N 1 0 333.476 3.099 20 10 EGCDRO CCOC(=O)[C@](C)(C[NH2+]Cc1cccc(C)c1O)c1ccccc1 ZINC000191631561 1295697626 /nfs/dbraw/zinc/69/76/26/1295697626.db2.gz COBPQNUDESXXII-HXUWFJFHSA-N 1 0 327.424 3.311 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccc(Cl)cc1 ZINC000237738341 1296260725 /nfs/dbraw/zinc/26/07/25/1296260725.db2.gz XJXIXHMFJFYPHW-OAHLLOKOSA-N 1 0 345.874 3.477 20 10 EGCDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(C)n1-c1ccccc1C ZINC000261924504 1296607514 /nfs/dbraw/zinc/60/75/14/1296607514.db2.gz IYCKFQWCCMFBHN-RHSMWYFYSA-N 1 0 325.456 3.212 20 10 EGCDRO Cc1ccc(CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000302754786 1296805955 /nfs/dbraw/zinc/80/59/55/1296805955.db2.gz PBZKLSOXIXQPEL-UHFFFAOYSA-N 1 0 339.483 3.151 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310563721 1297097042 /nfs/dbraw/zinc/09/70/42/1297097042.db2.gz KUUTXMUGUJJARP-HUUCEWRRSA-N 1 0 332.444 3.369 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cc1 ZINC000873006611 1297219459 /nfs/dbraw/zinc/21/94/59/1297219459.db2.gz MRHDHFAIQPQKFB-UHFFFAOYSA-N 1 0 337.423 3.238 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1Cn1cccn1 ZINC000873127608 1297283656 /nfs/dbraw/zinc/28/36/56/1297283656.db2.gz VETZFTPLSGYOPK-INIZCTEOSA-N 1 0 331.485 3.173 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2ccc3oc(=O)[nH]c3c2)ccc1OC ZINC000873173094 1297323515 /nfs/dbraw/zinc/32/35/15/1297323515.db2.gz MLEJZSMTLQMQHY-UHFFFAOYSA-N 1 0 342.395 3.368 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000392871614 1297662586 /nfs/dbraw/zinc/66/25/86/1297662586.db2.gz BYVMXGOHEIARPX-KBMXLJTQSA-N 1 0 341.455 3.105 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000394668900 1297678840 /nfs/dbraw/zinc/67/88/40/1297678840.db2.gz WAHVKFKNVWMJIZ-MRXNPFEDSA-N 1 0 336.863 3.308 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000398144241 1297714995 /nfs/dbraw/zinc/71/49/95/1297714995.db2.gz NJHLYWUHULYRPF-BEFAXECRSA-N 1 0 338.455 3.301 20 10 EGCDRO OCC1(C[NH2+]Cc2c(O)cccc2Br)CCCCC1 ZINC000706800468 1298222923 /nfs/dbraw/zinc/22/29/23/1298222923.db2.gz RXTIZHFNNHSSGF-UHFFFAOYSA-N 1 0 328.250 3.187 20 10 EGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000708494291 1298238985 /nfs/dbraw/zinc/23/89/85/1298238985.db2.gz FAIWEIOHQGTXMX-HNNXBMFYSA-N 1 0 332.394 3.282 20 10 EGCDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715830094 1298289375 /nfs/dbraw/zinc/28/93/75/1298289375.db2.gz WTDDRPGRXFZAOV-LLVKDONJSA-N 1 0 345.256 3.114 20 10 EGCDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000875404067 1298327125 /nfs/dbraw/zinc/32/71/25/1298327125.db2.gz SHNVJOZMNMDOTF-CVEARBPZSA-N 1 0 333.476 3.120 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)cc1C ZINC000725775727 1298357462 /nfs/dbraw/zinc/35/74/62/1298357462.db2.gz QJSNXYUGHTYTIV-UHFFFAOYSA-N 1 0 334.460 3.309 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000725845181 1298373699 /nfs/dbraw/zinc/37/36/99/1298373699.db2.gz RCUCBXUZSLVSNN-UHFFFAOYSA-N 1 0 327.428 3.076 20 10 EGCDRO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3cnn(C)c3)c2C)cc1 ZINC000747434042 1298780737 /nfs/dbraw/zinc/78/07/37/1298780737.db2.gz BAOJDFZKZVEWIQ-UHFFFAOYSA-N 1 0 338.455 3.468 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C(C)(C)c2ccccc2)cc1 ZINC000747528992 1298795643 /nfs/dbraw/zinc/79/56/43/1298795643.db2.gz DRDWWCYCYRWZPU-UHFFFAOYSA-N 1 0 339.483 3.236 20 10 EGCDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000876551413 1298821293 /nfs/dbraw/zinc/82/12/93/1298821293.db2.gz QUYXQIOXIAVGBU-UHFFFAOYSA-N 1 0 326.440 3.169 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000876640104 1298890128 /nfs/dbraw/zinc/89/01/28/1298890128.db2.gz YXCCPFHKGVRDET-UHFFFAOYSA-N 1 0 330.472 3.362 20 10 EGCDRO CN(c1ccc(CNC(=O)CCC2C[NH2+]C2)cc1)C1CCCCC1 ZINC000876740286 1298952683 /nfs/dbraw/zinc/95/26/83/1298952683.db2.gz KRYKMLUWMHEZRA-UHFFFAOYSA-N 1 0 329.488 3.071 20 10 EGCDRO Cc1ccc(CNc2cccc(CN3CC[NH+](C)CC3)c2)c(O)c1 ZINC000876823420 1299016028 /nfs/dbraw/zinc/01/60/28/1299016028.db2.gz JNPHEJFSZUCOGB-UHFFFAOYSA-N 1 0 325.456 3.060 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000876895128 1299054640 /nfs/dbraw/zinc/05/46/40/1299054640.db2.gz YVZLXBMGVQANTN-LJQANCHMSA-N 1 0 344.430 3.003 20 10 EGCDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000876900239 1299058067 /nfs/dbraw/zinc/05/80/67/1299058067.db2.gz WLTJBQYQFOBPDQ-HXUWFJFHSA-N 1 0 340.467 3.172 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCCC[C@H]1C ZINC000876931819 1299072226 /nfs/dbraw/zinc/07/22/26/1299072226.db2.gz WGQUBCNWLDAXMJ-MSOLQXFVSA-N 1 0 345.531 3.000 20 10 EGCDRO CO[C@@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000876998592 1299109141 /nfs/dbraw/zinc/10/91/41/1299109141.db2.gz JYOAUZURESZXSP-KRWDZBQOSA-N 1 0 340.414 3.271 20 10 EGCDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)ccc21 ZINC000749224175 1299169109 /nfs/dbraw/zinc/16/91/09/1299169109.db2.gz WXEMIJQWIDXOPZ-FQEVSTJZSA-N 1 0 341.499 3.092 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccn1 ZINC000877559133 1299398956 /nfs/dbraw/zinc/39/89/56/1299398956.db2.gz RVOVEJZHHNCOIY-UHFFFAOYSA-N 1 0 339.483 3.110 20 10 EGCDRO CO[C@](C)(C[NH2+]Cc1c(C)cccc1O)COCc1ccccc1 ZINC000877624180 1299439288 /nfs/dbraw/zinc/43/92/88/1299439288.db2.gz MDTHYPMOJRLRSW-HXUWFJFHSA-N 1 0 329.440 3.412 20 10 EGCDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)c1ccccc1O ZINC000877755539 1299530847 /nfs/dbraw/zinc/53/08/47/1299530847.db2.gz DLYNHSIOXZNZDS-ZIAGYGMSSA-N 1 0 338.407 3.118 20 10 EGCDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(C)c(O)c2O)c1 ZINC000751534634 1299563810 /nfs/dbraw/zinc/56/38/10/1299563810.db2.gz JTQZANNAZSXZDK-UHFFFAOYSA-N 1 0 342.439 3.178 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000754723827 1300200614 /nfs/dbraw/zinc/20/06/14/1300200614.db2.gz WBWQZGGOJDNMGD-MRXNPFEDSA-N 1 0 334.460 3.498 20 10 EGCDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000755057137 1300274561 /nfs/dbraw/zinc/27/45/61/1300274561.db2.gz XYJSJQCJOMLWRG-MJGOQNOKSA-N 1 0 331.504 3.317 20 10 EGCDRO Cc1cscc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000879000215 1300311693 /nfs/dbraw/zinc/31/16/93/1300311693.db2.gz OSQCYTFNUUMSKA-UHFFFAOYSA-N 1 0 344.484 3.130 20 10 EGCDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756365719 1300477152 /nfs/dbraw/zinc/47/71/52/1300477152.db2.gz CKTFFZUYTLJVDM-BBWFWOEESA-N 1 0 346.515 3.421 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)c2c1c(F)ccc2O ZINC000756575897 1300525890 /nfs/dbraw/zinc/52/58/90/1300525890.db2.gz RDJCGJFWIYZUQV-GXTWGEPZSA-N 1 0 334.435 3.318 20 10 EGCDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Br)ccc1O ZINC000756633326 1300537627 /nfs/dbraw/zinc/53/76/27/1300537627.db2.gz HJQIKTWQNCYLLY-CKQAKLJMSA-N 1 0 328.250 3.499 20 10 EGCDRO COC1CCN(CC[NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000756641426 1300538932 /nfs/dbraw/zinc/53/89/32/1300538932.db2.gz HCWSWCKXZKWICU-HNNXBMFYSA-N 1 0 328.456 3.307 20 10 EGCDRO COC1CCN(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000756641428 1300539140 /nfs/dbraw/zinc/53/91/40/1300539140.db2.gz HCWSWCKXZKWICU-OAHLLOKOSA-N 1 0 328.456 3.307 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000756762574 1300562196 /nfs/dbraw/zinc/56/21/96/1300562196.db2.gz UTDXSGDBTMTCLD-CVEARBPZSA-N 1 0 348.487 3.197 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000756850790 1300576517 /nfs/dbraw/zinc/57/65/17/1300576517.db2.gz OGTFZGXSWINQFT-LBPRGKRZSA-N 1 0 327.380 3.469 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)c1ccccc1O ZINC000879650059 1300650231 /nfs/dbraw/zinc/65/02/31/1300650231.db2.gz ZHINOEHSSVJRQP-OLZOCXBDSA-N 1 0 332.831 3.401 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cc(Cl)ccc1O ZINC000757660229 1300705425 /nfs/dbraw/zinc/70/54/25/1300705425.db2.gz CFNXCGAZJPMXRT-NSHDSACASA-N 1 0 330.815 3.182 20 10 EGCDRO OC[C@]1(C[NH2+]Cc2c(O)cccc2Cl)C[C@H]1c1ccc(F)cc1 ZINC000758529582 1300904407 /nfs/dbraw/zinc/90/44/07/1300904407.db2.gz QGERVCUCOPTPAD-MAUKXSAKSA-N 1 0 335.806 3.441 20 10 EGCDRO Cc1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000880639862 1301200060 /nfs/dbraw/zinc/20/00/60/1301200060.db2.gz SLBUJHFUEQERED-UHFFFAOYSA-N 1 0 344.484 3.130 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CCCC(=O)OC(C)(C)C)c1O ZINC000761205421 1301420661 /nfs/dbraw/zinc/42/06/61/1301420661.db2.gz DBWMCLKWXXGJAQ-UHFFFAOYSA-N 1 0 329.824 3.266 20 10 EGCDRO COC(=O)[C@H](C)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000761217551 1301423480 /nfs/dbraw/zinc/42/34/80/1301423480.db2.gz VFHPPIAUAMSFPF-MRXNPFEDSA-N 1 0 330.472 3.450 20 10 EGCDRO C/C=C/C=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761983037 1301583607 /nfs/dbraw/zinc/58/36/07/1301583607.db2.gz QEZHAFYTBWBFKV-ZOHDKCCFSA-N 1 0 334.847 3.259 20 10 EGCDRO CC(C)c1occc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853863 1301743087 /nfs/dbraw/zinc/74/30/87/1301743087.db2.gz MRGUTHPFDWVLEZ-UHFFFAOYSA-N 1 0 341.455 3.085 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000763392765 1301893177 /nfs/dbraw/zinc/89/31/77/1301893177.db2.gz RWJHFYPMABOBSW-SFHVURJKSA-N 1 0 346.471 3.239 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3nccc4c(N)cccc43)cc2)CC1 ZINC000882879688 1302144392 /nfs/dbraw/zinc/14/43/92/1302144392.db2.gz HVQGSHIZHHCPLG-UHFFFAOYSA-N 1 0 347.466 3.181 20 10 EGCDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764889233 1302158955 /nfs/dbraw/zinc/15/89/55/1302158955.db2.gz KNAZBIOYJHXAMN-CABCVRRESA-N 1 0 348.878 3.112 20 10 EGCDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765255486 1302230946 /nfs/dbraw/zinc/23/09/46/1302230946.db2.gz QVUKODWBBBWWJN-NUJGCVRESA-N 1 0 343.515 3.303 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)cc1 ZINC000765286770 1302237997 /nfs/dbraw/zinc/23/79/97/1302237997.db2.gz GCGRGRHEZMQPKL-DNVCBOLYSA-N 1 0 346.446 3.372 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)CC(N)=O)cc1 ZINC000765791280 1302329206 /nfs/dbraw/zinc/32/92/06/1302329206.db2.gz PACBROCWYWIIRB-MRXNPFEDSA-N 1 0 325.456 3.067 20 10 EGCDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000765899428 1302346002 /nfs/dbraw/zinc/34/60/02/1302346002.db2.gz NBPSRYSYWKFFOV-ROUUACIJSA-N 1 0 332.488 3.381 20 10 EGCDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765949777 1302356774 /nfs/dbraw/zinc/35/67/74/1302356774.db2.gz CVNPAXSREMJNOO-KBXCAEBGSA-N 1 0 340.895 3.234 20 10 EGCDRO C[C@H]([NH2+]CCN1CCSCC1)c1ccc(N2CCCCC2)cc1 ZINC000765953750 1302356786 /nfs/dbraw/zinc/35/67/86/1302356786.db2.gz TYSJDIAHSKTLNL-KRWDZBQOSA-N 1 0 333.545 3.376 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000883284161 1302361591 /nfs/dbraw/zinc/36/15/91/1302361591.db2.gz GSCOORIYOWKJAD-OAHLLOKOSA-N 1 0 338.455 3.133 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccc(C)cc1O ZINC000883287587 1302366078 /nfs/dbraw/zinc/36/60/78/1302366078.db2.gz ZBCGBOGLKSWCHW-GOSISDBHSA-N 1 0 339.439 3.471 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H]2CCOc3ccc(OC)cc32)c(O)c1 ZINC000767190149 1302601663 /nfs/dbraw/zinc/60/16/63/1302601663.db2.gz SGUUGHYRNXUOIE-KRWDZBQOSA-N 1 0 329.396 3.413 20 10 EGCDRO COCC[N@H+](CCc1ccccc1)Cc1cc(OC)c(C)cc1O ZINC000768439751 1302900920 /nfs/dbraw/zinc/90/09/20/1302900920.db2.gz JEWYFPBBGBCSJC-UHFFFAOYSA-N 1 0 329.440 3.400 20 10 EGCDRO C[N@H+](Cc1ccc(Cl)s1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441928 1302902638 /nfs/dbraw/zinc/90/26/38/1302902638.db2.gz MCOQJNDYHIXXPI-CYBMUJFWSA-N 1 0 325.817 3.165 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440655 1302905094 /nfs/dbraw/zinc/90/50/94/1302905094.db2.gz UBYWEKTUHFIRDL-SFHVURJKSA-N 1 0 331.387 3.369 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccc(F)cc3)CC1)[C@@H](O)CO2 ZINC000768463468 1302911025 /nfs/dbraw/zinc/91/10/25/1302911025.db2.gz JOJGTINXPDOHCB-IBGZPJMESA-N 1 0 343.398 3.337 20 10 EGCDRO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768930214 1303015728 /nfs/dbraw/zinc/01/57/28/1303015728.db2.gz NCDCZMGPDLGILY-QGZVFWFLSA-N 1 0 338.451 3.479 20 10 EGCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769008401 1303030607 /nfs/dbraw/zinc/03/06/07/1303030607.db2.gz XKRRITPFRMCLCE-WMZOPIPTSA-N 1 0 331.504 3.269 20 10 EGCDRO Oc1ccc2c(c1)CC[N@@H+](Cc1cc(Br)ccc1O)CC2 ZINC000769191680 1303067357 /nfs/dbraw/zinc/06/73/57/1303067357.db2.gz HHCHYTMIXPUMTH-UHFFFAOYSA-N 1 0 348.240 3.461 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000769382925 1303102646 /nfs/dbraw/zinc/10/26/46/1303102646.db2.gz YUTGSZKAWOLPSQ-JKSUJKDBSA-N 1 0 330.394 3.420 20 10 EGCDRO COc1cccc(O)c1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402106 1303106710 /nfs/dbraw/zinc/10/67/10/1303106710.db2.gz AWOLFUKWFPOBAR-SFHVURJKSA-N 1 0 340.467 3.355 20 10 EGCDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000769547249 1303138953 /nfs/dbraw/zinc/13/89/53/1303138953.db2.gz AIBSGNKPKHPXFG-ICSRJNTNSA-N 1 0 332.488 3.159 20 10 EGCDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325069 1303434268 /nfs/dbraw/zinc/43/42/68/1303434268.db2.gz RYTSMAVOYAQOSR-VQIMIIECSA-N 1 0 343.515 3.304 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)CC1 ZINC000886747165 1303583100 /nfs/dbraw/zinc/58/31/00/1303583100.db2.gz MTQAGSOMXAVEFZ-NRFANRHFSA-N 1 0 349.478 3.165 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000886751361 1303585231 /nfs/dbraw/zinc/58/52/31/1303585231.db2.gz ONFKQPHIMVNELD-RBUKOAKNSA-N 1 0 343.515 3.303 20 10 EGCDRO C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000772987814 1303602468 /nfs/dbraw/zinc/60/24/68/1303602468.db2.gz XZDGXUFUJBSFTM-INIZCTEOSA-N 1 0 331.504 3.490 20 10 EGCDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000773008692 1303606302 /nfs/dbraw/zinc/60/63/02/1303606302.db2.gz XLYKEMKXLYGQLU-WBVHZDCISA-N 1 0 347.478 3.476 20 10 EGCDRO C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773300048 1303658592 /nfs/dbraw/zinc/65/85/92/1303658592.db2.gz XTZSYFYYFZGQOB-CRAIPNDOSA-N 1 0 348.535 3.479 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCC(C)CC1 ZINC000774486772 1303816290 /nfs/dbraw/zinc/81/62/90/1303816290.db2.gz XQUQDBAAOQACJB-LPMVOBIJSA-N 1 0 331.504 3.487 20 10 EGCDRO COc1c(O)c(C[N@H+](C)CCOc2ccccc2C)ccc1[N+](=O)[O-] ZINC000774820866 1303863875 /nfs/dbraw/zinc/86/38/75/1303863875.db2.gz IKRGTMTWFXMYFU-UHFFFAOYSA-N 1 0 346.383 3.128 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC)c1 ZINC000775376023 1303948650 /nfs/dbraw/zinc/94/86/50/1303948650.db2.gz RCWGWXYXPKWNEV-OLZOCXBDSA-N 1 0 344.411 3.087 20 10 EGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccccc1O ZINC000775489116 1303971990 /nfs/dbraw/zinc/97/19/90/1303971990.db2.gz NAJDOEFLFCIQKG-QGZVFWFLSA-N 1 0 333.453 3.048 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(Cl)ccc1O ZINC000775533166 1303979269 /nfs/dbraw/zinc/97/92/69/1303979269.db2.gz MTPKCGSLTSCFBY-QGZVFWFLSA-N 1 0 346.858 3.445 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Br)ccc1O ZINC000775525188 1303979697 /nfs/dbraw/zinc/97/96/97/1303979697.db2.gz DSLPVIAULIGFKC-KBPBESRZSA-N 1 0 328.250 3.356 20 10 EGCDRO CCn1cc(C[N@H+](C)Cc2cc(Br)cc(C)c2O)cn1 ZINC000775700916 1304018255 /nfs/dbraw/zinc/01/82/55/1304018255.db2.gz RXAVHDAVEQITSY-UHFFFAOYSA-N 1 0 338.249 3.312 20 10 EGCDRO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775725750 1304022103 /nfs/dbraw/zinc/02/21/03/1304022103.db2.gz MSWFRRIPIWILFF-HNNXBMFYSA-N 1 0 344.858 3.117 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775830663 1304045333 /nfs/dbraw/zinc/04/53/33/1304045333.db2.gz MHTZYYVMQBIPML-TWMKSMIVSA-N 1 0 331.504 3.296 20 10 EGCDRO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775833789 1304046740 /nfs/dbraw/zinc/04/67/40/1304046740.db2.gz MCBTZXOBKQIUJO-YLJYHZDGSA-N 1 0 342.483 3.460 20 10 EGCDRO Cc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833005 1304047109 /nfs/dbraw/zinc/04/71/09/1304047109.db2.gz FDYUDIXGPLDMCM-INIZCTEOSA-N 1 0 325.456 3.028 20 10 EGCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnc1Cl ZINC000777519943 1304307402 /nfs/dbraw/zinc/30/74/02/1304307402.db2.gz UCMMFQJSZGSJDK-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO CCOc1ccccc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778989510 1304514921 /nfs/dbraw/zinc/51/49/21/1304514921.db2.gz XLNLJMURVWPTNG-UHFFFAOYSA-N 1 0 330.403 3.252 20 10 EGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ccccc2C1 ZINC000779001666 1304515832 /nfs/dbraw/zinc/51/58/32/1304515832.db2.gz DMVLKTHXDMFWSC-OAQYLSRUSA-N 1 0 337.467 3.336 20 10 EGCDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778995510 1304516391 /nfs/dbraw/zinc/51/63/91/1304516391.db2.gz AXDXQUJNOYTADV-UHFFFAOYSA-N 1 0 338.423 3.268 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccco2)c1O ZINC000779004318 1304517057 /nfs/dbraw/zinc/51/70/57/1304517057.db2.gz UQZLUOZQYBYOHY-GWCFXTLKSA-N 1 0 340.217 3.440 20 10 EGCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000779015665 1304518513 /nfs/dbraw/zinc/51/85/13/1304518513.db2.gz ANIHDIXOBWHXCF-QGZVFWFLSA-N 1 0 328.387 3.159 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCc2ccn(C)n2)c1O ZINC000779048670 1304522702 /nfs/dbraw/zinc/52/27/02/1304522702.db2.gz AYJMAPBQBDCHIT-NSHDSACASA-N 1 0 338.249 3.090 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Br)ccc1O ZINC000779061230 1304523754 /nfs/dbraw/zinc/52/37/54/1304523754.db2.gz KEPKVWBKHVZPPI-ZYHUDNBSSA-N 1 0 336.233 3.017 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000779063233 1304525182 /nfs/dbraw/zinc/52/51/82/1304525182.db2.gz CWJKRJDDIAFHGN-ZWKOPEQDSA-N 1 0 328.250 3.273 20 10 EGCDRO CCCNC(=O)C1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC000779167900 1304538222 /nfs/dbraw/zinc/53/82/22/1304538222.db2.gz AOZUKFJDJQCTGI-UHFFFAOYSA-N 1 0 335.467 3.210 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000781897054 1304887375 /nfs/dbraw/zinc/88/73/75/1304887375.db2.gz BYSDKRWFDJIGLA-AWEZNQCLSA-N 1 0 339.277 3.133 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CO)c2ccccc2C)c1O ZINC000782081620 1304913107 /nfs/dbraw/zinc/91/31/07/1304913107.db2.gz LAKGGDWHUHTVMX-QGZVFWFLSA-N 1 0 333.815 3.380 20 10 EGCDRO Cc1cc(C)nc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000782940954 1305025738 /nfs/dbraw/zinc/02/57/38/1305025738.db2.gz OZSCGWLBCZENCD-UHFFFAOYSA-N 1 0 348.450 3.274 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(OC)c1O ZINC000891436868 1305050132 /nfs/dbraw/zinc/05/01/32/1305050132.db2.gz QUVRVRFBVZXRGQ-UHFFFAOYSA-N 1 0 344.455 3.498 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000783638572 1305121370 /nfs/dbraw/zinc/12/13/70/1305121370.db2.gz RLTDZDRBMIGBGT-HUUCEWRRSA-N 1 0 340.414 3.273 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CC2(N(C)C)CCC2)c1O ZINC000783728847 1305134679 /nfs/dbraw/zinc/13/46/79/1305134679.db2.gz KCHLDVNAAGFIPL-UHFFFAOYSA-N 1 0 327.266 3.037 20 10 EGCDRO Fc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc1N1CCOCC1 ZINC000784664654 1305269336 /nfs/dbraw/zinc/26/93/36/1305269336.db2.gz OJQISSKIIPFYOC-FQEVSTJZSA-N 1 0 348.462 3.053 20 10 EGCDRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)c(O)c1OC ZINC000892194093 1305277560 /nfs/dbraw/zinc/27/75/60/1305277560.db2.gz RZSBMGWAIJZSFD-INIZCTEOSA-N 1 0 330.428 3.475 20 10 EGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OCC1CC1 ZINC000785096428 1305312217 /nfs/dbraw/zinc/31/22/17/1305312217.db2.gz QKNYUIQWNXTGGW-HNNXBMFYSA-N 1 0 338.835 3.146 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000785754738 1305425504 /nfs/dbraw/zinc/42/55/04/1305425504.db2.gz NYEPWPVLXDVDJZ-UHFFFAOYSA-N 1 0 336.439 3.453 20 10 EGCDRO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c(O)c1OC ZINC000892687046 1305509769 /nfs/dbraw/zinc/50/97/69/1305509769.db2.gz HZSYUVHCEUKPDY-SJLPKXTDSA-N 1 0 343.423 3.419 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)Cc2ccccc2)c(O)c1OC ZINC000892950118 1305621943 /nfs/dbraw/zinc/62/19/43/1305621943.db2.gz APWOHVDXQBSBIY-HNNXBMFYSA-N 1 0 344.455 3.020 20 10 EGCDRO CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000786818441 1305634766 /nfs/dbraw/zinc/63/47/66/1305634766.db2.gz YFYAGYBZVSUNLN-MRXNPFEDSA-N 1 0 334.508 3.187 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)c(O)c1OC ZINC000893119218 1305717610 /nfs/dbraw/zinc/71/76/10/1305717610.db2.gz PEJZFWUSOCLOGE-ZDUSSCGKSA-N 1 0 335.787 3.286 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)c(O)c1OC ZINC000893128404 1305722565 /nfs/dbraw/zinc/72/25/65/1305722565.db2.gz MYARJNHTZKFZBQ-WMLDXEAASA-N 1 0 345.439 3.054 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)c(O)c1OC ZINC000893266630 1305793605 /nfs/dbraw/zinc/79/36/05/1305793605.db2.gz IBGLKRSJLAOZSN-WCQYABFASA-N 1 0 337.441 3.073 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccccc2)c(O)c1OC ZINC000893267665 1305794524 /nfs/dbraw/zinc/79/45/24/1305794524.db2.gz VQNAXXLLGJQJOC-CZUORRHYSA-N 1 0 331.412 3.011 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3cc(C)on3)cc2F)CC1 ZINC000788595483 1305976601 /nfs/dbraw/zinc/97/66/01/1305976601.db2.gz UMAQAIUXMQJILF-OAHLLOKOSA-N 1 0 346.450 3.115 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(O)c1OC ZINC000893650998 1306006070 /nfs/dbraw/zinc/00/60/70/1306006070.db2.gz LZKGXMGNJLHMJR-HXUWFJFHSA-N 1 0 341.407 3.041 20 10 EGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000789455447 1306163814 /nfs/dbraw/zinc/16/38/14/1306163814.db2.gz LHZKDXYNJBZGBA-SFHVURJKSA-N 1 0 345.414 3.423 20 10 EGCDRO COc1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c(O)c1OC ZINC000894039492 1306187110 /nfs/dbraw/zinc/18/71/10/1306187110.db2.gz UQUVSCBWQITPEZ-UHFFFAOYSA-N 1 0 337.460 3.483 20 10 EGCDRO COc1ccc(CC[NH2+]Cc2cc(C)cc(OC)c2O)cc1OC ZINC000894146994 1306245753 /nfs/dbraw/zinc/24/57/53/1306245753.db2.gz BIZPNAULRXKWGF-UHFFFAOYSA-N 1 0 331.412 3.059 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c1O ZINC000894174535 1306261080 /nfs/dbraw/zinc/26/10/80/1306261080.db2.gz UVNWBHVTFKGMPQ-UHFFFAOYSA-N 1 0 337.423 3.244 20 10 EGCDRO Cc1ncoc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000894193635 1306270363 /nfs/dbraw/zinc/27/03/63/1306270363.db2.gz SJKMABNEXVSJEY-STQMWFEESA-N 1 0 333.407 3.026 20 10 EGCDRO COC(=O)c1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cs1 ZINC000894209189 1306278146 /nfs/dbraw/zinc/27/81/46/1306278146.db2.gz PTUPPQSAJQRPDA-UHFFFAOYSA-N 1 0 330.453 3.207 20 10 EGCDRO COc1ccc(C[N@@H+]2CCOc3ccc(C)cc3C2)c(O)c1OC ZINC000894415211 1308865702 /nfs/dbraw/zinc/86/57/02/1308865702.db2.gz XLDIYJSVLRFKQB-UHFFFAOYSA-N 1 0 329.396 3.112 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c(O)c1OC ZINC000894688897 1309022429 /nfs/dbraw/zinc/02/24/29/1309022429.db2.gz DABIEWTVMWCWSK-UHFFFAOYSA-N 1 0 342.317 3.113 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000792200212 1309142743 /nfs/dbraw/zinc/14/27/43/1309142743.db2.gz XUWLAGQBRSAMOH-GOSISDBHSA-N 1 0 330.472 3.450 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)c(C(F)(F)F)c1 ZINC000793255781 1309334164 /nfs/dbraw/zinc/33/41/64/1309334164.db2.gz AXSMWJXVSLSNTM-ZDUSSCGKSA-N 1 0 328.378 3.240 20 10 EGCDRO CC[C@]1(O)CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895444848 1309339737 /nfs/dbraw/zinc/33/97/37/1309339737.db2.gz UTZBFSUWMFFJID-AWEZNQCLSA-N 1 0 332.213 3.031 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)c(O)c1OC ZINC000895484825 1309365349 /nfs/dbraw/zinc/36/53/49/1309365349.db2.gz ZGSHNMOYFOYWKY-UHFFFAOYSA-N 1 0 342.317 3.113 20 10 EGCDRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000794378930 1309514094 /nfs/dbraw/zinc/51/40/94/1309514094.db2.gz HAXFMMZGDPKIRL-IBGZPJMESA-N 1 0 342.439 3.100 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCc3ccccc32)c1 ZINC000794562200 1309547299 /nfs/dbraw/zinc/54/72/99/1309547299.db2.gz MTEOMQMAYLXPKK-CQSZACIVSA-N 1 0 340.423 3.031 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896386027 1309833275 /nfs/dbraw/zinc/83/32/75/1309833275.db2.gz WWRDTHRZMRFAHG-QGZVFWFLSA-N 1 0 325.408 3.254 20 10 EGCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796526475 1310020598 /nfs/dbraw/zinc/02/05/98/1310020598.db2.gz NOPJXXVZMYYVMD-UHFFFAOYSA-N 1 0 329.444 3.153 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)c1 ZINC000796816967 1310093815 /nfs/dbraw/zinc/09/38/15/1310093815.db2.gz NXIHYKFBGNDVLA-CYBMUJFWSA-N 1 0 345.439 3.447 20 10 EGCDRO CC[C@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1ccc(N(C)C)cc1 ZINC000797093763 1310138850 /nfs/dbraw/zinc/13/88/50/1310138850.db2.gz KYDYIGHQEFUDFM-SFHVURJKSA-N 1 0 333.476 3.272 20 10 EGCDRO CN(C)c1ccc([C@H](CNc2cc(C3CC3)ncn2)[NH+](C)C)cc1 ZINC000897522775 1310362227 /nfs/dbraw/zinc/36/22/27/1310362227.db2.gz OPOTYZWQZPNRAF-SFHVURJKSA-N 1 0 325.460 3.135 20 10 EGCDRO CN(C)c1ccc([C@@H](CNc2nnc(C3CC3)s2)[NH+](C)C)cc1 ZINC000897525820 1310363644 /nfs/dbraw/zinc/36/36/44/1310363644.db2.gz VKGIYLRPJLJHLE-OAHLLOKOSA-N 1 0 331.489 3.196 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898204556 1310626502 /nfs/dbraw/zinc/62/65/02/1310626502.db2.gz WMTYATNGJUJAIL-LJQANCHMSA-N 1 0 327.424 3.222 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CCc2cccnc2C)c1O ZINC000898256648 1310650136 /nfs/dbraw/zinc/65/01/36/1310650136.db2.gz ZLKHGOKIKBSONT-UHFFFAOYSA-N 1 0 335.245 3.499 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@H](c3ccncc3)C3CC3)cc2)CC1 ZINC000898320613 1310676216 /nfs/dbraw/zinc/67/62/16/1310676216.db2.gz MTEURPOWDAASOE-NRFANRHFSA-N 1 0 337.467 3.284 20 10 EGCDRO Cc1nc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)sc1C ZINC000898446755 1310738457 /nfs/dbraw/zinc/73/84/57/1310738457.db2.gz ABRMOUQCNRFZFR-KRWDZBQOSA-N 1 0 332.517 3.218 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1O ZINC000898449309 1310740311 /nfs/dbraw/zinc/74/03/11/1310740311.db2.gz AUGWPOSBPUBDLP-IBGZPJMESA-N 1 0 327.472 3.159 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1O ZINC000800994673 1310849537 /nfs/dbraw/zinc/84/95/37/1310849537.db2.gz YPDOMLOOVDIXLL-AEFFLSMTSA-N 1 0 338.451 3.277 20 10 EGCDRO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(N(C)C)cc1 ZINC000801558034 1310966356 /nfs/dbraw/zinc/96/63/56/1310966356.db2.gz LGBZQLGYTJAPHX-UHFFFAOYSA-N 1 0 345.512 3.261 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1O ZINC000801600560 1310972346 /nfs/dbraw/zinc/97/23/46/1310972346.db2.gz QSOPYDXGCNLQAM-UHFFFAOYSA-N 1 0 346.358 3.317 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cccc(C[NH3+])c2)cc1 ZINC000826019670 1320379177 /nfs/dbraw/zinc/37/91/77/1320379177.db2.gz JCHROQGJMLGEOG-UHFFFAOYSA-N 1 0 325.456 3.264 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000837306408 1320595449 /nfs/dbraw/zinc/59/54/49/1320595449.db2.gz JITQNXZFADOEAP-ZWKOTPCHSA-N 1 0 337.467 3.084 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)c1ccccc1 ZINC000839564645 1320938910 /nfs/dbraw/zinc/93/89/10/1320938910.db2.gz WKYIGQRLTTVZOM-JKSUJKDBSA-N 1 0 325.456 3.455 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@H](OC)c3ccccc3)CC2)cc1F ZINC000801926233 1316966977 /nfs/dbraw/zinc/96/69/77/1316966977.db2.gz PIRMAAFMNGXRPZ-FQEVSTJZSA-N 1 0 344.430 3.344 20 10 EGCDRO COc1cc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)ccc1F ZINC000802659468 1317022883 /nfs/dbraw/zinc/02/28/83/1317022883.db2.gz HCZAPVVZRAKIQW-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000802653955 1317024143 /nfs/dbraw/zinc/02/41/43/1317024143.db2.gz DKQBDIYFRXIABJ-GOSISDBHSA-N 1 0 338.423 3.268 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=S)Nc2ccccc2)[NH+](C)C)cc1 ZINC000899725051 1317138464 /nfs/dbraw/zinc/13/84/64/1317138464.db2.gz ROUZDAKMRXWLOB-GOSISDBHSA-N 1 0 342.512 3.342 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNc3ccc(F)cn3)cc2F)CC1 ZINC000804440916 1317235734 /nfs/dbraw/zinc/23/57/34/1317235734.db2.gz UORFSYIWNYMABL-UHFFFAOYSA-N 1 0 332.398 3.114 20 10 EGCDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000806177629 1317469343 /nfs/dbraw/zinc/46/93/43/1317469343.db2.gz DVHDIYJZPJJAOM-AWEZNQCLSA-N 1 0 336.863 3.174 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)c(O)c(C(C)(C)C)c1 ZINC000902577299 1317595016 /nfs/dbraw/zinc/59/50/16/1317595016.db2.gz AEGFOLLMONKXHL-GOSISDBHSA-N 1 0 343.471 3.305 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cncc(F)c1 ZINC000902722954 1317608746 /nfs/dbraw/zinc/60/87/46/1317608746.db2.gz FGOIPMLEBNONJZ-KUHUBIRLSA-N 1 0 330.451 3.240 20 10 EGCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000903056941 1317643688 /nfs/dbraw/zinc/64/36/88/1317643688.db2.gz VOYSYZZTRZNRBE-FXAWDEMLSA-N 1 0 332.488 3.085 20 10 EGCDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000808443457 1317678552 /nfs/dbraw/zinc/67/85/52/1317678552.db2.gz FENLLPIABAZIQD-JLTOFOAXSA-N 1 0 342.414 3.274 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c(O)c1 ZINC000808448244 1317679187 /nfs/dbraw/zinc/67/91/87/1317679187.db2.gz ZVIJLMCOXBQCBN-MRXNPFEDSA-N 1 0 328.456 3.401 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2CCCO)N(C)C)cc1 ZINC000903448738 1317701935 /nfs/dbraw/zinc/70/19/35/1317701935.db2.gz RRMNYMKCWQTNPG-QMMLZNLJSA-N 1 0 347.547 3.276 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1O ZINC000808675157 1317713581 /nfs/dbraw/zinc/71/35/81/1317713581.db2.gz YBSFBZVTAGHLAA-DZGCQCFKSA-N 1 0 335.831 3.445 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c1O ZINC000808674921 1317713934 /nfs/dbraw/zinc/71/39/34/1317713934.db2.gz QRYKSGZGYORPIP-LBPRGKRZSA-N 1 0 336.863 3.406 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c1O ZINC000808697304 1317717513 /nfs/dbraw/zinc/71/75/13/1317717513.db2.gz BYMSCLNLJDTVAP-KGLIPLIRSA-N 1 0 327.852 3.448 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1O ZINC000808692203 1317717762 /nfs/dbraw/zinc/71/77/62/1317717762.db2.gz QGNUMHLFTWUDDG-ZDUSSCGKSA-N 1 0 326.868 3.115 20 10 EGCDRO CON(C)C(=O)CC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000808742485 1317728378 /nfs/dbraw/zinc/72/83/78/1317728378.db2.gz WGKAWHABNHJHNJ-MRXNPFEDSA-N 1 0 342.439 3.365 20 10 EGCDRO OC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809539322 1317826719 /nfs/dbraw/zinc/82/67/19/1317826719.db2.gz PYDDYWYWHJNCSF-FQEVSTJZSA-N 1 0 336.479 3.454 20 10 EGCDRO OCC1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809544769 1317828564 /nfs/dbraw/zinc/82/85/64/1317828564.db2.gz TYAFCZPYNGPTOS-UHFFFAOYSA-N 1 0 336.479 3.454 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000904394264 1317841232 /nfs/dbraw/zinc/84/12/32/1317841232.db2.gz QOMKNNYMBMOQAD-FXAWDEMLSA-N 1 0 338.451 3.155 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000904430136 1317845708 /nfs/dbraw/zinc/84/57/08/1317845708.db2.gz FWYWUPSZPOWEQC-INIZCTEOSA-N 1 0 339.277 3.181 20 10 EGCDRO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000809691015 1317864881 /nfs/dbraw/zinc/86/48/81/1317864881.db2.gz GWTYAUXWTINLMP-INIZCTEOSA-N 1 0 338.423 3.412 20 10 EGCDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000809709121 1317870963 /nfs/dbraw/zinc/87/09/63/1317870963.db2.gz MWWRHXZAINNXIK-AWEZNQCLSA-N 1 0 326.824 3.098 20 10 EGCDRO CN(C)c1ccc(CN(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000809732551 1317882354 /nfs/dbraw/zinc/88/23/54/1317882354.db2.gz NONFEWOOEXLPFS-UHFFFAOYSA-N 1 0 329.463 3.456 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000809740337 1317885768 /nfs/dbraw/zinc/88/57/68/1317885768.db2.gz UPIMNTQLJTVIGG-OLZOCXBDSA-N 1 0 338.448 3.182 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3cccc(C)c3)C2)cc1 ZINC000905291051 1317945040 /nfs/dbraw/zinc/94/50/40/1317945040.db2.gz OEMBZMKZFDSNLA-LAUBAEHRSA-N 1 0 340.467 3.153 20 10 EGCDRO CC[C@@]1(C[NH2+]Cc2c(O)cccc2OC)OCCc2ccccc21 ZINC000810160115 1317965818 /nfs/dbraw/zinc/96/58/18/1317965818.db2.gz UVFFZVAJLRAOEY-FQEVSTJZSA-N 1 0 327.424 3.369 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000811513084 1318191097 /nfs/dbraw/zinc/19/10/97/1318191097.db2.gz PVUNLFIATZKNSM-GOSISDBHSA-N 1 0 338.451 3.428 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1O ZINC000811513373 1318192533 /nfs/dbraw/zinc/19/25/33/1318192533.db2.gz UWRDPCHHQPNGTC-GOSISDBHSA-N 1 0 338.451 3.428 20 10 EGCDRO Fc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000811514017 1318193291 /nfs/dbraw/zinc/19/32/91/1318193291.db2.gz ZYHOGWKLUSWVFA-IBGZPJMESA-N 1 0 330.447 3.427 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000812780468 1318453964 /nfs/dbraw/zinc/45/39/64/1318453964.db2.gz FQYDQNRSCONPBS-NRFANRHFSA-N 1 0 341.451 3.218 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1F ZINC000813790736 1318633476 /nfs/dbraw/zinc/63/34/76/1318633476.db2.gz VWPMWIMHOMRTAA-UHFFFAOYSA-N 1 0 339.414 3.033 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000814138352 1318682170 /nfs/dbraw/zinc/68/21/70/1318682170.db2.gz RBGOBOOTXNVNRS-CYBMUJFWSA-N 1 0 331.435 3.161 20 10 EGCDRO CC[N@H+](Cc1ccc(C(=O)NCc2ccc(O)cc2O)cc1)C(C)C ZINC000910954183 1318699422 /nfs/dbraw/zinc/69/94/22/1318699422.db2.gz JHHCGAVMPNLDGX-UHFFFAOYSA-N 1 0 342.439 3.258 20 10 EGCDRO Cc1ncccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858519255 1328786790 /nfs/dbraw/zinc/78/67/90/1328786790.db2.gz XQVGLDOVPWBZCK-CQSZACIVSA-N 1 0 329.419 3.217 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)=C3CCC3)C2)cc1C ZINC001022060244 1318783959 /nfs/dbraw/zinc/78/39/59/1318783959.db2.gz TUIZKCQTZADMTD-HDICACEKSA-N 1 0 328.456 3.241 20 10 EGCDRO Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)ccc1N(C)C ZINC000815069468 1318882276 /nfs/dbraw/zinc/88/22/76/1318882276.db2.gz BHMQGRZBOSDQCQ-HNNXBMFYSA-N 1 0 335.492 3.406 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000815154562 1318915408 /nfs/dbraw/zinc/91/54/08/1318915408.db2.gz GQWAGGCEPKYJES-QGZVFWFLSA-N 1 0 335.448 3.224 20 10 EGCDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000815160343 1318917243 /nfs/dbraw/zinc/91/72/43/1318917243.db2.gz XEIYMBWARIJQEK-KXBFYZLASA-N 1 0 347.459 3.226 20 10 EGCDRO C[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)S(C)(=O)=O ZINC000815597874 1319024589 /nfs/dbraw/zinc/02/45/89/1319024589.db2.gz IAPBAVRDGHNKQP-CRAIPNDOSA-N 1 0 347.480 3.089 20 10 EGCDRO Oc1c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)ccc2ccccc21 ZINC000816517322 1319173489 /nfs/dbraw/zinc/17/34/89/1319173489.db2.gz MBXKHLMGOYMZSR-SFHVURJKSA-N 1 0 327.424 3.315 20 10 EGCDRO O=C(CC[NH2+]Cc1ccc2ccccc2c1O)NCc1ccccc1 ZINC000816544996 1319179906 /nfs/dbraw/zinc/17/99/06/1319179906.db2.gz ZLIDDMHPIDPHJY-UHFFFAOYSA-N 1 0 334.419 3.342 20 10 EGCDRO Cc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000817938083 1319466946 /nfs/dbraw/zinc/46/69/46/1319466946.db2.gz DCEIKTPFCKXGDM-KBXCAEBGSA-N 1 0 342.443 3.320 20 10 EGCDRO COC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000817940718 1319469160 /nfs/dbraw/zinc/46/91/60/1319469160.db2.gz HLSPRKTXNDCLDP-MOPGFXCFSA-N 1 0 347.890 3.383 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(O)c1C ZINC000817939971 1319469235 /nfs/dbraw/zinc/46/92/35/1319469235.db2.gz DOOWOVMHZDCFKK-BEFAXECRSA-N 1 0 327.472 3.426 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000817941034 1319469702 /nfs/dbraw/zinc/46/97/02/1319469702.db2.gz IKEDHTBMIYJYJZ-HZPDHXFCSA-N 1 0 349.400 3.447 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000817941017 1319470083 /nfs/dbraw/zinc/47/00/83/1319470083.db2.gz IGTIIVFBSAJPAQ-YFVAEKQCSA-N 1 0 338.499 3.463 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C12CCCC2 ZINC000817941403 1319470245 /nfs/dbraw/zinc/47/02/45/1319470245.db2.gz JREPORAIAJJEFE-CEXWTWQISA-N 1 0 331.504 3.080 20 10 EGCDRO COc1ncc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000817944084 1319472060 /nfs/dbraw/zinc/47/20/60/1319472060.db2.gz XGDDANOYEQRGQG-YVEFUNNKSA-N 1 0 348.878 3.160 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817965907 1319479109 /nfs/dbraw/zinc/47/91/09/1319479109.db2.gz WXDIFXPLOAYCAP-JMCQJSRRSA-N 1 0 333.657 3.196 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817965909 1319479115 /nfs/dbraw/zinc/47/91/15/1319479115.db2.gz WXDIFXPLOAYCAP-KRTXAFLBSA-N 1 0 333.657 3.196 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(Br)cc(F)c1[O-] ZINC000817970328 1319481030 /nfs/dbraw/zinc/48/10/30/1319481030.db2.gz RKGLKSMXGXHXOL-LSJOCFKGSA-N 1 0 331.229 3.214 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000817996548 1319487769 /nfs/dbraw/zinc/48/77/69/1319487769.db2.gz HYHYSKKWLTWRCY-ACJLOTCBSA-N 1 0 342.439 3.304 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000818005570 1319489774 /nfs/dbraw/zinc/48/97/74/1319489774.db2.gz RZPBQVCQANUCLO-SFHVURJKSA-N 1 0 329.419 3.043 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(C)n1-c1cccc(C)c1 ZINC000818017302 1319492151 /nfs/dbraw/zinc/49/21/51/1319492151.db2.gz ABDDXCFWJLPOEX-OAQYLSRUSA-N 1 0 337.467 3.371 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn(C(C)(C)C)c3)C2)cc1 ZINC000818220043 1319521776 /nfs/dbraw/zinc/52/17/76/1319521776.db2.gz HXGFPAAYMLUMJG-INIZCTEOSA-N 1 0 342.487 3.263 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000818221376 1319521907 /nfs/dbraw/zinc/52/19/07/1319521907.db2.gz LSZYJHHKGMIRJH-DLBZAZTESA-N 1 0 330.472 3.213 20 10 EGCDRO CCc1nc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000818221866 1319522502 /nfs/dbraw/zinc/52/25/02/1319522502.db2.gz USQGJOJHIXPMES-AWEZNQCLSA-N 1 0 331.485 3.330 20 10 EGCDRO COCc1cccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000818222419 1319523127 /nfs/dbraw/zinc/52/31/27/1319523127.db2.gz SLDHXXZKCWTIJU-IBGZPJMESA-N 1 0 340.467 3.458 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(F)cc(OC)c3)C2)cc1 ZINC000818222259 1319523184 /nfs/dbraw/zinc/52/31/84/1319523184.db2.gz RWAYEGLATMCPFO-HNNXBMFYSA-N 1 0 344.430 3.459 20 10 EGCDRO Brc1cc(C[NH2+][C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000818236933 1319524624 /nfs/dbraw/zinc/52/46/24/1319524624.db2.gz VNIGJCSBOZFZEU-CQSZACIVSA-N 1 0 339.277 3.318 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000818941456 1319581174 /nfs/dbraw/zinc/58/11/74/1319581174.db2.gz JVZDPNYZSNAAPE-IBGZPJMESA-N 1 0 348.874 3.073 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3occc3C)C2)cc1C ZINC000961558726 1319651292 /nfs/dbraw/zinc/65/12/92/1319651292.db2.gz WRNBQAWDOSTJBT-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2COCCO2)cc1 ZINC000916840054 1319712076 /nfs/dbraw/zinc/71/20/76/1319712076.db2.gz ZTOMEBYSEZAMOX-OAQYLSRUSA-N 1 0 340.467 3.218 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCOc3ccc(F)cc3)CC2)cc1 ZINC000917089717 1319754380 /nfs/dbraw/zinc/75/43/80/1319754380.db2.gz HGQKSWDFBMHSFV-UHFFFAOYSA-N 1 0 344.430 3.425 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000820504475 1319900887 /nfs/dbraw/zinc/90/08/87/1319900887.db2.gz XFZULVKGBVJFNW-BEFAXECRSA-N 1 0 343.446 3.398 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000918207483 1319934199 /nfs/dbraw/zinc/93/41/99/1319934199.db2.gz ZEVRFXWBGAIBOE-UHFFFAOYSA-N 1 0 346.519 3.064 20 10 EGCDRO C[N@H+](Cc1ccccc1O)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823408804 1320176871 /nfs/dbraw/zinc/17/68/71/1320176871.db2.gz QLZKGKPVTRSILH-DNVCBOLYSA-N 1 0 332.444 3.081 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H](C)O1 ZINC000823764882 1320204499 /nfs/dbraw/zinc/20/44/99/1320204499.db2.gz DAIAYWFGABHFDK-PBFPGSCMSA-N 1 0 340.414 3.412 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCC[C@H]2CCOC2)c1 ZINC000825145097 1320314435 /nfs/dbraw/zinc/31/44/35/1320314435.db2.gz VIPQHKMAINDRHC-LBPRGKRZSA-N 1 0 328.250 3.369 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](SC)C2)c1O ZINC000824683778 1320277159 /nfs/dbraw/zinc/27/71/59/1320277159.db2.gz VSHYPQZWBSECSY-LLVKDONJSA-N 1 0 332.263 3.101 20 10 EGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824694910 1320277601 /nfs/dbraw/zinc/27/76/01/1320277601.db2.gz RXTZKZMVGIPOFK-UHFFFAOYSA-N 1 0 340.851 3.407 20 10 EGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1Cl ZINC000824862301 1320292320 /nfs/dbraw/zinc/29/23/20/1320292320.db2.gz HHJCMUFZXKOHCP-ZBFHGGJFSA-N 1 0 345.892 3.142 20 10 EGCDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000825046045 1320305761 /nfs/dbraw/zinc/30/57/61/1320305761.db2.gz OXMACJUCPDYAQY-QFBILLFUSA-N 1 0 337.423 3.289 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCc3cc(F)c(F)c(F)c31)OCO2 ZINC000825045443 1320305800 /nfs/dbraw/zinc/30/58/00/1320305800.db2.gz DPUPQUUPVCCRSL-NSHDSACASA-N 1 0 337.297 3.315 20 10 EGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000825294567 1320325162 /nfs/dbraw/zinc/32/51/62/1320325162.db2.gz TZRNEOQGGAUJNB-ZDUSSCGKSA-N 1 0 344.249 3.164 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1 ZINC000825325320 1320327827 /nfs/dbraw/zinc/32/78/27/1320327827.db2.gz AONULZGEBMBUCI-IEBWSBKVSA-N 1 0 342.487 3.276 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1Cl ZINC000825357319 1320331123 /nfs/dbraw/zinc/33/11/23/1320331123.db2.gz CHHHBTWFTVCZPV-SJORKVTESA-N 1 0 338.879 3.087 20 10 EGCDRO OC[C@@]1([NH2+]Cc2ccc(Br)cc2O)CCc2ccccc21 ZINC000825375355 1320332576 /nfs/dbraw/zinc/33/25/76/1320332576.db2.gz LWFKKLMCIKCLTO-KRWDZBQOSA-N 1 0 348.240 3.078 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1Cl ZINC000825562540 1320347453 /nfs/dbraw/zinc/34/74/53/1320347453.db2.gz MWOZMTNVNNHKAH-LJQANCHMSA-N 1 0 342.826 3.450 20 10 EGCDRO Cc1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)c(C)n1-c1ccccn1 ZINC000837172779 1320581599 /nfs/dbraw/zinc/58/15/99/1320581599.db2.gz RIKGQVKWRNSZSL-UHFFFAOYSA-N 1 0 340.471 3.093 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(C)n1-c1ccccn1 ZINC000837187281 1320583648 /nfs/dbraw/zinc/58/36/48/1320583648.db2.gz YOOYPKYSKMFODC-QGZVFWFLSA-N 1 0 340.471 3.044 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC1(Cl)Cl ZINC000838528100 1320788733 /nfs/dbraw/zinc/78/87/33/1320788733.db2.gz BTXVMIVGJSJCNM-CQSZACIVSA-N 1 0 329.271 3.149 20 10 EGCDRO CC[N@H+](CCO)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838782776 1320815688 /nfs/dbraw/zinc/81/56/88/1320815688.db2.gz NFEHFUTWFPOUIB-UHFFFAOYSA-N 1 0 341.293 3.254 20 10 EGCDRO COc1cccc(NC(=O)CC[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000839538405 1320934403 /nfs/dbraw/zinc/93/44/03/1320934403.db2.gz CLUOKOPQVUDPAV-CYBMUJFWSA-N 1 0 344.411 3.089 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@@H]3CCN(C(C)C)C3)c2c1 ZINC000840152802 1321040816 /nfs/dbraw/zinc/04/08/16/1321040816.db2.gz OEOWZHCHLBLEHQ-MRXNPFEDSA-N 1 0 328.456 3.469 20 10 EGCDRO COC(=O)c1cnc([C@@H](C)[NH2+]CCCSc2nccs2)s1 ZINC000840721335 1321134622 /nfs/dbraw/zinc/13/46/22/1321134622.db2.gz BZHLRUIQEPFQRE-SECBINFHSA-N 1 0 343.499 3.219 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)ccc1O ZINC000840882403 1321169605 /nfs/dbraw/zinc/16/96/05/1321169605.db2.gz NUIHIWPQEYXTCN-BZNIZROVSA-N 1 0 332.350 3.127 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000840912193 1321176393 /nfs/dbraw/zinc/17/63/93/1321176393.db2.gz JGWKKEXCTYYGKH-FQEVSTJZSA-N 1 0 332.488 3.221 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CS[C@H](C)C2)c1O ZINC000840957733 1321186517 /nfs/dbraw/zinc/18/65/17/1321186517.db2.gz DGNFJBUHCPYQRE-LDYMZIIASA-N 1 0 332.263 3.147 20 10 EGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000840960953 1321187098 /nfs/dbraw/zinc/18/70/98/1321187098.db2.gz OKSUSYLPFNFVFI-ZUZCIYMTSA-N 1 0 328.250 3.448 20 10 EGCDRO COc1sc(C[NH2+]CCc2ccc(N)cc2)cc1Br ZINC000841035426 1321205145 /nfs/dbraw/zinc/20/51/45/1321205145.db2.gz NMWZGGJCUPDHCD-UHFFFAOYSA-N 1 0 341.274 3.434 20 10 EGCDRO [NH3+]C1(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCCC1 ZINC000841040318 1321207053 /nfs/dbraw/zinc/20/70/53/1321207053.db2.gz OKXLSXSFCXNXSP-UHFFFAOYSA-N 1 0 346.475 3.336 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)cc(N)c3)CC2)cc1 ZINC000841072172 1321213748 /nfs/dbraw/zinc/21/37/48/1321213748.db2.gz XRWQVRZOHFLASL-UHFFFAOYSA-N 1 0 325.456 3.344 20 10 EGCDRO Nc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000841301209 1321250002 /nfs/dbraw/zinc/25/00/02/1321250002.db2.gz FVPOWICARHUKAM-UHFFFAOYSA-N 1 0 342.418 3.194 20 10 EGCDRO C[NH2+]Cc1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000841331177 1321258552 /nfs/dbraw/zinc/25/85/52/1321258552.db2.gz WIZAJZDMXPRICM-UHFFFAOYSA-N 1 0 336.486 3.166 20 10 EGCDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841746315 1321305747 /nfs/dbraw/zinc/30/57/47/1321305747.db2.gz YLTSSQVSUZYPML-LBPRGKRZSA-N 1 0 348.830 3.021 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Cl)cc1O ZINC000841748227 1321306081 /nfs/dbraw/zinc/30/60/81/1321306081.db2.gz JLMKKZGDFNDRSR-GUYCJALGSA-N 1 0 344.842 3.497 20 10 EGCDRO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000841758053 1321307171 /nfs/dbraw/zinc/30/71/71/1321307171.db2.gz KCIWMQFMTZGVLS-INIZCTEOSA-N 1 0 346.519 3.382 20 10 EGCDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793496 1321312656 /nfs/dbraw/zinc/31/26/56/1321312656.db2.gz LNLYONLDTCLLIJ-SFHVURJKSA-N 1 0 346.519 3.096 20 10 EGCDRO CN(C)C(=O)c1ccccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000841859264 1321323941 /nfs/dbraw/zinc/32/39/41/1321323941.db2.gz JLNGYRFETCKHND-UHFFFAOYSA-N 1 0 337.467 3.061 20 10 EGCDRO CC(C)[C@H]([NH3+])CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000841944564 1321331273 /nfs/dbraw/zinc/33/12/73/1321331273.db2.gz LMVXRPUEBWRPOI-QGZVFWFLSA-N 1 0 333.476 3.220 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842893047 1321445837 /nfs/dbraw/zinc/44/58/37/1321445837.db2.gz JAAIGRNWYMOEKP-OAHLLOKOSA-N 1 0 344.430 3.005 20 10 EGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000842915214 1321448555 /nfs/dbraw/zinc/44/85/55/1321448555.db2.gz IPEFLXKOYJPKTE-UXLLHSPISA-N 1 0 338.467 3.110 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCSc2ccccc2)cc1 ZINC000843296428 1321499843 /nfs/dbraw/zinc/49/98/43/1321499843.db2.gz CSSBXFWLFZGRQK-GOSISDBHSA-N 1 0 343.496 3.051 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCSc2ccccc2)cc1 ZINC000843296429 1321499866 /nfs/dbraw/zinc/49/98/66/1321499866.db2.gz CSSBXFWLFZGRQK-SFHVURJKSA-N 1 0 343.496 3.051 20 10 EGCDRO CCN(C(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21)c1ccccc1 ZINC000843349471 1321503641 /nfs/dbraw/zinc/50/36/41/1321503641.db2.gz AVWHODOBZZFCRV-MRXNPFEDSA-N 1 0 337.467 3.340 20 10 EGCDRO C[C@@H](C[NH3+])N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000843350103 1321503780 /nfs/dbraw/zinc/50/37/80/1321503780.db2.gz KFSKKBJJMLIBIF-AWEZNQCLSA-N 1 0 325.416 3.320 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NC1(c2ccccc2)CCC1 ZINC000843350341 1321504203 /nfs/dbraw/zinc/50/42/03/1321504203.db2.gz NEBPGYDGTFHSOI-UHFFFAOYSA-N 1 0 349.478 3.094 20 10 EGCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nc(C(C)(C)[NH3+])no1 ZINC000843390218 1321510416 /nfs/dbraw/zinc/51/04/16/1321510416.db2.gz QLLPGBXEYZORBJ-AWEZNQCLSA-N 1 0 344.459 3.107 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843487002 1321522236 /nfs/dbraw/zinc/52/22/36/1321522236.db2.gz YLNLUZYFPXKFCZ-YWZLYKJASA-N 1 0 342.414 3.184 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000843488445 1321522270 /nfs/dbraw/zinc/52/22/70/1321522270.db2.gz ZVAAQRHNCQXUKU-KRWDZBQOSA-N 1 0 331.847 3.064 20 10 EGCDRO CN(C)c1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C(F)(F)F)c1 ZINC000844902905 1321656395 /nfs/dbraw/zinc/65/63/95/1321656395.db2.gz WXVDMIHNAURWFN-YOEHRIQHSA-N 1 0 341.421 3.332 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(OC)cc3F)C2)cc1 ZINC000845986577 1321761646 /nfs/dbraw/zinc/76/16/46/1321761646.db2.gz YUAINWWUQVBWOK-OAHLLOKOSA-N 1 0 344.430 3.459 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2nn(C)c3ccccc23)cc1 ZINC000846052474 1321764478 /nfs/dbraw/zinc/76/44/78/1321764478.db2.gz OGFMYQPWGPUAPM-UHFFFAOYSA-N 1 0 338.455 3.150 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846112134 1321769021 /nfs/dbraw/zinc/76/90/21/1321769021.db2.gz XIDZUWZHIXRDNR-FQEVSTJZSA-N 1 0 327.424 3.080 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000846138562 1321770833 /nfs/dbraw/zinc/77/08/33/1321770833.db2.gz LCNNKZUOXXOMGK-CQSZACIVSA-N 1 0 327.428 3.247 20 10 EGCDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846140347 1321770865 /nfs/dbraw/zinc/77/08/65/1321770865.db2.gz OSOXJEMNPHIJOP-ZDUSSCGKSA-N 1 0 328.412 3.001 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c1O ZINC000846144891 1321771341 /nfs/dbraw/zinc/77/13/41/1321771341.db2.gz NYBLFBDPRSCLSM-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)c1O ZINC000846143249 1321771436 /nfs/dbraw/zinc/77/14/36/1321771436.db2.gz CWOSCSXWIPWUPV-OAHLLOKOSA-N 1 0 337.423 3.480 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1O ZINC000846150666 1321772300 /nfs/dbraw/zinc/77/23/00/1321772300.db2.gz LSMWHWVFQJSNOD-CYBMUJFWSA-N 1 0 346.402 3.011 20 10 EGCDRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846155331 1321772403 /nfs/dbraw/zinc/77/24/03/1321772403.db2.gz WLEPAKFGRBJFRC-ZDUSSCGKSA-N 1 0 347.411 3.148 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1O ZINC000846154520 1321772786 /nfs/dbraw/zinc/77/27/86/1321772786.db2.gz AFOZONGPMPWKSS-ZDUSSCGKSA-N 1 0 329.396 3.413 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)C(=O)NCc1cccs1 ZINC000846172399 1321773846 /nfs/dbraw/zinc/77/38/46/1321773846.db2.gz LWNVLIGVPOPLNQ-IUODEOHRSA-N 1 0 348.468 3.208 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCN4CCCC[C@@H]34)CC2)cc1 ZINC000848568316 1321977711 /nfs/dbraw/zinc/97/77/11/1321977711.db2.gz FNTRXCAYSYVDEV-RTWAWAEBSA-N 1 0 343.515 3.271 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848883915 1322028812 /nfs/dbraw/zinc/02/88/12/1322028812.db2.gz URXLQUFJIDUNHG-FCEWJHQRSA-N 1 0 332.488 3.028 20 10 EGCDRO CCc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1O ZINC000848912316 1322042540 /nfs/dbraw/zinc/04/25/40/1322042540.db2.gz DSXJCIFWPCPZBH-UHFFFAOYSA-N 1 0 342.414 3.357 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)c1O ZINC000848909813 1322043606 /nfs/dbraw/zinc/04/36/06/1322043606.db2.gz BTCKMLWFJNBWIO-UHFFFAOYSA-N 1 0 337.423 3.493 20 10 EGCDRO CCc1cccc(C[NH2+]CCNC(=O)CCCc2ccccc2)c1O ZINC000848917945 1322046323 /nfs/dbraw/zinc/04/63/23/1322046323.db2.gz LCEGLOUMCJKDLM-UHFFFAOYSA-N 1 0 340.467 3.183 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](COC)c2cccc(OC)c2)c(O)c1 ZINC000850362205 1322234692 /nfs/dbraw/zinc/23/46/92/1322234692.db2.gz JPBZMVKJNVSEKD-GOSISDBHSA-N 1 0 331.412 3.277 20 10 EGCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1F ZINC000850406402 1322240703 /nfs/dbraw/zinc/24/07/03/1322240703.db2.gz FUAONTXGHUDINV-UHFFFAOYSA-N 1 0 328.431 3.385 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4cnccc4c3)cc2)CC1 ZINC000850406916 1322240948 /nfs/dbraw/zinc/24/09/48/1322240948.db2.gz YWIHFDLSECVNJJ-UHFFFAOYSA-N 1 0 347.462 3.486 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4c3CCC4)cc2)CC1 ZINC000850406491 1322241058 /nfs/dbraw/zinc/24/10/58/1322241058.db2.gz IKXWAUVMBAPAES-UHFFFAOYSA-N 1 0 336.479 3.426 20 10 EGCDRO CCOC1CCC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000850427291 1322245901 /nfs/dbraw/zinc/24/59/01/1322245901.db2.gz RCWYBLQIENAFHW-UHFFFAOYSA-N 1 0 346.515 3.333 20 10 EGCDRO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566720 1322269879 /nfs/dbraw/zinc/26/98/79/1322269879.db2.gz RAJHYYLKLAMVRB-AWEZNQCLSA-N 1 0 343.471 3.357 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cnn(C4CCC4)c3)CC2)cc1 ZINC000921656639 1322371712 /nfs/dbraw/zinc/37/17/12/1322371712.db2.gz NZTNEWCAWKNGJS-UHFFFAOYSA-N 1 0 340.471 3.375 20 10 EGCDRO O=C(C1CCC1)N(CCC[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921714333 1322384017 /nfs/dbraw/zinc/38/40/17/1322384017.db2.gz DQXZYHGXYWSEST-UHFFFAOYSA-N 1 0 342.483 3.282 20 10 EGCDRO c1csc(N2CCC([NH2+]Cc3ccc4c(c3)CCCO4)CC2)n1 ZINC000922094979 1322454811 /nfs/dbraw/zinc/45/48/11/1322454811.db2.gz PPKRWWRDFJIVLG-UHFFFAOYSA-N 1 0 329.469 3.227 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCCO[C@@H]3CCCCO3)CC2)cc1 ZINC000922230704 1322483422 /nfs/dbraw/zinc/48/34/22/1322483422.db2.gz IKIBEXLMAJDOTB-HXUWFJFHSA-N 1 0 348.487 3.187 20 10 EGCDRO Brc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)nc1 ZINC000922316895 1322499298 /nfs/dbraw/zinc/49/92/98/1322499298.db2.gz IBPMPIODGOIPPL-UHFFFAOYSA-N 1 0 333.229 3.459 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]CCn2nc(C(F)(F)F)cc2C)c1 ZINC000922428172 1322527108 /nfs/dbraw/zinc/52/71/08/1322527108.db2.gz GRJZTGPQKDDUIE-UHFFFAOYSA-N 1 0 343.349 3.104 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)/C=C/C3CC3)C2)cc1C ZINC001023911987 1323019732 /nfs/dbraw/zinc/01/97/32/1323019732.db2.gz AMAGKZRGEFIBTR-LHUXKHBRSA-N 1 0 342.483 3.298 20 10 EGCDRO Cc1cc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)ccc1N(C)C ZINC000852091646 1323144103 /nfs/dbraw/zinc/14/41/03/1323144103.db2.gz IFHUAHXHQALCFJ-LJQANCHMSA-N 1 0 327.472 3.305 20 10 EGCDRO COc1ccnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000924791827 1323164466 /nfs/dbraw/zinc/16/44/66/1323164466.db2.gz BKAPVCHOCVLWAV-HZPDHXFCSA-N 1 0 341.455 3.339 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)CC3=CCSC3)cc2)CC1 ZINC000852747839 1323236042 /nfs/dbraw/zinc/23/60/42/1323236042.db2.gz YSEGHTPMNYJMKL-UHFFFAOYSA-N 1 0 332.513 3.407 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025632469 1324484102 /nfs/dbraw/zinc/48/41/02/1324484102.db2.gz KRRQKOGOZCMWED-ZFWWWQNUSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C4CCC4)C[C@H]23)cc1C ZINC001026165500 1324633944 /nfs/dbraw/zinc/63/39/44/1324633944.db2.gz FPSDXEYWSBUEJJ-CEXWTWQISA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)CC4CC4)C[C@@H]32)cc1C ZINC001026170965 1324639649 /nfs/dbraw/zinc/63/96/49/1324639649.db2.gz MYHFRMSEXYOPJH-GBESFXJTSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3CCCC3)C2)cc1C ZINC001026642089 1324942798 /nfs/dbraw/zinc/94/27/98/1324942798.db2.gz COQABCMOKHDFIP-QGZVFWFLSA-N 1 0 330.472 3.132 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3=CCCC3)C2)cc1C ZINC001026774486 1325015778 /nfs/dbraw/zinc/01/57/78/1325015778.db2.gz AQYNYJZMEWOZBS-QGZVFWFLSA-N 1 0 328.456 3.052 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853555855 1325123179 /nfs/dbraw/zinc/12/31/79/1325123179.db2.gz QUUCTOFSIXUAOD-YOEHRIQHSA-N 1 0 330.472 3.099 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1C(C)C ZINC000853593052 1325131151 /nfs/dbraw/zinc/13/11/51/1325131151.db2.gz DBNITHAHEYZIOQ-MRXNPFEDSA-N 1 0 330.472 3.268 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCC3(C)C)C2)cc1C ZINC001027009355 1325149050 /nfs/dbraw/zinc/14/90/50/1325149050.db2.gz YUTSMGRWWNVTHX-MSOLQXFVSA-N 1 0 344.499 3.378 20 10 EGCDRO C/C(=C/C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccs1 ZINC000856993201 1325552450 /nfs/dbraw/zinc/55/24/50/1325552450.db2.gz ABJQJOQCEINLKB-KVNDZABWSA-N 1 0 329.469 3.034 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000857062316 1325564390 /nfs/dbraw/zinc/56/43/90/1325564390.db2.gz ZYUMTBGGUBNBKS-WBVHZDCISA-N 1 0 347.459 3.035 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1(Cl)CC1 ZINC000926560500 1327617456 /nfs/dbraw/zinc/61/74/56/1327617456.db2.gz UOSDTHQBJIWEIF-NSHDSACASA-N 1 0 330.806 3.051 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1(Cl)CC1 ZINC000926560498 1327618118 /nfs/dbraw/zinc/61/81/18/1327618118.db2.gz UOSDTHQBJIWEIF-LLVKDONJSA-N 1 0 330.806 3.051 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c(O)c1C ZINC000926907271 1327769222 /nfs/dbraw/zinc/76/92/22/1327769222.db2.gz HLIBEFHRRIUESX-HNNXBMFYSA-N 1 0 347.480 3.306 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1O ZINC000926924518 1327780008 /nfs/dbraw/zinc/78/00/08/1327780008.db2.gz ZESNUISEOCAREU-RYUDHWBXSA-N 1 0 332.366 3.078 20 10 EGCDRO CCOCCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000927086107 1327854338 /nfs/dbraw/zinc/85/43/38/1327854338.db2.gz CYUJQNYDJPJJQV-GFCCVEGCSA-N 1 0 346.265 3.167 20 10 EGCDRO CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC[NH+](C)CC1 ZINC000861894393 1329448405 /nfs/dbraw/zinc/44/84/05/1329448405.db2.gz CVXCLDDLIWBMSD-UHFFFAOYSA-N 1 0 340.471 3.045 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862249578 1329471626 /nfs/dbraw/zinc/47/16/26/1329471626.db2.gz VIUGJCPOXAOMFH-AWEZNQCLSA-N 1 0 325.447 3.195 20 10 EGCDRO c1nc(C2CC2)oc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000862273996 1329472933 /nfs/dbraw/zinc/47/29/33/1329472933.db2.gz UZEXFZIZOQQAEJ-UHFFFAOYSA-N 1 0 329.469 3.395 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000862359826 1329477565 /nfs/dbraw/zinc/47/75/65/1329477565.db2.gz RDRAQPMXBAMSPI-UKRRQHHQSA-N 1 0 326.234 3.298 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1F ZINC000862378642 1329480317 /nfs/dbraw/zinc/48/03/17/1329480317.db2.gz WUTACWNTJFNCTQ-GOSISDBHSA-N 1 0 336.426 3.422 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000862387384 1329481158 /nfs/dbraw/zinc/48/11/58/1329481158.db2.gz KNSCJKSDGHFPST-CYBMUJFWSA-N 1 0 328.275 3.482 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2ccccc21 ZINC000862536307 1329493959 /nfs/dbraw/zinc/49/39/59/1329493959.db2.gz GZYKOVASAXCSBF-INIZCTEOSA-N 1 0 331.799 3.318 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000863337322 1329548143 /nfs/dbraw/zinc/54/81/43/1329548143.db2.gz ZYIVMSMQARMAED-CYBMUJFWSA-N 1 0 338.448 3.054 20 10 EGCDRO COc1cc2c(cc1NC[C@@H](O)C[NH+]1CCCC1)oc1ccccc12 ZINC000863556920 1329562872 /nfs/dbraw/zinc/56/28/72/1329562872.db2.gz YYSRIFAWCCBOPO-CQSZACIVSA-N 1 0 340.423 3.463 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000865754215 1329735037 /nfs/dbraw/zinc/73/50/37/1329735037.db2.gz UUTVDWIIMVIDER-RKDXNWHRSA-N 1 0 340.139 3.204 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(Cl)cc1O ZINC000866436751 1330112258 /nfs/dbraw/zinc/11/22/58/1330112258.db2.gz RJMNYASYCPSNLK-PRHODGIISA-N 1 0 334.729 3.091 20 10 EGCDRO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1O ZINC000868040847 1330243119 /nfs/dbraw/zinc/24/31/19/1330243119.db2.gz KPPSHRPIIIKITF-CQSZACIVSA-N 1 0 327.428 3.014 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC(C)(C)C3)C2)cc1C ZINC000968570475 1335964766 /nfs/dbraw/zinc/96/47/66/1335964766.db2.gz AMJUANBHKOIYMP-QGZVFWFLSA-N 1 0 330.472 3.130 20 10 EGCDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001034054599 1342195902 /nfs/dbraw/zinc/19/59/02/1342195902.db2.gz ZPPDLLFRVHFYNF-INIZCTEOSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(C)C)C[C@H]2C)cc1C ZINC001035888350 1343250560 /nfs/dbraw/zinc/25/05/60/1343250560.db2.gz RAEJABOXTMHRQL-SJLPKXTDSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3=CCCC3)C[C@@H]2C)cc1C ZINC001035998032 1343307482 /nfs/dbraw/zinc/30/74/82/1343307482.db2.gz RDIDNRHVMKIAPD-QFBILLFUSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(C)CC3)C[C@@H]2C)cc1C ZINC001036041126 1343309305 /nfs/dbraw/zinc/30/93/05/1343309305.db2.gz GOLUCBDMUCULMH-DOTOQJQBSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1C ZINC001036349610 1343435104 /nfs/dbraw/zinc/43/51/04/1343435104.db2.gz KJSQBVBMBWWYQL-MAUKXSAKSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2CC3(CC3)C2)cc1C ZINC001045196020 1346527325 /nfs/dbraw/zinc/52/73/25/1346527325.db2.gz XKMKKVIDEYGSHM-SFHVURJKSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C)cc1C ZINC001048093269 1347463638 /nfs/dbraw/zinc/46/36/38/1347463638.db2.gz OSYYCWVHWPBGDV-VQIMIIECSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccoc3)C[C@H]2C)cc1C ZINC001048140863 1347479102 /nfs/dbraw/zinc/47/91/02/1347479102.db2.gz QYKWBMLMENBWRX-CRAIPNDOSA-N 1 0 342.439 3.095 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccoc3C)C[C@H]2C)cc1C ZINC001054371038 1349339548 /nfs/dbraw/zinc/33/95/48/1349339548.db2.gz VWTOGNRUGUEPEN-RDTXWAMCSA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2C)cc1C ZINC001054392329 1349346967 /nfs/dbraw/zinc/34/69/67/1349346967.db2.gz RAGIKFDMCOAJCT-DOTOQJQBSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(C)=C3CCC3)C[C@@H]2C)cc1C ZINC001054633635 1349422993 /nfs/dbraw/zinc/42/29/93/1349422993.db2.gz AJCGOOXIHNCOEI-KXBFYZLASA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CCC3)C23CCC3)cc1C ZINC001078526688 1356995005 /nfs/dbraw/zinc/99/50/05/1356995005.db2.gz SLMQNZIWGRVERT-RBUKOAKNSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CCC2)cc1C ZINC001085114973 1358395870 /nfs/dbraw/zinc/39/58/70/1358395870.db2.gz UUHYWKHBAXMGPS-QZTJIDSGSA-N 1 0 330.472 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3CCCC3)C2)cc1C ZINC001086290460 1359056229 /nfs/dbraw/zinc/05/62/29/1359056229.db2.gz QKBHKCJCPTWMHV-SAABIXHNSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CC34CCC4)C2)cc1C ZINC001091258993 1361025090 /nfs/dbraw/zinc/02/50/90/1361025090.db2.gz AJZOVKPFYYQILQ-DAWZGUTISA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)CCC(F)F)C2)cc1C ZINC001100514702 1364142216 /nfs/dbraw/zinc/14/22/16/1364142216.db2.gz IODMZFDYFNGMJH-UHFFFAOYSA-N 1 0 340.414 3.033 20 10 EGCDRO CN1CCN(c2ccc(C[N@H+](C)Cc3cccc(F)c3)cc2F)CC1 ZINC001324711508 1387747508 /nfs/dbraw/zinc/74/75/08/1387747508.db2.gz CPYFZUTZBLZBBJ-UHFFFAOYSA-N 1 0 345.437 3.349 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)CC3CC3)C[C@H]2C)cc1C ZINC001103816580 1365795731 /nfs/dbraw/zinc/79/57/31/1365795731.db2.gz SXZVVBCUBVQOTD-VQIMIIECSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccccc1C1([NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC001324924688 1387826078 /nfs/dbraw/zinc/82/60/78/1387826078.db2.gz VYZNUDLZPHYQIM-UHFFFAOYSA-N 1 0 327.380 3.299 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2C(=O)COc3ccccc32)c(O)c1 ZINC001324964731 1387857667 /nfs/dbraw/zinc/85/76/67/1387857667.db2.gz KKTKBJKXUWKKIT-OAHLLOKOSA-N 1 0 340.423 3.085 20 10 EGCDRO CC(C)C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001201482051 1369554219 /nfs/dbraw/zinc/55/42/19/1369554219.db2.gz CLXIRUNFXHBNIN-UHFFFAOYSA-N 1 0 325.456 3.439 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N(C(C)C)C(C)(C)C[NH3+])c1 ZINC001186850109 1388013999 /nfs/dbraw/zinc/01/39/99/1388013999.db2.gz DYJPJWJZKDVNTA-UHFFFAOYSA-N 1 0 343.471 3.388 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@@H](n2cncn2)C1 ZINC001325629940 1388015703 /nfs/dbraw/zinc/01/57/03/1388015703.db2.gz SVMQIFPKTPDTFI-ZTNFWEORSA-N 1 0 339.487 3.180 20 10 EGCDRO COc1cccc(C(=O)C2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC001203550534 1370165884 /nfs/dbraw/zinc/16/58/84/1370165884.db2.gz YCPFPLCNUHLRGJ-UHFFFAOYSA-N 1 0 325.408 3.496 20 10 EGCDRO Oc1ccccc1C[NH+]1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC001203552494 1370167138 /nfs/dbraw/zinc/16/71/38/1370167138.db2.gz MUBAOHWAVWVXDA-LJQANCHMSA-N 1 0 345.483 3.438 20 10 EGCDRO COc1cccc(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1O ZINC001203585116 1370178838 /nfs/dbraw/zinc/17/88/38/1370178838.db2.gz MBXWKXKHNLTYAG-UHFFFAOYSA-N 1 0 331.412 3.093 20 10 EGCDRO CCOC(=O)C1(C(C)C)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203600249 1370184151 /nfs/dbraw/zinc/18/41/51/1370184151.db2.gz ZHLVCSYJTPUOHQ-UHFFFAOYSA-N 1 0 335.444 3.202 20 10 EGCDRO COc1ccc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)c(O)c1 ZINC001203621392 1370190453 /nfs/dbraw/zinc/19/04/53/1370190453.db2.gz CPYAOOLSCZUXKG-UHFFFAOYSA-N 1 0 330.472 3.241 20 10 EGCDRO COc1ccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c(O)c1 ZINC001203627573 1370192090 /nfs/dbraw/zinc/19/20/90/1370192090.db2.gz JLAQECHMWWLWIY-INIZCTEOSA-N 1 0 326.440 3.107 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c(O)c1 ZINC001203635018 1370195299 /nfs/dbraw/zinc/19/52/99/1370195299.db2.gz GHFYKGMJAYVHKJ-KRWDZBQOSA-N 1 0 328.412 3.148 20 10 EGCDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1O ZINC001203634838 1370195437 /nfs/dbraw/zinc/19/54/37/1370195437.db2.gz XSNHDJGXWHSTCL-HNNXBMFYSA-N 1 0 343.423 3.355 20 10 EGCDRO C[N@@H+]1CCN(Cc2cc(Br)ccc2O)C2(CCCC2)C1 ZINC001203648917 1370200076 /nfs/dbraw/zinc/20/00/76/1370200076.db2.gz ZKWZLDDMAROTLF-UHFFFAOYSA-N 1 0 339.277 3.215 20 10 EGCDRO COC1CC[NH+](C2CCN(Cc3cc(Cl)ccc3O)CC2)CC1 ZINC001203664349 1370207425 /nfs/dbraw/zinc/20/74/25/1370207425.db2.gz AIWBOIBLBZFEBI-UHFFFAOYSA-N 1 0 338.879 3.121 20 10 EGCDRO Cc1cnc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC001203665649 1370208285 /nfs/dbraw/zinc/20/82/85/1370208285.db2.gz RGIODKDYAYIUQI-OAHLLOKOSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)CCc2cccc(C(F)(F)F)n2)c1 ZINC001203670315 1370210351 /nfs/dbraw/zinc/21/03/51/1370210351.db2.gz NSWRNUPFRDYQTR-UHFFFAOYSA-N 1 0 340.345 3.489 20 10 EGCDRO COc1ccc(O)c(C[N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c1 ZINC001203677957 1370213935 /nfs/dbraw/zinc/21/39/35/1370213935.db2.gz CJJJMKDODRUREO-PXNSSMCTSA-N 1 0 338.451 3.107 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(N3c4ccccc4CC3=O)CC2)cc1 ZINC001203933833 1370320358 /nfs/dbraw/zinc/32/03/58/1370320358.db2.gz SDZTUGLEYFZFQT-UHFFFAOYSA-N 1 0 349.478 3.306 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cc1 ZINC001203934396 1370321177 /nfs/dbraw/zinc/32/11/77/1370321177.db2.gz UGCZLNSYJYEDCQ-UHFFFAOYSA-N 1 0 345.487 3.242 20 10 EGCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203934488 1370321382 /nfs/dbraw/zinc/32/13/82/1370321382.db2.gz ZSGHMDWWIAQZBP-LJQANCHMSA-N 1 0 346.515 3.408 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c2ccccc21 ZINC001204235126 1370418001 /nfs/dbraw/zinc/41/80/01/1370418001.db2.gz GWHRWYKHMIXWKE-UHFFFAOYSA-N 1 0 338.451 3.230 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c2ccccc21 ZINC001204235369 1370418070 /nfs/dbraw/zinc/41/80/70/1370418070.db2.gz NGUUCUVPEUQRMZ-NRFANRHFSA-N 1 0 337.467 3.008 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c2ccccc21 ZINC001204240145 1370418815 /nfs/dbraw/zinc/41/88/15/1370418815.db2.gz JBVOJGCIZPJFNQ-UHFFFAOYSA-N 1 0 338.451 3.435 20 10 EGCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204321335 1370443760 /nfs/dbraw/zinc/44/37/60/1370443760.db2.gz CYGWLJZNNNVDSH-LEWJYISDSA-N 1 0 344.499 3.447 20 10 EGCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204323679 1370444165 /nfs/dbraw/zinc/44/41/65/1370444165.db2.gz VMDYIRHQNLDLRS-LEWJYISDSA-N 1 0 344.499 3.304 20 10 EGCDRO Cc1nnc(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)o1 ZINC001204328583 1370445733 /nfs/dbraw/zinc/44/57/33/1370445733.db2.gz JUSYNUVTNSTNGA-UHFFFAOYSA-N 1 0 326.444 3.358 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](F)CC2)c1O ZINC001204336233 1370447176 /nfs/dbraw/zinc/44/71/76/1370447176.db2.gz IBFBHZXHWIVFFM-LBPRGKRZSA-N 1 0 332.213 3.487 20 10 EGCDRO Cc1cc(Br)cc(CN2C[C@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205841839 1370889858 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Cc1c(C[NH+]2CCN(CCc3ccccn3)CC2)c2ccccc2n1C ZINC001138257068 1377694777 /nfs/dbraw/zinc/69/47/77/1377694777.db2.gz URPJRIHXASLUQS-UHFFFAOYSA-N 1 0 348.494 3.242 20 10 EGCDRO Cc1c(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c2ccccc2n1C ZINC001138259959 1377694919 /nfs/dbraw/zinc/69/49/19/1377694919.db2.gz SPMJRNKYNLUIFT-MRXNPFEDSA-N 1 0 336.439 3.238 20 10 EGCDRO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1c(C)n(C)c3ccccc31)C2 ZINC001138256938 1377694926 /nfs/dbraw/zinc/69/49/26/1377694926.db2.gz QDOYJFXSSWDJJT-OAQYLSRUSA-N 1 0 339.483 3.464 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3cccc4nccnc34)CC2)cc1 ZINC001138309349 1377699367 /nfs/dbraw/zinc/69/93/67/1377699367.db2.gz LECUKUZIHDGQTK-UHFFFAOYSA-N 1 0 348.450 3.351 20 10 EGCDRO CCOC1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337109 1377704814 /nfs/dbraw/zinc/70/48/14/1377704814.db2.gz KWOIJAJTZJZPHK-UHFFFAOYSA-N 1 0 330.472 3.092 20 10 EGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138342654 1377706521 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CCN(CC)c1ccc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](C)C2)c(OC)c1 ZINC001138390185 1377714280 /nfs/dbraw/zinc/71/42/80/1377714280.db2.gz OXAFSVZDWCHEKN-DOTOQJQBSA-N 1 0 348.487 3.172 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH+](CC)CC)C2)c(OC)c1 ZINC001138390267 1377714496 /nfs/dbraw/zinc/71/44/96/1377714496.db2.gz QTHVUXZWNSTTPL-LJQANCHMSA-N 1 0 333.520 3.458 20 10 EGCDRO CCOc1cc(C[N@H+](C)Cc2ccccc2O)ccc1OC(C)=O ZINC001139009893 1377817316 /nfs/dbraw/zinc/81/73/16/1377817316.db2.gz XOQMKPMNBPVIOT-UHFFFAOYSA-N 1 0 329.396 3.348 20 10 EGCDRO CCOc1ccncc1CN1CCN(c2ccc(OC)cc2C)CC1 ZINC001139631802 1377922583 /nfs/dbraw/zinc/92/25/83/1377922583.db2.gz GFUUKZBDFBDWJR-UHFFFAOYSA-N 1 0 341.455 3.120 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)ccc1N(C)C ZINC001139669756 1377930404 /nfs/dbraw/zinc/93/04/04/1377930404.db2.gz MADATONLPPBQEM-MRXNPFEDSA-N 1 0 330.394 3.340 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)ccc1N(C)C ZINC001139672530 1377930900 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C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCC[C@@]1(C)O ZINC001140098492 1378007266 /nfs/dbraw/zinc/00/72/66/1378007266.db2.gz BMFBQOVMMFTIRE-XHDPSFHLSA-N 1 0 328.250 3.138 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)CC[C@@]1(C)O ZINC001140098614 1378007489 /nfs/dbraw/zinc/00/74/89/1378007489.db2.gz HWVBOBCDDHCFEM-IAQYHMDHSA-N 1 0 328.250 3.138 20 10 EGCDRO COC(=O)c1ccc(C2C[NH+](Cc3c(C)ccc(C)c3O)C2)cc1 ZINC001140185235 1378028016 /nfs/dbraw/zinc/02/80/16/1378028016.db2.gz TWRZCNNZRYWDAU-UHFFFAOYSA-N 1 0 325.408 3.395 20 10 EGCDRO CC[NH+]1CCN(c2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC001140301984 1378042828 /nfs/dbraw/zinc/04/28/28/1378042828.db2.gz GOVPCJYHQVUYQY-WOJBJXKFSA-N 1 0 327.516 3.451 20 10 EGCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140341199 1378049473 /nfs/dbraw/zinc/04/94/73/1378049473.db2.gz CFNYMRFIAWCEKW-HNNXBMFYSA-N 1 0 338.879 3.121 20 10 EGCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001140464668 1378067824 /nfs/dbraw/zinc/06/78/24/1378067824.db2.gz ZHSSNUQDESEGBF-OAHLLOKOSA-N 1 0 348.830 3.493 20 10 EGCDRO Cc1cnc2n1CCC21CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140467628 1378069189 /nfs/dbraw/zinc/06/91/89/1378069189.db2.gz STEUPXPHSSGXDG-UHFFFAOYSA-N 1 0 331.847 3.488 20 10 EGCDRO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1ccccc1O ZINC001272618454 1378076543 /nfs/dbraw/zinc/07/65/43/1378076543.db2.gz IJRJJRRHCHHOFW-HXUWFJFHSA-N 1 0 328.456 3.149 20 10 EGCDRO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1ccccc1O ZINC001272618453 1378076747 /nfs/dbraw/zinc/07/67/47/1378076747.db2.gz IJRJJRRHCHHOFW-FQEVSTJZSA-N 1 0 328.456 3.149 20 10 EGCDRO Cc1ccc(O)c(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001140621463 1378099681 /nfs/dbraw/zinc/09/96/81/1378099681.db2.gz KTGNEOZSAPPMOQ-MRXNPFEDSA-N 1 0 342.487 3.314 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2cn(CC)nc21 ZINC001140620110 1378099686 /nfs/dbraw/zinc/09/96/86/1378099686.db2.gz CMFYJEFEQTWEIW-KRWDZBQOSA-N 1 0 329.444 3.053 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1 ZINC001140619985 1378099758 /nfs/dbraw/zinc/09/97/58/1378099758.db2.gz XZKFSAUFDZBZGP-UHFFFAOYSA-N 1 0 332.444 3.190 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c1 ZINC001140620436 1378099830 /nfs/dbraw/zinc/09/98/30/1378099830.db2.gz OEBUWUJYLFXWIM-DOTOQJQBSA-N 1 0 343.496 3.254 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)c1 ZINC001140624022 1378100391 /nfs/dbraw/zinc/10/03/91/1378100391.db2.gz CGTLVEGKUCUZLW-UHFFFAOYSA-N 1 0 336.435 3.152 20 10 EGCDRO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001273769068 1378110303 /nfs/dbraw/zinc/11/03/03/1378110303.db2.gz GPJJVTSZWKMNFJ-DOTOQJQBSA-N 1 0 330.472 3.217 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(O)c(C)c1O ZINC001140744344 1378128264 /nfs/dbraw/zinc/12/82/64/1378128264.db2.gz UMUPGIXQKINLOX-UHFFFAOYSA-N 1 0 343.423 3.362 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2noc(C(C)C)n2)c(O)c1 ZINC001140851059 1378158287 /nfs/dbraw/zinc/15/82/87/1378158287.db2.gz ZKJWXWUQKRJUQF-UHFFFAOYSA-N 1 0 346.475 3.419 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)c(O)c1 ZINC001140857349 1378159652 /nfs/dbraw/zinc/15/96/52/1378159652.db2.gz VNYDMNDKLMJODK-QGZVFWFLSA-N 1 0 326.444 3.366 20 10 EGCDRO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC001140947916 1378188248 /nfs/dbraw/zinc/18/82/48/1378188248.db2.gz LMZPBWUYRDBRLE-UHFFFAOYSA-N 1 0 339.435 3.365 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(Cc3ccncc3)CC2)c(OC)c1 ZINC001141030687 1378212845 /nfs/dbraw/zinc/21/28/45/1378212845.db2.gz GSVIBRJPMFGGGC-UHFFFAOYSA-N 1 0 342.439 3.259 20 10 EGCDRO CC[N@H+](Cc1cc(O)ccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001141160926 1378254619 /nfs/dbraw/zinc/25/46/19/1378254619.db2.gz JOFAYOZFIVBABL-SFHVURJKSA-N 1 0 326.440 3.194 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2O)[C@H](c2ccccc2)C1 ZINC001141162319 1378254806 /nfs/dbraw/zinc/25/48/06/1378254806.db2.gz PBGPYWLGFPEQQR-YJBOKZPZSA-N 1 0 341.407 3.224 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc(O)c1OC ZINC001141174302 1378259394 /nfs/dbraw/zinc/25/93/94/1378259394.db2.gz CFXWGJSDTKSXPK-UHFFFAOYSA-N 1 0 330.428 3.107 20 10 EGCDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1cccc(C(C)(C)C)c1O)CC2 ZINC001143108309 1378541958 /nfs/dbraw/zinc/54/19/58/1378541958.db2.gz NBDSRKBNIFLWOW-QGZVFWFLSA-N 1 0 344.499 3.380 20 10 EGCDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143108929 1378542036 /nfs/dbraw/zinc/54/20/36/1378542036.db2.gz ZOESPOMHRUEZAD-HNNXBMFYSA-N 1 0 343.471 3.165 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143117198 1378543416 /nfs/dbraw/zinc/54/34/16/1378543416.db2.gz XBDOOERFCHAEFY-QGZVFWFLSA-N 1 0 334.504 3.232 20 10 EGCDRO CO[C@@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306985 1378713648 /nfs/dbraw/zinc/71/36/48/1378713648.db2.gz ZCIMGQLKRIGKEX-LLVKDONJSA-N 1 0 332.213 3.295 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@]3(CCc4c3cccc4F)C2)c(O)c1 ZINC001144520631 1378740275 /nfs/dbraw/zinc/74/02/75/1378740275.db2.gz WWSANZCZFBDKFF-FQEVSTJZSA-N 1 0 343.398 3.423 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C3CC3)cc2)cc1C ZINC001151907328 1379814167 /nfs/dbraw/zinc/81/41/67/1379814167.db2.gz XJXMLNUVSJPBJT-UHFFFAOYSA-N 1 0 338.451 3.401 20 10 EGCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CC2CCCCCC2)cc1 ZINC001153048026 1380013896 /nfs/dbraw/zinc/01/38/96/1380013896.db2.gz QRYMQLZSCILEBF-UHFFFAOYSA-N 1 0 345.447 3.139 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001156241151 1380547168 /nfs/dbraw/zinc/54/71/68/1380547168.db2.gz BKYBAGUJLUANRR-UHFFFAOYSA-N 1 0 332.488 3.282 20 10 EGCDRO Cc1cccc2ncnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c12 ZINC001156656889 1380605363 /nfs/dbraw/zinc/60/53/63/1380605363.db2.gz ANNLJFWBDASEGA-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H](F)C2)cc1C ZINC001157809156 1381039629 /nfs/dbraw/zinc/03/96/29/1381039629.db2.gz MHEXHRQAEIEGCP-IRXDYDNUSA-N 1 0 336.451 3.128 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C23CCC(CC2)C3)cc1C ZINC001161053764 1382284509 /nfs/dbraw/zinc/28/45/09/1382284509.db2.gz YYVXEOJJUISGKI-UHFFFAOYSA-N 1 0 330.472 3.180 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCNc3cccnc3C)CC2)cc1 ZINC001164334434 1383178558 /nfs/dbraw/zinc/17/85/58/1383178558.db2.gz UIISRBFUPYJBED-UHFFFAOYSA-N 1 0 340.471 3.023 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1Cl ZINC001328759206 1388846902 /nfs/dbraw/zinc/84/69/02/1388846902.db2.gz NJGOMWCUVOEQCG-LBPRGKRZSA-N 1 0 333.819 3.174 20 10 EGCDRO CCCOc1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)c(F)c1 ZINC001167378205 1383616213 /nfs/dbraw/zinc/61/62/13/1383616213.db2.gz HDXLFSZECAOESZ-UHFFFAOYSA-N 1 0 344.430 3.349 20 10 EGCDRO COC(=O)C1(C)CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001168750939 1383992567 /nfs/dbraw/zinc/99/25/67/1383992567.db2.gz NSXDMVUGQBUNKI-UHFFFAOYSA-N 1 0 330.472 3.498 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001169645378 1384168408 /nfs/dbraw/zinc/16/84/08/1384168408.db2.gz NHAGBUCCKWYBFM-SFHVURJKSA-N 1 0 345.487 3.387 20 10 EGCDRO CCc1oc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)cc1C ZINC001171003793 1384427803 /nfs/dbraw/zinc/42/78/03/1384427803.db2.gz XNKFJOOIEXIFDF-UHFFFAOYSA-N 1 0 344.455 3.377 20 10 EGCDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]CCc1ccc(O)c(O)c1)CC2 ZINC001171287383 1384486213 /nfs/dbraw/zinc/48/62/13/1384486213.db2.gz FNEPAAIMIWABTC-ZDUSSCGKSA-N 1 0 347.842 3.449 20 10 EGCDRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001172952816 1384889047 /nfs/dbraw/zinc/88/90/47/1384889047.db2.gz BWQUPRYUDMPHKW-HNNXBMFYSA-N 1 0 335.492 3.488 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c1O ZINC001329167463 1388998060 /nfs/dbraw/zinc/99/80/60/1388998060.db2.gz GMXWNWUQWMWXTP-LJQANCHMSA-N 1 0 338.451 3.349 20 10 EGCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001319716549 1386266468 /nfs/dbraw/zinc/26/64/68/1386266468.db2.gz HQVXOKCYFAPCFM-LJQANCHMSA-N 1 0 331.504 3.366 20 10 EGCDRO CC/C(C)=C/C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178660410 1386270534 /nfs/dbraw/zinc/27/05/34/1386270534.db2.gz WCYVBKDGJGRJBB-SPRNKHAWSA-N 1 0 330.472 3.439 20 10 EGCDRO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC001319859398 1386339550 /nfs/dbraw/zinc/33/95/50/1386339550.db2.gz UIZOLAUDVZHRCA-KRWDZBQOSA-N 1 0 331.504 3.490 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001320248337 1386563118 /nfs/dbraw/zinc/56/31/18/1386563118.db2.gz TUFPAGJTXOIGOL-NCOADZHNSA-N 1 0 332.488 3.338 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001320410671 1386602814 /nfs/dbraw/zinc/60/28/14/1386602814.db2.gz DZWBFAHBJSFYKZ-RHSMWYFYSA-N 1 0 338.451 3.441 20 10 EGCDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320537705 1386641250 /nfs/dbraw/zinc/64/12/50/1386641250.db2.gz QWSBWEWGCPQGCE-INIZCTEOSA-N 1 0 345.487 3.243 20 10 EGCDRO Nc1ccc(N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)CC3)cc1 ZINC001181550399 1387015015 /nfs/dbraw/zinc/01/50/15/1387015015.db2.gz GIFXXIYTSSNOGO-UHFFFAOYSA-N 1 0 335.451 3.288 20 10 EGCDRO CCC(=CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)CC ZINC001181998494 1387091488 /nfs/dbraw/zinc/09/14/88/1387091488.db2.gz BVZWHRCNJJPFFF-GOSISDBHSA-N 1 0 330.472 3.441 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001336290624 1389060718 /nfs/dbraw/zinc/06/07/18/1389060718.db2.gz QQUYKUGEMYIIQT-WMZOPIPTSA-N 1 0 344.503 3.065 20 10 EGCDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1 ZINC001332806907 1390191552 /nfs/dbraw/zinc/19/15/52/1390191552.db2.gz NCGXEGRPXYKLNQ-UHFFFAOYSA-N 1 0 341.455 3.152 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCCOc3ccccc32)c(O)c1OC ZINC001333709162 1390380110 /nfs/dbraw/zinc/38/01/10/1390380110.db2.gz BAQGBSZUDVYZIH-HNNXBMFYSA-N 1 0 329.396 3.413 20 10 EGCDRO Cc1nc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)sc1C ZINC001334153186 1390489887 /nfs/dbraw/zinc/48/98/87/1390489887.db2.gz DBTBEYAERKXRAD-UHFFFAOYSA-N 1 0 345.512 3.258 20 10 EGCDRO Cc1ncc(CC[NH2+]Cc2c(O)cccc2Br)s1 ZINC001351331667 1391627834 /nfs/dbraw/zinc/62/78/34/1391627834.db2.gz ZQGWGYSSXGUCLK-UHFFFAOYSA-N 1 0 327.247 3.252 20 10 EGCDRO Nc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001352790120 1391849505 /nfs/dbraw/zinc/84/95/05/1391849505.db2.gz OTVGTPPHRLCDBC-LJQANCHMSA-N 1 0 338.455 3.445 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)/C=C\c3ccco3)C2)cc1C ZINC001752712579 1440203386 /nfs/dbraw/zinc/20/33/86/1440203386.db2.gz LKMSWABUJHPFOD-MDFLRMMOSA-N 1 0 340.423 3.047 20 10 EGCDRO CCn1cccc1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753019642 1440269411 /nfs/dbraw/zinc/26/94/11/1440269411.db2.gz MWQLCGWBRBBHRK-INIZCTEOSA-N 1 0 343.471 3.123 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CC(C)C)cc1C ZINC001753878472 1440520104 /nfs/dbraw/zinc/52/01/04/1440520104.db2.gz RXKDKWMILSINAL-ZWKOTPCHSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001753956228 1440525732 /nfs/dbraw/zinc/52/57/32/1440525732.db2.gz QDBDAIGPJVDGNK-NWGLXNPWSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2(C)CC=CC2)cc1C ZINC001754166191 1440546418 /nfs/dbraw/zinc/54/64/18/1440546418.db2.gz GWJDDUULUMEMBO-VOTSOKGWSA-N 1 0 328.456 3.122 20 10 EGCDRO C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001754256023 1440559293 /nfs/dbraw/zinc/55/92/93/1440559293.db2.gz JTBRQDDXOYAYTM-CYBMUJFWSA-N 1 0 347.463 3.383 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccc(C)o2)C2CC2)cc1C ZINC001754436330 1440598219 /nfs/dbraw/zinc/59/82/19/1440598219.db2.gz PNPHVBSHBPMDLH-QGZVFWFLSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC(F)(F)C2)cc1C ZINC001755230436 1440786788 /nfs/dbraw/zinc/78/67/88/1440786788.db2.gz JZGWUSNITLTSJY-CHWSQXEVSA-N 1 0 340.414 3.032 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(-c2nn[nH]n2)c1 ZINC000824618254 946867644 /nfs/dbraw/zinc/86/76/44/946867644.db2.gz NYYYXXMQWLBFFX-CQSZACIVSA-N 1 0 348.454 3.100 20 10 EGCDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816591972 1126110781 /nfs/dbraw/zinc/11/07/81/1126110781.db2.gz TTYJXOSVGGRFQL-GOSISDBHSA-N 1 0 325.383 3.378 20 10 EGCDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000865715726 1126115249 /nfs/dbraw/zinc/11/52/49/1126115249.db2.gz CSEBJJSVFYUCDZ-SFHVURJKSA-N 1 0 335.831 3.138 20 10 EGCDRO CCOC[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157741852 455226907 /nfs/dbraw/zinc/22/69/07/455226907.db2.gz XNLJVGSHFPNBGW-CYBMUJFWSA-N 1 0 328.403 3.271 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000183138724 455236578 /nfs/dbraw/zinc/23/65/78/455236578.db2.gz WVPUJEJDGCPSKZ-KRWDZBQOSA-N 1 0 327.424 3.487 20 10 EGCDRO COc1ccc(O)c(CN2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000190133336 455281920 /nfs/dbraw/zinc/28/19/20/455281920.db2.gz QMSIGDUJOGMHNA-SFHVURJKSA-N 1 0 335.350 3.253 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000005939238 452912012 /nfs/dbraw/zinc/91/20/12/452912012.db2.gz DQCQUKZQVRZXPQ-UHFFFAOYSA-N 1 0 338.451 3.212 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000090055261 454267804 /nfs/dbraw/zinc/26/78/04/454267804.db2.gz YNZRSBGLEJIAHB-OXQOHEQNSA-N 1 0 332.488 3.115 20 10 EGCDRO CCn1nc(C)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000160181694 455435523 /nfs/dbraw/zinc/43/55/23/455435523.db2.gz WXHGEUCUARMBLZ-SFHVURJKSA-N 1 0 343.471 3.407 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1F ZINC000122970706 454587368 /nfs/dbraw/zinc/58/73/68/454587368.db2.gz KNDUCDXFTBQCLV-KRWDZBQOSA-N 1 0 336.451 3.052 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000093413544 454713362 /nfs/dbraw/zinc/71/33/62/454713362.db2.gz MKHGGRAFHPDDGN-MRXNPFEDSA-N 1 0 341.455 3.065 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1O ZINC000093532120 454719650 /nfs/dbraw/zinc/71/96/50/454719650.db2.gz FMYISGOKOLSQKS-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000126259519 454881969 /nfs/dbraw/zinc/88/19/69/454881969.db2.gz FILKMBGKDLFTCW-GJZGRUSLSA-N 1 0 336.451 3.128 20 10 EGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000126340378 454886749 /nfs/dbraw/zinc/88/67/49/454886749.db2.gz YEFWIQGQVGBMNR-FUHWJXTLSA-N 1 0 329.488 3.338 20 10 EGCDRO COCC[C@@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000167909444 454925058 /nfs/dbraw/zinc/92/50/58/454925058.db2.gz ROADZGUBEOZEPU-CJNGLKHVSA-N 1 0 326.868 3.025 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000185053772 455493319 /nfs/dbraw/zinc/49/33/19/455493319.db2.gz XDWUGWGOWUJYNZ-OAHLLOKOSA-N 1 0 341.455 3.111 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1O ZINC000154969818 454948906 /nfs/dbraw/zinc/94/89/06/454948906.db2.gz FHMATTABJASYNM-ZWKOTPCHSA-N 1 0 344.455 3.408 20 10 EGCDRO C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000178710692 454968096 /nfs/dbraw/zinc/96/80/96/454968096.db2.gz AITKHVXJWIWNQB-OXQOHEQNSA-N 1 0 337.467 3.239 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)c1O ZINC000179624030 455061219 /nfs/dbraw/zinc/06/12/19/455061219.db2.gz NTTKYQSOWHISTK-UHFFFAOYSA-N 1 0 337.423 3.181 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1F ZINC000179912397 455098544 /nfs/dbraw/zinc/09/85/44/455098544.db2.gz WBARENNPEREWEF-UHFFFAOYSA-N 1 0 347.478 3.163 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000180316169 455157267 /nfs/dbraw/zinc/15/72/67/455157267.db2.gz CKIAYLIRBAMINM-DOMZBBRYSA-N 1 0 340.261 3.464 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000237360824 455177148 /nfs/dbraw/zinc/17/71/48/455177148.db2.gz AFFVFAGWBKYUAN-IBGZPJMESA-N 1 0 326.440 3.328 20 10 EGCDRO COc1ccc(O)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000183513113 455301550 /nfs/dbraw/zinc/30/15/50/455301550.db2.gz NUBWSVPTQJXMPL-SFHVURJKSA-N 1 0 343.423 3.288 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)ccc1OC ZINC000265238810 455303236 /nfs/dbraw/zinc/30/32/36/455303236.db2.gz KRZVMRWOKIESQB-GOSISDBHSA-N 1 0 333.403 3.194 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000158813109 455330723 /nfs/dbraw/zinc/33/07/23/455330723.db2.gz XZJZTFLRNKUDTB-OAHLLOKOSA-N 1 0 346.496 3.397 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]CCc1ccccc1OC(F)F)OCO2 ZINC000190881538 455396394 /nfs/dbraw/zinc/39/63/94/455396394.db2.gz PBIMSUKVTCWGDA-UHFFFAOYSA-N 1 0 337.322 3.055 20 10 EGCDRO Cn1cccc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174621848 455407102 /nfs/dbraw/zinc/40/71/02/455407102.db2.gz LXODYZPVRXNOTJ-AWEZNQCLSA-N 1 0 335.398 3.385 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000184919119 455472628 /nfs/dbraw/zinc/47/26/28/455472628.db2.gz WJOPDPOAIWBJPH-PXNSSMCTSA-N 1 0 340.467 3.425 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1cc(F)ccc1O ZINC000184919414 455472648 /nfs/dbraw/zinc/47/26/48/455472648.db2.gz WTZLODSIRSJDJU-KXBFYZLASA-N 1 0 344.430 3.255 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC000185069167 455495693 /nfs/dbraw/zinc/49/56/93/455495693.db2.gz GXTAHPZYOLLYHW-INIZCTEOSA-N 1 0 325.456 3.411 20 10 EGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185123151 455506419 /nfs/dbraw/zinc/50/64/19/455506419.db2.gz YDMREEVWBTWMBX-KBPBESRZSA-N 1 0 348.468 3.021 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)c1cc(OC)cc(OC)c1)c1ccccc1O ZINC000185211659 455522223 /nfs/dbraw/zinc/52/22/23/455522223.db2.gz HNAIUMRBCCNOKR-HKUYNNGSSA-N 1 0 331.412 3.184 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c(O)c1 ZINC000185321815 455539402 /nfs/dbraw/zinc/53/94/02/455539402.db2.gz YGFXHECYUSHISY-HNNXBMFYSA-N 1 0 328.460 3.302 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Br)cc1O ZINC000185373450 455549692 /nfs/dbraw/zinc/54/96/92/455549692.db2.gz LZGFSBXJTPCQPB-NSHDSACASA-N 1 0 336.229 3.498 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000185375212 455550820 /nfs/dbraw/zinc/55/08/20/455550820.db2.gz DGYYCIHOZYAHKP-QWHCGFSZSA-N 1 0 337.366 3.069 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442560 455559411 /nfs/dbraw/zinc/55/94/11/455559411.db2.gz ZHBZQHXYLXDUDY-OLZOCXBDSA-N 1 0 336.432 3.061 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464275 455561242 /nfs/dbraw/zinc/56/12/42/455561242.db2.gz OESZLNBSLCVYIV-HIFRSBDPSA-N 1 0 340.423 3.136 20 10 EGCDRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000185701639 455601134 /nfs/dbraw/zinc/60/11/34/455601134.db2.gz VMPOZQRXAKNAQP-WCQYABFASA-N 1 0 344.249 3.001 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000283968339 455618341 /nfs/dbraw/zinc/61/83/41/455618341.db2.gz KYEGOWUJFRHDEZ-IBGZPJMESA-N 1 0 328.456 3.405 20 10 EGCDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185826073 455629916 /nfs/dbraw/zinc/62/99/16/455629916.db2.gz KXERVTHKBNUHJW-ACJLOTCBSA-N 1 0 331.412 3.184 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1C ZINC000192533658 455638255 /nfs/dbraw/zinc/63/82/55/455638255.db2.gz YARZAPSWALJOAS-UHFFFAOYSA-N 1 0 330.472 3.234 20 10 EGCDRO C[C@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000192603063 455650465 /nfs/dbraw/zinc/65/04/65/455650465.db2.gz UQRAOVYLOJWEQB-JJRVBVJISA-N 1 0 340.414 3.271 20 10 EGCDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000271473375 455650531 /nfs/dbraw/zinc/65/05/31/455650531.db2.gz KZXPFRZLCBNACC-ADLMAVQZSA-N 1 0 333.359 3.126 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccnc2OCCOC)cc1 ZINC000268773107 455712456 /nfs/dbraw/zinc/71/24/56/455712456.db2.gz MPRQQFPJGIZKSY-INIZCTEOSA-N 1 0 343.471 3.414 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000268773602 455712532 /nfs/dbraw/zinc/71/25/32/455712532.db2.gz GBDQDHWGEIEIHF-LAUBAEHRSA-N 1 0 340.467 3.216 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268838087 455715814 /nfs/dbraw/zinc/71/58/14/455715814.db2.gz YTJPPUVZDUVQQX-OAHLLOKOSA-N 1 0 344.430 3.261 20 10 EGCDRO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000268876305 455717466 /nfs/dbraw/zinc/71/74/66/455717466.db2.gz VFPYNFPKIUYAMS-UHFFFAOYSA-N 1 0 344.842 3.440 20 10 EGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268911108 455728407 /nfs/dbraw/zinc/72/84/07/455728407.db2.gz NDADQYCRIVMFDJ-VBKZILBWSA-N 1 0 344.455 3.154 20 10 EGCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000186303452 455738453 /nfs/dbraw/zinc/73/84/53/455738453.db2.gz SCEPVJKHWRBXMG-MJGOQNOKSA-N 1 0 338.451 3.482 20 10 EGCDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268991654 455756959 /nfs/dbraw/zinc/75/69/59/455756959.db2.gz RLUSXMYWSNFWMF-KDOFPFPSSA-N 1 0 338.492 3.335 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c(O)c1 ZINC000285011382 455777295 /nfs/dbraw/zinc/77/72/95/455777295.db2.gz HCULTHWMIVNROZ-AWEZNQCLSA-N 1 0 330.403 3.229 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1F ZINC000186611111 455805345 /nfs/dbraw/zinc/80/53/45/455805345.db2.gz ZWRNOFGOCAACJN-UHFFFAOYSA-N 1 0 338.224 3.339 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)CSCC[NH+](CC)CC ZINC000269189188 455806960 /nfs/dbraw/zinc/80/69/60/455806960.db2.gz WHNPTIYZOHSANA-UHFFFAOYSA-N 1 0 338.517 3.206 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000269207682 455811784 /nfs/dbraw/zinc/81/17/84/455811784.db2.gz MPGRZAYPRUYYBS-AUUYWEPGSA-N 1 0 325.456 3.212 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000269207685 455812265 /nfs/dbraw/zinc/81/22/65/455812265.db2.gz MPGRZAYPRUYYBS-LIRRHRJNSA-N 1 0 325.456 3.212 20 10 EGCDRO COC[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)OC ZINC000294360321 455812853 /nfs/dbraw/zinc/81/28/53/455812853.db2.gz QJBHEDAQDJFSPX-PKOBYXMFSA-N 1 0 329.440 3.317 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000269248958 455821370 /nfs/dbraw/zinc/82/13/70/455821370.db2.gz ZFADKZGVPQSYGH-RDJZCZTQSA-N 1 0 325.456 3.212 20 10 EGCDRO C[C@H](c1ccccc1)[N@H+](CCC(=O)N(C)C)Cc1ccccc1O ZINC000272063608 455835575 /nfs/dbraw/zinc/83/55/75/455835575.db2.gz SNYCCIMILXUIIK-MRXNPFEDSA-N 1 0 326.440 3.434 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c(O)c1 ZINC000285409485 455839871 /nfs/dbraw/zinc/83/98/71/455839871.db2.gz XONIXQNUEDUOMK-CQSZACIVSA-N 1 0 348.468 3.231 20 10 EGCDRO COc1c([O-])c(C[N@@H+]2CCCC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278636836 455843246 /nfs/dbraw/zinc/84/32/46/455843246.db2.gz HJABPPGSTAFWNO-LBPRGKRZSA-N 1 0 326.418 3.027 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000278926155 455854208 /nfs/dbraw/zinc/85/42/08/455854208.db2.gz WZYDLPQGDVZCDG-SQGPQFPESA-N 1 0 332.488 3.258 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000279965342 455878765 /nfs/dbraw/zinc/87/87/65/455878765.db2.gz PJUUPNHJFGYCBD-CYBMUJFWSA-N 1 0 341.421 3.345 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1O ZINC000280092010 455889895 /nfs/dbraw/zinc/88/98/95/455889895.db2.gz MLSKQIPCXXURAF-UYAOXDASSA-N 1 0 345.439 3.492 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1O ZINC000187312210 455893828 /nfs/dbraw/zinc/89/38/28/455893828.db2.gz RXHHKNLNYSOKFT-GMXVVIOVSA-N 1 0 326.234 3.051 20 10 EGCDRO CC(C)(C)OC1CC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000272279010 455900117 /nfs/dbraw/zinc/90/01/17/455900117.db2.gz MKQHTECQONCERZ-UHFFFAOYSA-N 1 0 346.515 3.331 20 10 EGCDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1C1CCCCC1 ZINC000296349125 455915529 /nfs/dbraw/zinc/91/55/29/455915529.db2.gz HIVOFBKOXKYUGH-SJORKVTESA-N 1 0 328.456 3.293 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280411824 455967251 /nfs/dbraw/zinc/96/72/51/455967251.db2.gz YOPZLORIURXUCX-AWEZNQCLSA-N 1 0 341.329 3.422 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000280584474 456006583 /nfs/dbraw/zinc/00/65/83/456006583.db2.gz MRHACMCEFYWLDF-UHFFFAOYSA-N 1 0 342.212 3.060 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1O ZINC000188262062 456031478 /nfs/dbraw/zinc/03/14/78/456031478.db2.gz BJUDDQZVBPYOLU-OAHLLOKOSA-N 1 0 325.836 3.445 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCc2ccc(SC)cc2)cc1OC ZINC000280849959 456065956 /nfs/dbraw/zinc/06/59/56/456065956.db2.gz ZLUZPJWWXYFWQN-UHFFFAOYSA-N 1 0 333.453 3.464 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1O ZINC000287394487 456068200 /nfs/dbraw/zinc/06/82/00/456068200.db2.gz IUZPPEXLYBRYLS-NVXWUHKLSA-N 1 0 331.460 3.113 20 10 EGCDRO CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000287769995 456077388 /nfs/dbraw/zinc/07/73/88/456077388.db2.gz RLFZRIGHWLUYBZ-QGZVFWFLSA-N 1 0 339.911 3.114 20 10 EGCDRO CC(=O)NCC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271115785 456130992 /nfs/dbraw/zinc/13/09/92/456130992.db2.gz BOSMZLFHUHSXBW-UHFFFAOYSA-N 1 0 338.451 3.407 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1O ZINC000289571761 456131209 /nfs/dbraw/zinc/13/12/09/456131209.db2.gz ZTEWHQIDGSWGJG-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CNC(C)=O)CC2)cc1F ZINC000271146903 456140957 /nfs/dbraw/zinc/14/09/57/456140957.db2.gz SCDDSXAZJGNCLN-UHFFFAOYSA-N 1 0 335.467 3.020 20 10 EGCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000297257538 456164671 /nfs/dbraw/zinc/16/46/71/456164671.db2.gz JSRWIXGDEGWQFF-CMPLNLGQSA-N 1 0 349.349 3.187 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(N2CCCCC2)cc1 ZINC000297407378 456212168 /nfs/dbraw/zinc/21/21/68/456212168.db2.gz SWRLXEIEPACMKY-UYAOXDASSA-N 1 0 345.531 3.174 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000297421264 456215767 /nfs/dbraw/zinc/21/57/67/456215767.db2.gz USBFWBZPQNMLMJ-MKVSYHDVSA-N 1 0 332.444 3.217 20 10 EGCDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000237066047 456226260 /nfs/dbraw/zinc/22/62/60/456226260.db2.gz QKBRSWYGKWCRGT-QGZVFWFLSA-N 1 0 325.456 3.166 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c(O)c1C ZINC000273430413 456230745 /nfs/dbraw/zinc/23/07/45/456230745.db2.gz VLPCJLKSNXBRTB-HZPDHXFCSA-N 1 0 326.440 3.365 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc(F)ccc1O ZINC000273562352 456239082 /nfs/dbraw/zinc/23/90/82/456239082.db2.gz IOPIIXUYDWJXKR-LBPRGKRZSA-N 1 0 328.387 3.274 20 10 EGCDRO C[C@H]([NH2+]CCNc1ccccn1)c1cc(Br)ccc1O ZINC000273607428 456241178 /nfs/dbraw/zinc/24/11/78/456241178.db2.gz UQKPJSBFQXFGGB-NSHDSACASA-N 1 0 336.233 3.312 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c1O ZINC000273733151 456243266 /nfs/dbraw/zinc/24/32/66/456243266.db2.gz KQPWWNONRUVNBO-LBPRGKRZSA-N 1 0 327.852 3.333 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1O ZINC000273702103 456243485 /nfs/dbraw/zinc/24/34/85/456243485.db2.gz DLLGCEXSTHJIOA-UHFFFAOYSA-N 1 0 341.835 3.029 20 10 EGCDRO CC(C)c1nc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(N(C)C)n1 ZINC000302375084 456337686 /nfs/dbraw/zinc/33/76/86/456337686.db2.gz HEBZOSJADZNYKG-ZDUSSCGKSA-N 1 0 328.464 3.300 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccsc3)CC2)cc1 ZINC000305142325 456529905 /nfs/dbraw/zinc/52/99/05/456529905.db2.gz QPJRFXXRRVASOV-GOSISDBHSA-N 1 0 332.469 3.049 20 10 EGCDRO COc1cccc(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c1O ZINC000282571854 456556903 /nfs/dbraw/zinc/55/69/03/456556903.db2.gz ARZHBMZZNQAGJO-MRXNPFEDSA-N 1 0 334.847 3.447 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1O ZINC000283145520 456720995 /nfs/dbraw/zinc/72/09/95/456720995.db2.gz XCQKMHNYASFRHT-QGZVFWFLSA-N 1 0 325.412 3.097 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000283536028 456798581 /nfs/dbraw/zinc/79/85/81/456798581.db2.gz GSNSBQJINVRVFH-DOTOQJQBSA-N 1 0 345.487 3.329 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000283694809 456826390 /nfs/dbraw/zinc/82/63/90/456826390.db2.gz RJGFJEOKBPULSD-MAUKXSAKSA-N 1 0 345.487 3.187 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1C ZINC000363841227 457454178 /nfs/dbraw/zinc/45/41/78/457454178.db2.gz CYOGKFQXIYYEKT-UHFFFAOYSA-N 1 0 329.419 3.255 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1[O-] ZINC000363862381 457456455 /nfs/dbraw/zinc/45/64/55/457456455.db2.gz YWACRISIESXXDW-YUTCNCBUSA-N 1 0 339.277 3.432 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc2ccccc2c1O ZINC000363868539 457457798 /nfs/dbraw/zinc/45/77/98/457457798.db2.gz NVDIFPZFXPRYAK-GDBMZVCRSA-N 1 0 336.439 3.208 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000366299322 457805233 /nfs/dbraw/zinc/80/52/33/457805233.db2.gz NHZWVUCVLSZFOC-GJZGRUSLSA-N 1 0 326.893 3.105 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371466548 457946720 /nfs/dbraw/zinc/94/67/20/457946720.db2.gz PXECERUOFMQMPH-GFCCVEGCSA-N 1 0 332.835 3.421 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(CC[NH+](C)C)CC(C)C ZINC000472228287 458775854 /nfs/dbraw/zinc/77/58/54/458775854.db2.gz ZGQSYLQHKTVRJY-UHFFFAOYSA-N 1 0 344.503 3.216 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)OC)c1 ZINC000527929384 459774847 /nfs/dbraw/zinc/77/48/47/459774847.db2.gz RTNFTSMMHLFBLH-YJYMSZOUSA-N 1 0 331.412 3.448 20 10 EGCDRO Oc1ccc(F)cc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000529667929 459833022 /nfs/dbraw/zinc/83/30/22/459833022.db2.gz BOGULJVBLCFZPR-UHFFFAOYSA-N 1 0 325.387 3.335 20 10 EGCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269714402 547341851 /nfs/dbraw/zinc/34/18/51/547341851.db2.gz RVZUKEVEYMEIJT-HXUWFJFHSA-N 1 0 341.499 3.310 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000727109402 574648988 /nfs/dbraw/zinc/64/89/88/574648988.db2.gz FXNCYIYCIJUMPN-HXUWFJFHSA-N 1 0 337.467 3.404 20 10 EGCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000727225926 574654963 /nfs/dbraw/zinc/65/49/63/574654963.db2.gz RVLUPSILAYQCQY-MRXNPFEDSA-N 1 0 334.508 3.062 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000729596449 574872684 /nfs/dbraw/zinc/87/26/84/574872684.db2.gz BASXUICFGDRUOW-GOSISDBHSA-N 1 0 346.519 3.064 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000729683584 574879103 /nfs/dbraw/zinc/87/91/03/574879103.db2.gz PESXBIGJRZHQII-VQTJNVASSA-N 1 0 338.451 3.012 20 10 EGCDRO CC[NH+](CC)CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731113950 575055604 /nfs/dbraw/zinc/05/56/04/575055604.db2.gz AAYBXLWNMZWWQB-UHFFFAOYSA-N 1 0 346.519 3.064 20 10 EGCDRO Cc1cc(NC(=O)CC[N@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000731847050 575212344 /nfs/dbraw/zinc/21/23/44/575212344.db2.gz BJSBWDCPZMJMTR-UHFFFAOYSA-N 1 0 343.427 3.462 20 10 EGCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(C4CCC4)CC3)c2c1 ZINC000733296699 575325757 /nfs/dbraw/zinc/32/57/57/575325757.db2.gz CWHDQYUCJGMNPH-UHFFFAOYSA-N 1 0 326.440 3.224 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1F ZINC000733323417 575327582 /nfs/dbraw/zinc/32/75/82/575327582.db2.gz ZVXHLPVMLAIEFR-UHFFFAOYSA-N 1 0 349.494 3.016 20 10 EGCDRO CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[NH+](CC)CC ZINC000735998085 575750104 /nfs/dbraw/zinc/75/01/04/575750104.db2.gz KMCLVMQWRVIALL-IBGZPJMESA-N 1 0 331.504 3.364 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741718784 576713299 /nfs/dbraw/zinc/71/32/99/576713299.db2.gz CSUNBHSHNNHLBX-SFHVURJKSA-N 1 0 343.446 3.399 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000741723392 576713701 /nfs/dbraw/zinc/71/37/01/576713701.db2.gz DIUAZDKRIOCQSH-SJLPKXTDSA-N 1 0 325.456 3.307 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cn4ccccc4n3)CC2)cc1 ZINC000742369762 576774565 /nfs/dbraw/zinc/77/45/65/576774565.db2.gz RBFAWUNDIJWYSM-UHFFFAOYSA-N 1 0 336.439 3.102 20 10 EGCDRO CC[C@H](O)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742373042 576775153 /nfs/dbraw/zinc/77/51/53/576775153.db2.gz DTENZQNIMXXSJZ-INIZCTEOSA-N 1 0 335.448 3.226 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000742373376 576775188 /nfs/dbraw/zinc/77/51/88/576775188.db2.gz APLWQPIMONJDBV-MRXNPFEDSA-N 1 0 335.448 3.346 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccnc2)ccc1N1CCCCC1 ZINC000743503651 576810643 /nfs/dbraw/zinc/81/06/43/576810643.db2.gz MJJQLYMYEDPVTR-UHFFFAOYSA-N 1 0 326.400 3.270 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413846 607012457 /nfs/dbraw/zinc/01/24/57/607012457.db2.gz WFZYDVOZWGXOKC-ZIAGYGMSSA-N 1 0 336.443 3.345 20 10 EGCDRO CC(C)[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H](C)[NH3+] ZINC000399546057 1297728117 /nfs/dbraw/zinc/72/81/17/1297728117.db2.gz YQLBUANJENIJAM-APWZRJJASA-N 1 0 331.504 3.255 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)ccc1OC ZINC000751154579 1299517170 /nfs/dbraw/zinc/51/71/70/1299517170.db2.gz YFWIACQTZPWIPU-DEOSSOPVSA-N 1 0 347.480 3.259 20 10 EGCDRO CCC[N@H+](Cc1cc(C(C)C)c(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000022013954 1291208507 /nfs/dbraw/zinc/20/85/07/1291208507.db2.gz SSBNAJYMWBSZFS-INIZCTEOSA-N 1 0 339.501 3.223 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)ccc1N1CCCCC1 ZINC000827813694 1292380362 /nfs/dbraw/zinc/38/03/62/1292380362.db2.gz YMCGQPYBZVYVHG-FQEVSTJZSA-N 1 0 341.499 3.228 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)ccc1N1CCCCC1 ZINC000828549233 1292473281 /nfs/dbraw/zinc/47/32/81/1292473281.db2.gz BMVIDYKUFONKLX-LJQANCHMSA-N 1 0 341.499 3.182 20 10 EGCDRO CCCC[N@H+](CCCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000828711513 1292491969 /nfs/dbraw/zinc/49/19/69/1292491969.db2.gz HHXDHHKAFTWBQX-UHFFFAOYSA-N 1 0 334.504 3.286 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC000830539426 1292729865 /nfs/dbraw/zinc/72/98/65/1292729865.db2.gz HUPOBNVHKSSQBW-UHFFFAOYSA-N 1 0 337.467 3.406 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092401034 1292865764 /nfs/dbraw/zinc/86/57/64/1292865764.db2.gz UMBHCKJFYYCXCA-JKSUJKDBSA-N 1 0 348.487 3.308 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c1O ZINC000093393617 1292921678 /nfs/dbraw/zinc/92/16/78/1292921678.db2.gz IQOFIULWFMXMAO-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000832267356 1292979670 /nfs/dbraw/zinc/97/96/70/1292979670.db2.gz QXEAGXOOBOBASN-DLBZAZTESA-N 1 0 343.496 3.050 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C(F)=C\C2CCCCC2)cc1 ZINC000832286232 1292982285 /nfs/dbraw/zinc/98/22/85/1292982285.db2.gz XLPXZGQFUCMVEW-WQJNHMDYSA-N 1 0 333.451 3.302 20 10 EGCDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCC2)c(C)n1-c1ccccn1 ZINC000104573793 1293024753 /nfs/dbraw/zinc/02/47/53/1293024753.db2.gz QFAOBEDEIWMOKB-UHFFFAOYSA-N 1 0 340.471 3.093 20 10 EGCDRO COc1cccc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1O ZINC000107713650 1293071244 /nfs/dbraw/zinc/07/12/44/1293071244.db2.gz LTJRUAKYZXVESP-AWEZNQCLSA-N 1 0 341.329 3.243 20 10 EGCDRO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235403 1293101441 /nfs/dbraw/zinc/10/14/41/1293101441.db2.gz HKTFVWUFQNLJOV-HNNXBMFYSA-N 1 0 342.439 3.052 20 10 EGCDRO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2O)c1C ZINC000111235776 1293102368 /nfs/dbraw/zinc/10/23/68/1293102368.db2.gz LJMNXTWTUKCHNW-SFHVURJKSA-N 1 0 329.440 3.189 20 10 EGCDRO Fc1cc(C[NH2+]C[C@@H]2CCc3ccccc32)ccc1N1CCOCC1 ZINC000111390697 1293103704 /nfs/dbraw/zinc/10/37/04/1293103704.db2.gz AIOSGMNLPNHBMI-SFHVURJKSA-N 1 0 340.442 3.482 20 10 EGCDRO CCc1cccc2c(CC[NH2+]Cc3cc4c(cc3O)OCO4)c[nH]c21 ZINC000111397701 1293103962 /nfs/dbraw/zinc/10/39/62/1293103962.db2.gz AZSMLEIFCMZLBZ-UHFFFAOYSA-N 1 0 338.407 3.497 20 10 EGCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCC1 ZINC000834523044 1293109749 /nfs/dbraw/zinc/10/97/49/1293109749.db2.gz OQQPNQDQQFPNFY-ICSRJNTNSA-N 1 0 343.515 3.447 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)CC2 ZINC000834689831 1293132405 /nfs/dbraw/zinc/13/24/05/1293132405.db2.gz SYLPCQYPSXKFEP-CYBMUJFWSA-N 1 0 338.329 3.462 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1C ZINC000834899857 1293169040 /nfs/dbraw/zinc/16/90/40/1293169040.db2.gz RHCUVGGDNCZYFM-RLFYNMQTSA-N 1 0 329.444 3.313 20 10 EGCDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000834904906 1293171117 /nfs/dbraw/zinc/17/11/17/1293171117.db2.gz QMEVDYMIANYPHA-NJSLBKSFSA-N 1 0 336.451 3.126 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c(O)c1C ZINC000834911416 1293174245 /nfs/dbraw/zinc/17/42/45/1293174245.db2.gz MYPZGLMXXBDSJN-ZFWWWQNUSA-N 1 0 327.428 3.390 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1c1ccccc1 ZINC000835068846 1293198622 /nfs/dbraw/zinc/19/86/22/1293198622.db2.gz BHVUTIFBDHBPFR-QZTJIDSGSA-N 1 0 325.408 3.089 20 10 EGCDRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000121899748 1293394386 /nfs/dbraw/zinc/39/43/86/1293394386.db2.gz KTNWPPAHRSSWMY-CQSZACIVSA-N 1 0 340.895 3.378 20 10 EGCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000127104630 1293553601 /nfs/dbraw/zinc/55/36/01/1293553601.db2.gz JPDYVEMXUZJXHV-HZPDHXFCSA-N 1 0 338.517 3.151 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])c2C)cc1 ZINC000128660250 1293601687 /nfs/dbraw/zinc/60/16/87/1293601687.db2.gz JCLTWXWBTRZWOP-RTBURBONSA-N 1 0 341.455 3.102 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1C ZINC000130168675 1293646886 /nfs/dbraw/zinc/64/68/86/1293646886.db2.gz LOKDPYQJXRFELN-QGZVFWFLSA-N 1 0 325.456 3.132 20 10 EGCDRO CCC[N@H+](Cc1cc(=O)n2c(C)csc2n1)Cc1ccccc1O ZINC000130721358 1293667325 /nfs/dbraw/zinc/66/73/25/1293667325.db2.gz ANOFNAHBTVXJHF-UHFFFAOYSA-N 1 0 343.452 3.182 20 10 EGCDRO CC(C)c1noc([C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000133716936 1293752284 /nfs/dbraw/zinc/75/22/84/1293752284.db2.gz LTHXRDVPWMRPSE-HNNXBMFYSA-N 1 0 344.459 3.223 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000151115737 1293909196 /nfs/dbraw/zinc/90/91/96/1293909196.db2.gz YJJGPEJVYPVHSA-ZWKOTPCHSA-N 1 0 333.472 3.378 20 10 EGCDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000159956592 1294252415 /nfs/dbraw/zinc/25/24/15/1294252415.db2.gz ORABNCKEBCKSDY-CVEARBPZSA-N 1 0 348.487 3.226 20 10 EGCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160045303 1294256016 /nfs/dbraw/zinc/25/60/16/1294256016.db2.gz RSFGHTIYJOBAEZ-JKSUJKDBSA-N 1 0 348.487 3.226 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCc3ccc(C)nc3)CC2)cc1 ZINC000161584462 1294295690 /nfs/dbraw/zinc/29/56/90/1294295690.db2.gz GQSBTOIBBOGTCA-UHFFFAOYSA-N 1 0 325.456 3.200 20 10 EGCDRO CCC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000161603944 1294296269 /nfs/dbraw/zinc/29/62/69/1294296269.db2.gz DBZDDGQJXGQXNA-INIZCTEOSA-N 1 0 349.494 3.187 20 10 EGCDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000162840276 1294323766 /nfs/dbraw/zinc/32/37/66/1294323766.db2.gz KJRGNNSRMCHGHI-UHFFFAOYSA-N 1 0 331.460 3.422 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1O ZINC000164606999 1294351136 /nfs/dbraw/zinc/35/11/36/1294351136.db2.gz JNZAWXUEJLOZRZ-NRFANRHFSA-N 1 0 339.435 3.383 20 10 EGCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000174743640 1294521333 /nfs/dbraw/zinc/52/13/33/1294521333.db2.gz VFXBPCSQZJZROC-NRFANRHFSA-N 1 0 340.467 3.249 20 10 EGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)n1 ZINC000179440383 1294795220 /nfs/dbraw/zinc/79/52/20/1294795220.db2.gz KRYNMRPGUAILIF-MRXNPFEDSA-N 1 0 327.428 3.342 20 10 EGCDRO Cc1cc(N2CC[NH+](Cc3cccc(C)c3O)CC2)nc(C(C)C)n1 ZINC000179622798 1294808128 /nfs/dbraw/zinc/80/81/28/1294808128.db2.gz LDFLZBCLJUWUPC-UHFFFAOYSA-N 1 0 340.471 3.245 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179641378 1294809573 /nfs/dbraw/zinc/80/95/73/1294809573.db2.gz FIPBRWOXFUNFBV-OAHLLOKOSA-N 1 0 339.277 3.215 20 10 EGCDRO Cc1cccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)c1O ZINC000179680020 1294816325 /nfs/dbraw/zinc/81/63/25/1294816325.db2.gz KCRHRFCERJRRNK-UHFFFAOYSA-N 1 0 330.472 3.315 20 10 EGCDRO Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C[NH+](C)C)c1 ZINC000180781255 1294916264 /nfs/dbraw/zinc/91/62/64/1294916264.db2.gz KEWIQGZROSPYBO-RMKNXTFCSA-N 1 0 326.396 3.120 20 10 EGCDRO Cc1cncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000181844614 1294996305 /nfs/dbraw/zinc/99/63/05/1294996305.db2.gz OZLANFGLOQDGOO-HNNXBMFYSA-N 1 0 329.419 3.217 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C)cc2C)c1 ZINC000182460040 1295048695 /nfs/dbraw/zinc/04/86/95/1295048695.db2.gz GAVBNMGGJOBYAD-HZPDHXFCSA-N 1 0 345.439 3.108 20 10 EGCDRO Cc1cc(C(=O)CN2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1C ZINC000183174696 1295103264 /nfs/dbraw/zinc/10/32/64/1295103264.db2.gz ICEHMQNLEGOBKU-QZTJIDSGSA-N 1 0 340.467 3.288 20 10 EGCDRO COc1ccc(CN2CCC[N@H+](Cc3cccc(C)c3O)CC2)cc1 ZINC000183444123 1295120543 /nfs/dbraw/zinc/12/05/43/1295120543.db2.gz SYYLQUZHFJKRSD-UHFFFAOYSA-N 1 0 340.467 3.417 20 10 EGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1O ZINC000183627708 1295135262 /nfs/dbraw/zinc/13/52/62/1295135262.db2.gz YSSNJAQYTIBLFI-GJZGRUSLSA-N 1 0 333.453 3.295 20 10 EGCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000184945840 1295230967 /nfs/dbraw/zinc/23/09/67/1295230967.db2.gz ZROZGSFSLZHMQT-UGSOOPFHSA-N 1 0 331.412 3.102 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000185164543 1295245213 /nfs/dbraw/zinc/24/52/13/1295245213.db2.gz ZPIYCYLYNALOOZ-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000185267232 1295251838 /nfs/dbraw/zinc/25/18/38/1295251838.db2.gz MQTGQRCRWXFDQZ-ZDUSSCGKSA-N 1 0 334.460 3.446 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1coc(C[NH3+])c1 ZINC000187167894 1295372004 /nfs/dbraw/zinc/37/20/04/1295372004.db2.gz MNHUJHVDTGPNFS-UHFFFAOYSA-N 1 0 327.428 3.001 20 10 EGCDRO COCCO[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000188914256 1295488364 /nfs/dbraw/zinc/48/83/64/1295488364.db2.gz BCTLLUJMSOQFQI-AWEZNQCLSA-N 1 0 345.439 3.255 20 10 EGCDRO CCCNC(=O)C[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000236854459 1296207948 /nfs/dbraw/zinc/20/79/48/1296207948.db2.gz YOZVEJKPTDCMTI-UHFFFAOYSA-N 1 0 339.483 3.329 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000237412456 1296240415 /nfs/dbraw/zinc/24/04/15/1296240415.db2.gz XOGBPYJYWDZKDE-RHSMWYFYSA-N 1 0 325.456 3.354 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]([NH3+])C2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000237740025 1296260429 /nfs/dbraw/zinc/26/04/29/1296260429.db2.gz KEVRVMUDVFFEHL-KRWDZBQOSA-N 1 0 331.847 3.215 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000245606150 1296316717 /nfs/dbraw/zinc/31/67/17/1296316717.db2.gz RBMPIHYACAXWFM-IVSAIRAKSA-N 1 0 336.451 3.269 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000246997549 1296378483 /nfs/dbraw/zinc/37/84/83/1296378483.db2.gz JRVNIWXRIIZZJT-VAMGGRTRSA-N 1 0 344.499 3.457 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@H]1Oc1ccccc1 ZINC000249462057 1296444743 /nfs/dbraw/zinc/44/47/43/1296444743.db2.gz RDKQORNINOJWMK-QXAKKESOSA-N 1 0 331.387 3.246 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(O)ccc1F ZINC000872089490 1296728452 /nfs/dbraw/zinc/72/84/52/1296728452.db2.gz YPCYEVLGJYURCV-AWEZNQCLSA-N 1 0 344.430 3.343 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)NC(=O)OC(C)(C)C ZINC000305883803 1297064077 /nfs/dbraw/zinc/06/40/77/1297064077.db2.gz GDYPKHOECAQFRM-HNNXBMFYSA-N 1 0 333.476 3.290 20 10 EGCDRO COc1ccc(N2CCN(Cc3cc(C)nc(Cl)c3)CC2)cc1 ZINC000320466740 1297166081 /nfs/dbraw/zinc/16/60/81/1297166081.db2.gz NTHBOJIHNQANQY-UHFFFAOYSA-N 1 0 331.847 3.374 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000325070709 1297219575 /nfs/dbraw/zinc/21/95/75/1297219575.db2.gz XEUCUBKCAFDFBQ-BBRMVZONSA-N 1 0 328.456 3.240 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4nccnc4c3)CC2)cc1 ZINC000873035818 1297236799 /nfs/dbraw/zinc/23/67/99/1297236799.db2.gz PDPYCJHOFOPEOR-UHFFFAOYSA-N 1 0 348.450 3.397 20 10 EGCDRO COc1ccc(C[NH2+]CCCC(F)(F)F)cc1Cn1cccn1 ZINC000873065485 1297257025 /nfs/dbraw/zinc/25/70/25/1297257025.db2.gz JQEALNYNRGVBNZ-UHFFFAOYSA-N 1 0 327.350 3.372 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000873195487 1297340410 /nfs/dbraw/zinc/34/04/10/1297340410.db2.gz NCWKHFDSKBRHNL-VBKZILBWSA-N 1 0 345.439 3.238 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000383740036 1297574822 /nfs/dbraw/zinc/57/48/22/1297574822.db2.gz CEYZBSATAYCKLY-CABCVRRESA-N 1 0 332.444 3.272 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000392871597 1297661892 /nfs/dbraw/zinc/66/18/92/1297661892.db2.gz BYVMXGOHEIARPX-BMFZPTHFSA-N 1 0 341.455 3.105 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1cc(Br)ccc1O ZINC000394098898 1297675750 /nfs/dbraw/zinc/67/57/50/1297675750.db2.gz XZRCAXGHOREOLW-SMDDNHRTSA-N 1 0 330.266 3.460 20 10 EGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Br)N1CCCCC1 ZINC000706875110 1298225606 /nfs/dbraw/zinc/22/56/06/1298225606.db2.gz NSIDSIYRFLIYAG-LBPRGKRZSA-N 1 0 327.266 3.119 20 10 EGCDRO CC[NH+]1CCC(N(C)Cc2c(O)cccc2Br)CC1 ZINC000707135490 1298226803 /nfs/dbraw/zinc/22/68/03/1298226803.db2.gz OLWZWVULGLQMFF-UHFFFAOYSA-N 1 0 327.266 3.071 20 10 EGCDRO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715719835 1298283816 /nfs/dbraw/zinc/28/38/16/1298283816.db2.gz VEGKXBGNYCJMGC-LLVKDONJSA-N 1 0 345.256 3.115 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000725846114 1298374095 /nfs/dbraw/zinc/37/40/95/1298374095.db2.gz WBTJOGPVTPECRU-UHFFFAOYSA-N 1 0 331.847 3.195 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000875572540 1298393223 /nfs/dbraw/zinc/39/32/23/1298393223.db2.gz FJZCANPSWNTBEY-DNVCBOLYSA-N 1 0 341.455 3.191 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000745853773 1298491704 /nfs/dbraw/zinc/49/17/04/1298491704.db2.gz BQGMURRLOFGYLZ-SJLPKXTDSA-N 1 0 346.519 3.157 20 10 EGCDRO CC(C)[NH+]1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000746117614 1298536352 /nfs/dbraw/zinc/53/63/52/1298536352.db2.gz IAHDOLWYXRWKFL-UHFFFAOYSA-N 1 0 343.515 3.364 20 10 EGCDRO CCC(CC)[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)OC ZINC000746762487 1298656433 /nfs/dbraw/zinc/65/64/33/1298656433.db2.gz WJMACMNPVGZKMU-FQEVSTJZSA-N 1 0 334.504 3.454 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCc4cccc(F)c4C3)cc2)CC1 ZINC000876742126 1298951745 /nfs/dbraw/zinc/95/17/45/1298951745.db2.gz NQVRMEHZTXEDDW-UHFFFAOYSA-N 1 0 340.442 3.345 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000748850241 1299092250 /nfs/dbraw/zinc/09/22/50/1299092250.db2.gz QOMGXHOLTJYFAO-SFHVURJKSA-N 1 0 343.515 3.332 20 10 EGCDRO CC(C)CN(C(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000749114364 1299145164 /nfs/dbraw/zinc/14/51/64/1299145164.db2.gz ADBKBEFXIZERFB-UHFFFAOYSA-N 1 0 343.515 3.364 20 10 EGCDRO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877169894 1299192335 /nfs/dbraw/zinc/19/23/35/1299192335.db2.gz HAQLPRRKIIEEQB-MRXNPFEDSA-N 1 0 325.456 3.236 20 10 EGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)O1 ZINC000877505018 1299354805 /nfs/dbraw/zinc/35/48/05/1299354805.db2.gz OBEJDKUSGPMBKK-IZZQQSIFSA-N 1 0 346.515 3.331 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(O)c1 ZINC000877537483 1299378549 /nfs/dbraw/zinc/37/85/49/1299378549.db2.gz LZFFVYVJLAJQTG-FQEVSTJZSA-N 1 0 329.415 3.267 20 10 EGCDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877547870 1299389598 /nfs/dbraw/zinc/38/95/98/1299389598.db2.gz MZHFDVHNWPUWSU-QGZVFWFLSA-N 1 0 334.529 3.223 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)cc2)CC1 ZINC000877568819 1299404902 /nfs/dbraw/zinc/40/49/02/1299404902.db2.gz WOBMFPZRYDCDAM-SFTDATJTSA-N 1 0 326.484 3.268 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(F)c3N)C2)cc1 ZINC000877597969 1299422608 /nfs/dbraw/zinc/42/26/08/1299422608.db2.gz DVQHIIWGYXJCLA-AWEZNQCLSA-N 1 0 329.419 3.033 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000877639844 1299448266 /nfs/dbraw/zinc/44/82/66/1299448266.db2.gz PUTHBBXICIFFRF-UHFFFAOYSA-N 1 0 340.467 3.255 20 10 EGCDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000877795824 1299561654 /nfs/dbraw/zinc/56/16/54/1299561654.db2.gz XESUJMPKKFVQGT-LLVKDONJSA-N 1 0 328.250 3.138 20 10 EGCDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000877795825 1299562537 /nfs/dbraw/zinc/56/25/37/1299562537.db2.gz XESUJMPKKFVQGT-NSHDSACASA-N 1 0 328.250 3.138 20 10 EGCDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000877796414 1299562889 /nfs/dbraw/zinc/56/28/89/1299562889.db2.gz GIILSWWIFOQSQU-LBPRGKRZSA-N 1 0 328.250 3.138 20 10 EGCDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C)c(O)c1O ZINC000751532603 1299564008 /nfs/dbraw/zinc/56/40/08/1299564008.db2.gz FFSFQTAFPKCZDZ-UHFFFAOYSA-N 1 0 342.439 3.178 20 10 EGCDRO CC[N@H+](CCc1cnccn1)Cc1cc(Br)ccc1O ZINC000878153550 1299783182 /nfs/dbraw/zinc/78/31/82/1299783182.db2.gz PEMMLSSYNJHKFS-UHFFFAOYSA-N 1 0 336.233 3.009 20 10 EGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1(C)C ZINC000753374748 1299924011 /nfs/dbraw/zinc/92/40/11/1299924011.db2.gz UIFMKPZEWGRJLP-MSOLQXFVSA-N 1 0 347.459 3.488 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000756344922 1300472179 /nfs/dbraw/zinc/47/21/79/1300472179.db2.gz UVKMOPHJFHGYPY-DOTOQJQBSA-N 1 0 328.456 3.224 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Br)cc1O ZINC000756382126 1300480473 /nfs/dbraw/zinc/48/04/73/1300480473.db2.gz RCPXHKBSKBQNJX-TVQRCGJNSA-N 1 0 326.190 3.132 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2c1c(F)ccc2O ZINC000756398676 1300484712 /nfs/dbraw/zinc/48/47/12/1300484712.db2.gz XPTHYFZEXYJWTD-GXTWGEPZSA-N 1 0 344.434 3.230 20 10 EGCDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000756435223 1300489255 /nfs/dbraw/zinc/48/92/55/1300489255.db2.gz XZOBDCUHWYASJB-LBPRGKRZSA-N 1 0 348.830 3.021 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc2c(cc1O)CCCC2 ZINC000756432792 1300489671 /nfs/dbraw/zinc/48/96/71/1300489671.db2.gz SYCFMGHNLRHMON-AWEZNQCLSA-N 1 0 349.438 3.098 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N3CCOC3=O)c2)c1 ZINC000756445217 1300493701 /nfs/dbraw/zinc/49/37/01/1300493701.db2.gz LRAMBMNMVMNIPG-CYBMUJFWSA-N 1 0 342.395 3.208 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)c2c1c(F)ccc2O ZINC000756455597 1300496469 /nfs/dbraw/zinc/49/64/69/1300496469.db2.gz KINBHMGRJQXRRJ-WFASDCNBSA-N 1 0 349.427 3.143 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2c(Br)cnn2C)c(O)c1 ZINC000866431890 1330111328 /nfs/dbraw/zinc/11/13/28/1330111328.db2.gz FSZCHPNVWKASRX-LLVKDONJSA-N 1 0 338.249 3.356 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2c1c(F)ccc2O ZINC000756503799 1300509772 /nfs/dbraw/zinc/50/97/72/1300509772.db2.gz PWBXNOSMMCLJOX-CKYFFXLPSA-N 1 0 332.341 3.306 20 10 EGCDRO C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756546896 1300519074 /nfs/dbraw/zinc/51/90/74/1300519074.db2.gz UQOZRJHNZNKPPI-SNVBAGLBSA-N 1 0 345.256 3.286 20 10 EGCDRO C[C@@H]([NH2+]CCOc1cccnc1)c1cc(Br)ccc1O ZINC000756570145 1300523130 /nfs/dbraw/zinc/52/31/30/1300523130.db2.gz AMTLYGOBMYVVBR-LLVKDONJSA-N 1 0 337.217 3.279 20 10 EGCDRO C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1cc(F)ccc1O ZINC000756596879 1300529619 /nfs/dbraw/zinc/52/96/19/1300529619.db2.gz IEMWIJQCESOELV-AWEZNQCLSA-N 1 0 328.431 3.281 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CCc2cccc(C(N)=O)c2)c2c1c(F)ccc2O ZINC000756682478 1300547455 /nfs/dbraw/zinc/54/74/55/1300547455.db2.gz DMTNKCOMGHVEPL-NHYWBVRUSA-N 1 0 328.387 3.011 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1 ZINC000756707534 1300550423 /nfs/dbraw/zinc/55/04/23/1300550423.db2.gz IMTJYGOMISSIAP-CQSZACIVSA-N 1 0 346.471 3.233 20 10 EGCDRO CO[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)C(F)(F)F ZINC000756836586 1300573901 /nfs/dbraw/zinc/57/39/01/1300573901.db2.gz XIAFPNIIYUCCBK-HQJQHLMTSA-N 1 0 342.155 3.383 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1O ZINC000879647738 1300648069 /nfs/dbraw/zinc/64/80/69/1300648069.db2.gz JRJWGLKOBWIZFE-LLVKDONJSA-N 1 0 341.379 3.239 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccccc1O ZINC000879649365 1300650246 /nfs/dbraw/zinc/65/02/46/1300650246.db2.gz RHKPJCWXLYBIQZ-KGLIPLIRSA-N 1 0 330.403 3.229 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)ccc1N1CCCCC1 ZINC000757700652 1300714266 /nfs/dbraw/zinc/71/42/66/1300714266.db2.gz GUQIMPVPQLXARJ-WOVMCDHWSA-N 1 0 347.459 3.226 20 10 EGCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000758704343 1300940726 /nfs/dbraw/zinc/94/07/26/1300940726.db2.gz YLMZVVHZEVGWGK-GOSISDBHSA-N 1 0 346.519 3.206 20 10 EGCDRO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000758714249 1300942930 /nfs/dbraw/zinc/94/29/30/1300942930.db2.gz DFJUUTNEOCUIOS-UHFFFAOYSA-N 1 0 339.501 3.350 20 10 EGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000759173055 1301031249 /nfs/dbraw/zinc/03/12/49/1301031249.db2.gz MINNYYARMXUFHL-AZUAARDMSA-N 1 0 327.424 3.343 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cnc2ccccn12)C[C@@H]1CCCO1 ZINC000759349289 1301070171 /nfs/dbraw/zinc/07/01/71/1301070171.db2.gz YLSXGLQFIQXRJT-SFHVURJKSA-N 1 0 337.423 3.221 20 10 EGCDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC000760928405 1301364877 /nfs/dbraw/zinc/36/48/77/1301364877.db2.gz MJHLFRNSRXPNGF-UHFFFAOYSA-N 1 0 343.398 3.343 20 10 EGCDRO COc1cc(Cl)cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000761206298 1301419959 /nfs/dbraw/zinc/41/99/59/1301419959.db2.gz VNWKTWWFCIBUFR-AWEZNQCLSA-N 1 0 338.879 3.218 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1O ZINC000763481029 1301912204 /nfs/dbraw/zinc/91/22/04/1301912204.db2.gz PEULCIIAQWPWCK-CQSZACIVSA-N 1 0 348.240 3.426 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1OC ZINC000763625886 1301934294 /nfs/dbraw/zinc/93/42/94/1301934294.db2.gz NZKJQJNLPJEETB-UHFFFAOYSA-N 1 0 337.460 3.483 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C(C)C)C3CC3)CC2)cc1 ZINC000764682979 1302117571 /nfs/dbraw/zinc/11/75/71/1302117571.db2.gz JRKJPQFQFWBWRG-NRFANRHFSA-N 1 0 345.531 3.232 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C(C)(C)C)CC2)cc1 ZINC000764686210 1302117916 /nfs/dbraw/zinc/11/79/16/1302117916.db2.gz ZXUMTNILAAXEMS-KRWDZBQOSA-N 1 0 333.520 3.232 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OCCOC)nc2)cc1 ZINC000764986752 1302181609 /nfs/dbraw/zinc/18/16/09/1302181609.db2.gz FDEWUCHLHUZKPH-MRXNPFEDSA-N 1 0 343.471 3.414 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765973074 1302359343 /nfs/dbraw/zinc/35/93/43/1302359343.db2.gz BPJGXLGMQJGPHG-SFTDATJTSA-N 1 0 345.531 3.437 20 10 EGCDRO Cc1csc([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883290764 1302370462 /nfs/dbraw/zinc/37/04/62/1302370462.db2.gz GDRXERJFPHLPAX-HNNXBMFYSA-N 1 0 330.501 3.054 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000766028861 1302371956 /nfs/dbraw/zinc/37/19/56/1302371956.db2.gz HRDVKIWWEQQTPJ-CQSZACIVSA-N 1 0 326.444 3.402 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000766098021 1302388839 /nfs/dbraw/zinc/38/88/39/1302388839.db2.gz KKFYDPBSCFPHSN-AWEZNQCLSA-N 1 0 330.403 3.219 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000766436632 1302452220 /nfs/dbraw/zinc/45/22/20/1302452220.db2.gz KRCDERHPABEUPP-RHSMWYFYSA-N 1 0 333.451 3.087 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000768145198 1302835913 /nfs/dbraw/zinc/83/59/13/1302835913.db2.gz YHQTZVBALKSMCC-RMKNXTFCSA-N 1 0 338.451 3.232 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000768347966 1302884306 /nfs/dbraw/zinc/88/43/06/1302884306.db2.gz ZRINCDLFHHXFAL-LJQANCHMSA-N 1 0 343.515 3.271 20 10 EGCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc3c(cc1O)CCCC3)CC2 ZINC000768446602 1302905577 /nfs/dbraw/zinc/90/55/77/1302905577.db2.gz LIOUJXPWHYKNLT-QGZVFWFLSA-N 1 0 329.440 3.046 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768445249 1302908318 /nfs/dbraw/zinc/90/83/18/1302908318.db2.gz RCMGJWCFPATAJA-FXAWDEMLSA-N 1 0 339.435 3.415 20 10 EGCDRO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768466330 1302912925 /nfs/dbraw/zinc/91/29/25/1302912925.db2.gz ZFXVMBROBMTJII-INIZCTEOSA-N 1 0 337.778 3.243 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC[C@H]1c1ccccc1 ZINC000768466461 1302914390 /nfs/dbraw/zinc/91/43/90/1302914390.db2.gz QKHGZTJTLHBBHQ-WIBUTAKZSA-N 1 0 339.435 3.444 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)c1 ZINC000768531349 1302926523 /nfs/dbraw/zinc/92/65/23/1302926523.db2.gz CAQKYXPZGRDTPL-MRXNPFEDSA-N 1 0 347.377 3.316 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c(O)c1 ZINC000768984163 1303026737 /nfs/dbraw/zinc/02/67/37/1303026737.db2.gz DYZAUPVTFRDBGZ-UHFFFAOYSA-N 1 0 340.423 3.308 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCSC[C@@H]2CC(=O)OC)cc1 ZINC000769471521 1303120155 /nfs/dbraw/zinc/12/01/55/1303120155.db2.gz VCIOYFLERGQGIJ-KRWDZBQOSA-N 1 0 336.501 3.013 20 10 EGCDRO CC(C)OCC[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769469388 1303120363 /nfs/dbraw/zinc/12/03/63/1303120363.db2.gz XFSGYUSDMFVXSK-UHFFFAOYSA-N 1 0 345.531 3.220 20 10 EGCDRO C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769483616 1303123961 /nfs/dbraw/zinc/12/39/61/1303123961.db2.gz QAOFWNQLCRKBLJ-CQSZACIVSA-N 1 0 341.839 3.260 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC000771935578 1303463466 /nfs/dbraw/zinc/46/34/66/1303463466.db2.gz YHXOGYPJJBVIHE-LJQANCHMSA-N 1 0 326.440 3.280 20 10 EGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCc4cccnc43)cc2)CC1 ZINC000886511468 1303481692 /nfs/dbraw/zinc/48/16/92/1303481692.db2.gz UUUKVCZCWWQTSQ-FQEVSTJZSA-N 1 0 337.467 3.067 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c(O)c1 ZINC000772598852 1303553086 /nfs/dbraw/zinc/55/30/86/1303553086.db2.gz INAJOJKHNRBKCJ-UHFFFAOYSA-N 1 0 340.467 3.499 20 10 EGCDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749214 1303583356 /nfs/dbraw/zinc/58/33/56/1303583356.db2.gz MHOHXNPZFFGJNY-FXAWDEMLSA-N 1 0 343.515 3.447 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)CC1 ZINC000886749111 1303583590 /nfs/dbraw/zinc/58/35/90/1303583590.db2.gz JTXVVQDLJVFFCM-IBGZPJMESA-N 1 0 341.499 3.201 20 10 EGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000772964505 1303599472 /nfs/dbraw/zinc/59/94/72/1303599472.db2.gz NMAMMRXLKSRYLB-HOTGVXAUSA-N 1 0 348.487 3.294 20 10 EGCDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cn1 ZINC000772998257 1303604171 /nfs/dbraw/zinc/60/41/71/1303604171.db2.gz JIRXREWKJWXVOI-AWEZNQCLSA-N 1 0 348.878 3.244 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCCc3nccs3)CC2)cc1 ZINC000773002926 1303605180 /nfs/dbraw/zinc/60/51/80/1303605180.db2.gz ARKDVQYZLFESMN-UHFFFAOYSA-N 1 0 331.485 3.343 20 10 EGCDRO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773128852 1303630336 /nfs/dbraw/zinc/63/03/36/1303630336.db2.gz FXHXUIZVTZBZQZ-INIZCTEOSA-N 1 0 346.519 3.377 20 10 EGCDRO COC(=O)c1cccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000773729288 1303730026 /nfs/dbraw/zinc/73/00/26/1303730026.db2.gz IDLGRFXAUZXOIL-UHFFFAOYSA-N 1 0 341.455 3.345 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000774482000 1303814873 /nfs/dbraw/zinc/81/48/73/1303814873.db2.gz DIZNYISVKKEKGV-CHWSQXEVSA-N 1 0 346.862 3.479 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000774482003 1303815536 /nfs/dbraw/zinc/81/55/36/1303815536.db2.gz DIZNYISVKKEKGV-QWHCGFSZSA-N 1 0 346.862 3.479 20 10 EGCDRO COc1cccc(C2([NH2+]Cc3ccccc3O)CCOCC2)c1F ZINC000775047953 1303894752 /nfs/dbraw/zinc/89/47/52/1303894752.db2.gz PKRIUEHDPQRXQX-UHFFFAOYSA-N 1 0 331.387 3.335 20 10 EGCDRO CCC1(CC)C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCS1 ZINC000775070173 1303900942 /nfs/dbraw/zinc/90/09/42/1303900942.db2.gz ZBBQLFVTSGHSSV-UHFFFAOYSA-N 1 0 340.445 3.417 20 10 EGCDRO C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775137380 1303915622 /nfs/dbraw/zinc/91/56/22/1303915622.db2.gz TZFUAAPMABPEFD-ZUZCIYMTSA-N 1 0 349.228 3.032 20 10 EGCDRO CCN(C)C(=O)C[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000775362207 1303945903 /nfs/dbraw/zinc/94/59/03/1303945903.db2.gz KEMURWIOENEPRO-UHFFFAOYSA-N 1 0 339.483 3.281 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC)c1 ZINC000775376026 1303948267 /nfs/dbraw/zinc/94/82/67/1303948267.db2.gz RCWGWXYXPKWNEV-STQMWFEESA-N 1 0 344.411 3.087 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000775501029 1303975735 /nfs/dbraw/zinc/97/57/35/1303975735.db2.gz BMQAPQRJMMOHGT-ZENOOKHLSA-N 1 0 326.868 3.196 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(Cl)ccc1O ZINC000775550748 1303983611 /nfs/dbraw/zinc/98/36/11/1303983611.db2.gz APDQHABHWRORTE-JSGCOSHPSA-N 1 0 331.865 3.054 20 10 EGCDRO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775830630 1304045674 /nfs/dbraw/zinc/04/56/74/1304045674.db2.gz LFZAPGAZOQEDIA-CQSZACIVSA-N 1 0 331.485 3.090 20 10 EGCDRO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834275 1304046449 /nfs/dbraw/zinc/04/64/49/1304046449.db2.gz MTJQVEWEAASDLO-INIZCTEOSA-N 1 0 325.456 3.028 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775835457 1304047636 /nfs/dbraw/zinc/04/76/36/1304047636.db2.gz ZBTIWJJLMUGTFF-KBXCAEBGSA-N 1 0 348.874 3.497 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000776042361 1304085512 /nfs/dbraw/zinc/08/55/12/1304085512.db2.gz SNYUQPMGRJIWOD-UHFFFAOYSA-N 1 0 349.434 3.365 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]C[C@H]3CCCOC3)C2)cc1 ZINC000776223227 1304116759 /nfs/dbraw/zinc/11/67/59/1304116759.db2.gz RLRVVQLIYMRHCU-HUUCEWRRSA-N 1 0 340.414 3.273 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1O ZINC000776252193 1304121430 /nfs/dbraw/zinc/12/14/30/1304121430.db2.gz PGULBGXMRAUWTM-CYBMUJFWSA-N 1 0 348.805 3.388 20 10 EGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1(C)C ZINC000776499741 1304166250 /nfs/dbraw/zinc/16/62/50/1304166250.db2.gz YFTGDKLOQOCNTP-OWYVNGRQSA-N 1 0 328.250 3.304 20 10 EGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000776810356 1304202847 /nfs/dbraw/zinc/20/28/47/1304202847.db2.gz DZCZFMRBKBZEOU-DOTOQJQBSA-N 1 0 333.476 3.099 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)cc1C ZINC000776938910 1304221423 /nfs/dbraw/zinc/22/14/23/1304221423.db2.gz PPHWHXKQSSAFNY-INIZCTEOSA-N 1 0 346.858 3.096 20 10 EGCDRO COc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c(O)c1 ZINC000778201522 1304418037 /nfs/dbraw/zinc/41/80/37/1304418037.db2.gz JXQAUOCRGKBHPZ-UHFFFAOYSA-N 1 0 331.803 3.231 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC2CC2)c1O ZINC000779038182 1304521760 /nfs/dbraw/zinc/52/17/60/1304521760.db2.gz JXMLAPVFVSKENT-GXFFZTMASA-N 1 0 328.250 3.275 20 10 EGCDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000779052652 1304522723 /nfs/dbraw/zinc/52/27/23/1304522723.db2.gz QWUMCHVATLLHDN-GOSISDBHSA-N 1 0 344.430 3.101 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCc3ccccc3OC)CC2)cc1 ZINC000780285960 1304671889 /nfs/dbraw/zinc/67/18/89/1304671889.db2.gz GBJQFXIEBSANLC-UHFFFAOYSA-N 1 0 340.467 3.459 20 10 EGCDRO Cc1cc(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000780481607 1304698363 /nfs/dbraw/zinc/69/83/63/1304698363.db2.gz ZBFRSJHSVHYRIH-MRXNPFEDSA-N 1 0 348.531 3.275 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)cc2)[C@@]12CCCO2 ZINC000781422848 1304826305 /nfs/dbraw/zinc/82/63/05/1304826305.db2.gz YMHNRHJINVUJCB-ZCNNSNEGSA-N 1 0 332.488 3.349 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccoc2Cl)[NH+](C)C)cc1 ZINC000891249076 1305000504 /nfs/dbraw/zinc/00/05/04/1305000504.db2.gz PFLFYRQEZIRCFS-HNNXBMFYSA-N 1 0 335.835 3.032 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(N2CCOCC2)c1 ZINC000783521473 1305102323 /nfs/dbraw/zinc/10/23/23/1305102323.db2.gz YSQFQCVYCBSNFU-INIZCTEOSA-N 1 0 326.440 3.388 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cc(Br)ccc1O ZINC000783647337 1305122402 /nfs/dbraw/zinc/12/24/02/1305122402.db2.gz JYFSGLPESBFFPR-NILFDRSVSA-N 1 0 339.277 3.432 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cnn(C4CCC4)c3)CC2)cc1 ZINC000891775295 1305161945 /nfs/dbraw/zinc/16/19/45/1305161945.db2.gz LIPSDQBLRYFGAZ-UHFFFAOYSA-N 1 0 340.471 3.329 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCc3ccc(OC)cc3CC2)c1O ZINC000784678610 1305272148 /nfs/dbraw/zinc/27/21/48/1305272148.db2.gz BNBVJZSTQJEQRP-UHFFFAOYSA-N 1 0 327.424 3.400 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(O)c1OC ZINC000892223225 1305284236 /nfs/dbraw/zinc/28/42/36/1305284236.db2.gz GUUAKLFNGQUUQM-GJZGRUSLSA-N 1 0 347.411 3.091 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785540476 1305373530 /nfs/dbraw/zinc/37/35/30/1305373530.db2.gz JXRUGXSNELNRQV-KNHMANMVSA-N 1 0 325.836 3.230 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)cc1 ZINC000785550166 1305377042 /nfs/dbraw/zinc/37/70/42/1305377042.db2.gz XJVIHTOJLBXNON-LJQANCHMSA-N 1 0 329.488 3.166 20 10 EGCDRO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C ZINC000785557744 1305379910 /nfs/dbraw/zinc/37/99/10/1305379910.db2.gz BFNWAXMXOMALTB-XOBRGWDASA-N 1 0 342.439 3.210 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)Cc2ccccc2)c(O)c1OC ZINC000892950119 1305621957 /nfs/dbraw/zinc/62/19/57/1305621957.db2.gz APWOHVDXQBSBIY-OAHLLOKOSA-N 1 0 344.455 3.020 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c(O)c1OC ZINC000893080851 1305695767 /nfs/dbraw/zinc/69/57/67/1305695767.db2.gz SQDPNGNDYXLBQT-CQSZACIVSA-N 1 0 334.441 3.415 20 10 EGCDRO Cc1cc(C)c2c(N)c(C(=O)OCCC[NH+]3CCCC3)sc2n1 ZINC000787989669 1305840827 /nfs/dbraw/zinc/84/08/27/1305840827.db2.gz YNJQFABOCJIGDT-UHFFFAOYSA-N 1 0 333.457 3.138 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)c(O)c1 ZINC000788585397 1305975889 /nfs/dbraw/zinc/97/58/89/1305975889.db2.gz UQDGEZVKVSSKEP-MRXNPFEDSA-N 1 0 326.440 3.366 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788638014 1305989136 /nfs/dbraw/zinc/98/91/36/1305989136.db2.gz FKMLANKYQARROR-MRXNPFEDSA-N 1 0 326.440 3.398 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)c(O)c1OC ZINC000893620505 1305989674 /nfs/dbraw/zinc/98/96/74/1305989674.db2.gz CRMZWVZTZWOFBS-OAHLLOKOSA-N 1 0 345.443 3.354 20 10 EGCDRO CC(C)c1cccc2c1CC[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000788785032 1306015856 /nfs/dbraw/zinc/01/58/56/1306015856.db2.gz OZTJONABDSQGSK-HXUWFJFHSA-N 1 0 339.435 3.500 20 10 EGCDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H](O)c1ccccc1 ZINC000894142605 1306241649 /nfs/dbraw/zinc/24/16/49/1306241649.db2.gz AWOAYQJKGMEPAZ-WMZOPIPTSA-N 1 0 345.439 3.401 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1O ZINC000894196135 1306270084 /nfs/dbraw/zinc/27/00/84/1306270084.db2.gz SGCNZTWGXVZDJF-QGZVFWFLSA-N 1 0 332.419 3.241 20 10 EGCDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894303785 1306332027 /nfs/dbraw/zinc/33/20/27/1306332027.db2.gz HFXHJZFIBZLZHV-INIZCTEOSA-N 1 0 329.396 3.331 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c(O)c1OC ZINC000894743034 1309047622 /nfs/dbraw/zinc/04/76/22/1309047622.db2.gz XPRMSBSTHOMMOF-AWEZNQCLSA-N 1 0 334.243 3.473 20 10 EGCDRO COc1cc(C)cc(CN(CC[NH+](C)C)Cc2ccsc2)c1O ZINC000894986626 1309144626 /nfs/dbraw/zinc/14/46/26/1309144626.db2.gz ZAQURIFMEFJNFD-UHFFFAOYSA-N 1 0 334.485 3.335 20 10 EGCDRO CCCN(CC(=O)OC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792760373 1309224990 /nfs/dbraw/zinc/22/49/90/1309224990.db2.gz HKDWQWXPXJZOTF-UHFFFAOYSA-N 1 0 332.366 3.156 20 10 EGCDRO CN(C)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000792920532 1309260316 /nfs/dbraw/zinc/26/03/16/1309260316.db2.gz ZDNSLOUOIOTXNZ-GOEBONIOSA-N 1 0 341.421 3.488 20 10 EGCDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793042044 1309285768 /nfs/dbraw/zinc/28/57/68/1309285768.db2.gz FGNFSOOTCLYGSM-VXGBXAGGSA-N 1 0 345.409 3.164 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c(C(F)(F)F)c1 ZINC000793255780 1309334094 /nfs/dbraw/zinc/33/40/94/1309334094.db2.gz AXSMWJXVSLSNTM-CYBMUJFWSA-N 1 0 328.378 3.240 20 10 EGCDRO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793389602 1309362093 /nfs/dbraw/zinc/36/20/93/1309362093.db2.gz KGCUPEOHDOEKBH-UHFFFAOYSA-N 1 0 339.395 3.089 20 10 EGCDRO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(OC)cc2O)c1 ZINC000793386342 1309362352 /nfs/dbraw/zinc/36/23/52/1309362352.db2.gz MRRYQDIQODRAAQ-UHFFFAOYSA-N 1 0 339.395 3.089 20 10 EGCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)n(C)n1 ZINC000793520710 1309391751 /nfs/dbraw/zinc/39/17/51/1309391751.db2.gz HXOGJPJBKWHHQP-OAHLLOKOSA-N 1 0 330.501 3.133 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cc(C)nn3C)CC2)cc1 ZINC000793524543 1309393946 /nfs/dbraw/zinc/39/39/46/1309393946.db2.gz HLDHXZQEBGLBER-HNNXBMFYSA-N 1 0 328.460 3.057 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178430 1318690979 /nfs/dbraw/zinc/69/09/79/1318690979.db2.gz PJYSRXYDISGLGU-CQSZACIVSA-N 1 0 340.261 3.403 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793607454 1309415349 /nfs/dbraw/zinc/41/53/49/1309415349.db2.gz DSGMFOQHQLCHNU-DNVCBOLYSA-N 1 0 339.435 3.132 20 10 EGCDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c(O)c1 ZINC000895890386 1309581820 /nfs/dbraw/zinc/58/18/20/1309581820.db2.gz GBVIUESQKCSGEY-QFBILLFUSA-N 1 0 346.377 3.040 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1ccc(C)cc1O ZINC000794795730 1309595391 /nfs/dbraw/zinc/59/53/91/1309595391.db2.gz INXFYOYNEPVEGP-SFHVURJKSA-N 1 0 342.439 3.066 20 10 EGCDRO C[C@H]([NH2+]CCN1CC=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794835197 1309605486 /nfs/dbraw/zinc/60/54/86/1309605486.db2.gz OYJNLXRHHXZUEX-INIZCTEOSA-N 1 0 349.906 3.089 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC=CCC2)c1O ZINC000794837636 1309605525 /nfs/dbraw/zinc/60/55/25/1309605525.db2.gz YESZXRVHFXUYHO-CYBMUJFWSA-N 1 0 339.277 3.376 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H](O)c1ccccc1 ZINC000895947975 1309607426 /nfs/dbraw/zinc/60/74/26/1309607426.db2.gz PBVUOMLTYCMUDZ-DOTOQJQBSA-N 1 0 331.412 3.011 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CSC[C@H]2C)c1O ZINC000796482515 1310012027 /nfs/dbraw/zinc/01/20/27/1310012027.db2.gz NEOFDMQUELBVMY-KCJUWKMLSA-N 1 0 332.263 3.004 20 10 EGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000797140988 1310146616 /nfs/dbraw/zinc/14/66/16/1310146616.db2.gz PGJIEAMZVJXPBP-WOPDTQHZSA-N 1 0 348.472 3.120 20 10 EGCDRO CN(C)c1ccc([C@@H](CNc2cc(C3CC3)ncn2)[NH+](C)C)cc1 ZINC000897522774 1310362681 /nfs/dbraw/zinc/36/26/81/1310362681.db2.gz OPOTYZWQZPNRAF-GOSISDBHSA-N 1 0 325.460 3.135 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817976425 1319484303 /nfs/dbraw/zinc/48/43/03/1319484303.db2.gz LVGVYLPAHYXWQZ-VHSXEESVSA-N 1 0 333.245 3.462 20 10 EGCDRO OC[C@H](C[NH2+]Cc1cc(Br)ccc1O)CC1CCCC1 ZINC000798503561 1310373502 /nfs/dbraw/zinc/37/35/02/1310373502.db2.gz KBZZNTWBPRZBHY-ZDUSSCGKSA-N 1 0 342.277 3.433 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1O ZINC000799154560 1310493143 /nfs/dbraw/zinc/49/31/43/1310493143.db2.gz FAUQBVZGQARAKV-RNJTYBCJSA-N 1 0 333.472 3.471 20 10 EGCDRO CCSCCC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000800283959 1310720557 /nfs/dbraw/zinc/72/05/57/1310720557.db2.gz YEXGTSLRCGMHBG-UHFFFAOYSA-N 1 0 334.279 3.396 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)cc1C ZINC000800312256 1310729824 /nfs/dbraw/zinc/72/98/24/1310729824.db2.gz XGHRHBTYXZNGNW-ZRDIBKRKSA-N 1 0 338.451 3.313 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c(O)c1 ZINC000898448000 1310739566 /nfs/dbraw/zinc/73/95/66/1310739566.db2.gz OCVBCMXRKOTZQX-LJQANCHMSA-N 1 0 327.472 3.159 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCC23CCOCC3)N(C)C)cc1 ZINC000898450373 1310742115 /nfs/dbraw/zinc/74/21/15/1310742115.db2.gz QOVRDWILMBYCBR-PMACEKPBSA-N 1 0 345.531 3.294 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCSCC1 ZINC000898450624 1310742350 /nfs/dbraw/zinc/74/23/50/1310742350.db2.gz SGRDSDDOLOFBGI-DNVCBOLYSA-N 1 0 335.561 3.477 20 10 EGCDRO CCC(CC)(CCO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000800894814 1310829728 /nfs/dbraw/zinc/82/97/28/1310829728.db2.gz MKXHXPLEMYIILJ-UHFFFAOYSA-N 1 0 346.265 3.194 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCCC23CCC3)[NH+](C)C)cc1 ZINC000899097473 1310932017 /nfs/dbraw/zinc/93/20/17/1310932017.db2.gz AYFZILZAACNDNT-SFHVURJKSA-N 1 0 344.503 3.083 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000824895432 1320294136 /nfs/dbraw/zinc/29/41/36/1320294136.db2.gz XKCJAKREYKPWEO-CYBMUJFWSA-N 1 0 340.261 3.403 20 10 EGCDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825390731 1320334181 /nfs/dbraw/zinc/33/41/81/1320334181.db2.gz KDYUMPCYDIAZON-INIZCTEOSA-N 1 0 347.256 3.431 20 10 EGCDRO COCC1(C[NH2+]Cc2ccc(Br)cc2O)CCCC1 ZINC000826100865 1320383459 /nfs/dbraw/zinc/38/34/59/1320383459.db2.gz WCUQKXJGRVYWFR-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000826120473 1320384292 /nfs/dbraw/zinc/38/42/92/1320384292.db2.gz DSGHGOHZEGVGKN-BONVTDFDSA-N 1 0 328.250 3.448 20 10 EGCDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000837008282 1320564732 /nfs/dbraw/zinc/56/47/32/1320564732.db2.gz QQBICEDRCPUJTK-OAHLLOKOSA-N 1 0 340.471 3.045 20 10 EGCDRO COc1cccc(O)c1CNc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000839183605 1320888836 /nfs/dbraw/zinc/88/88/36/1320888836.db2.gz CBMYEKBTTWSUBJ-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000802184709 1316985654 /nfs/dbraw/zinc/98/56/54/1316985654.db2.gz MOWKQIFIDBGFOJ-SFHVURJKSA-N 1 0 345.487 3.188 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3C=CCCC3)C2)cc1C ZINC001019028995 1317011635 /nfs/dbraw/zinc/01/16/35/1317011635.db2.gz JRPZYXPFUNRTBW-MJGOQNOKSA-N 1 0 342.483 3.441 20 10 EGCDRO C[C@@H](O)c1ccc(C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858106537 1328683807 /nfs/dbraw/zinc/68/38/07/1328683807.db2.gz KQUMRQWBBIOLCM-LLVKDONJSA-N 1 0 336.229 3.498 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(F)CCCCC3)C2)cc1C ZINC001019605769 1317303192 /nfs/dbraw/zinc/30/31/92/1317303192.db2.gz RDTKNUJOCXVYIH-KRWDZBQOSA-N 1 0 348.462 3.367 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000805767591 1317421003 /nfs/dbraw/zinc/42/10/03/1317421003.db2.gz LVWHBLUJGGEGBO-SJCJKPOMSA-N 1 0 336.863 3.307 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cccs3)C2)cc1C ZINC001019957749 1317475706 /nfs/dbraw/zinc/47/57/06/1317475706.db2.gz POYNWJOBNLDSPR-SHTZXODSSA-N 1 0 330.453 3.116 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1F ZINC000858172423 1328702450 /nfs/dbraw/zinc/70/24/50/1328702450.db2.gz UEYWEIMGIFJHIU-BEFAXECRSA-N 1 0 347.409 3.436 20 10 EGCDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807141751 1317552629 /nfs/dbraw/zinc/55/26/29/1317552629.db2.gz VIUYVVLKLPGNNK-FCEWJHQRSA-N 1 0 344.503 3.082 20 10 EGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3c(O)ccc4ccncc43)C2)n1 ZINC000902585163 1317596805 /nfs/dbraw/zinc/59/68/05/1317596805.db2.gz RHZZJSZLCILNGR-AWEZNQCLSA-N 1 0 338.411 3.087 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]3COCC[C@@H]31)oc1ccccc12 ZINC000902625402 1317600486 /nfs/dbraw/zinc/60/04/86/1317600486.db2.gz BYKOTMHEOGEWNT-OXJNMPFZSA-N 1 0 339.391 3.281 20 10 EGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903162283 1317665158 /nfs/dbraw/zinc/66/51/58/1317665158.db2.gz CCHWZMWXHCFEPS-GFCCVEGCSA-N 1 0 325.334 3.193 20 10 EGCDRO CCN(C(=O)C[NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000903194557 1317671325 /nfs/dbraw/zinc/67/13/25/1317671325.db2.gz FBLYSOJZXMXRGC-AWEZNQCLSA-N 1 0 328.412 3.105 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)cc1C ZINC001020385309 1317673460 /nfs/dbraw/zinc/67/34/60/1317673460.db2.gz GPYASCSWLCVGGM-BRSBDYLESA-N 1 0 344.499 3.423 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1O ZINC000808427012 1317675425 /nfs/dbraw/zinc/67/54/25/1317675425.db2.gz UTTDOCGFLJVCRK-CQSZACIVSA-N 1 0 341.329 3.243 20 10 EGCDRO CC[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(Br)ccc1O ZINC000903409414 1317698236 /nfs/dbraw/zinc/69/82/36/1317698236.db2.gz WNPYWMHJRMKNCG-ZIAGYGMSSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(O)c1 ZINC000903447823 1317701169 /nfs/dbraw/zinc/70/11/69/1317701169.db2.gz CVUPLXUMOKEPID-YWZLYKJASA-N 1 0 327.472 3.412 20 10 EGCDRO Cc1ccncc1[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449437 1317702010 /nfs/dbraw/zinc/70/20/10/1317702010.db2.gz YSSKXVQTFXLCJG-OXJNMPFZSA-N 1 0 326.488 3.410 20 10 EGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448302 1317702109 /nfs/dbraw/zinc/70/21/09/1317702109.db2.gz MWUQPDCLOXXIED-FZKQIMNGSA-N 1 0 330.476 3.311 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)cn1 ZINC000903448185 1317702298 /nfs/dbraw/zinc/70/22/98/1317702298.db2.gz LSUWBMHTRYVEOY-KUHUBIRLSA-N 1 0 330.451 3.240 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)c1O ZINC000808676381 1317713799 /nfs/dbraw/zinc/71/37/99/1317713799.db2.gz CBBURYQLODDQHB-GFCCVEGCSA-N 1 0 343.818 3.181 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1O ZINC000808707887 1317719297 /nfs/dbraw/zinc/71/92/97/1317719297.db2.gz BRDNKIZXNNUQGP-FDQGKXFDSA-N 1 0 349.858 3.489 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)c1ccc(C)cc1O ZINC000808722195 1317723157 /nfs/dbraw/zinc/72/31/57/1317723157.db2.gz AIFIGAWDZYEPBK-OQIJWPOYSA-N 1 0 330.472 3.388 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)c4c3c(O)ccc4F)[C@H]2C1 ZINC000808722236 1317723372 /nfs/dbraw/zinc/72/33/72/1317723372.db2.gz BKWXQXXMNIYWAH-VRWYTHRKSA-N 1 0 346.446 3.316 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc(OC)c1O ZINC000809618391 1317846697 /nfs/dbraw/zinc/84/66/97/1317846697.db2.gz HRRPLSZYAXGXIR-UHFFFAOYSA-N 1 0 330.428 3.074 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1OC ZINC000809655675 1317857444 /nfs/dbraw/zinc/85/74/44/1317857444.db2.gz OJVBHNDVLNSRGE-LJQANCHMSA-N 1 0 345.439 3.259 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000858278506 1328727622 /nfs/dbraw/zinc/72/76/22/1328727622.db2.gz AZLHCBWGZVDJJT-BEFAXECRSA-N 1 0 333.476 3.010 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000858278509 1328727726 /nfs/dbraw/zinc/72/77/26/1328727726.db2.gz AZLHCBWGZVDJJT-KXBFYZLASA-N 1 0 333.476 3.010 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000809698096 1317868431 /nfs/dbraw/zinc/86/84/31/1317868431.db2.gz VTOIQSNUKFCZGI-CTNGQTDRSA-N 1 0 339.435 3.439 20 10 EGCDRO CCOCc1cc(C[NH2+]CC[C@@H](O)c2ccccc2)ccc1OC ZINC000809747337 1317888731 /nfs/dbraw/zinc/88/87/31/1317888731.db2.gz PCCJKHCQZIKNMU-LJQANCHMSA-N 1 0 329.440 3.445 20 10 EGCDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809768340 1317895448 /nfs/dbraw/zinc/89/54/48/1317895448.db2.gz IOMWNQJRPPFYPZ-IBGZPJMESA-N 1 0 329.440 3.277 20 10 EGCDRO Cc1cc(C[NH2+]Cc2cnc(N(C)C)n2C)c(C)n1-c1ccccc1 ZINC000858294321 1328731298 /nfs/dbraw/zinc/73/12/98/1328731298.db2.gz DXMADBZZVDSORH-UHFFFAOYSA-N 1 0 337.471 3.183 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccc(C(F)(F)F)cc1O ZINC000810213877 1317977601 /nfs/dbraw/zinc/97/76/01/1317977601.db2.gz YOXDVRNNDICUII-BXUZGUMPSA-N 1 0 344.377 3.463 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(C(F)(F)F)cc1O ZINC000810220648 1317979075 /nfs/dbraw/zinc/97/90/75/1317979075.db2.gz BQLWJEDZZISXLW-OCCSQVGLSA-N 1 0 335.391 3.320 20 10 EGCDRO CC[C@H]([NH2+]CCc1ccnn1C)c1ccc(C(F)(F)F)cc1O ZINC000810236262 1317982327 /nfs/dbraw/zinc/98/23/27/1317982327.db2.gz BBRNIHFJWKNZFH-AWEZNQCLSA-N 1 0 327.350 3.428 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C2CCC2)cc1C ZINC000959840458 1318217605 /nfs/dbraw/zinc/21/76/05/1318217605.db2.gz SMKIERSWNOYCSR-SFHVURJKSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2ccc[nH]2)cc1C ZINC000959880046 1318248477 /nfs/dbraw/zinc/24/84/77/1318248477.db2.gz PDEGKUZKFKRXHL-KRWDZBQOSA-N 1 0 341.455 3.116 20 10 EGCDRO COCC[C@@H]1COCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000812299402 1318359925 /nfs/dbraw/zinc/35/99/25/1318359925.db2.gz JLHIUPWEWWXPME-CQSZACIVSA-N 1 0 345.439 3.255 20 10 EGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000812455404 1318396190 /nfs/dbraw/zinc/39/61/90/1318396190.db2.gz JOEJIUUKARMRGP-KRWDZBQOSA-N 1 0 348.535 3.405 20 10 EGCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000814170788 1318687757 /nfs/dbraw/zinc/68/77/57/1318687757.db2.gz CKWMEGOBFLGAMO-IBGZPJMESA-N 1 0 345.826 3.362 20 10 EGCDRO Cc1cc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)ccc1N(C)C ZINC000815070140 1318881450 /nfs/dbraw/zinc/88/14/50/1318881450.db2.gz PKDSUXHABMKKSU-UHFFFAOYSA-N 1 0 339.483 3.084 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000815105937 1318893578 /nfs/dbraw/zinc/89/35/78/1318893578.db2.gz MXBWIWYZDLZSFR-IBGZPJMESA-N 1 0 325.456 3.191 20 10 EGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1COCCO1 ZINC000815561407 1319016583 /nfs/dbraw/zinc/01/65/83/1319016583.db2.gz GGVMIMHISVBEIJ-MJGOQNOKSA-N 1 0 327.424 3.071 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CCC(F)CC3)C2)cc1C ZINC001022655248 1319044494 /nfs/dbraw/zinc/04/44/94/1319044494.db2.gz AEVJGXDSSPBMQY-OWCVQMPJSA-N 1 0 348.462 3.269 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(C)C)C2)cc1C ZINC001022907286 1319157434 /nfs/dbraw/zinc/15/74/34/1319157434.db2.gz PSSPHZVDGCSVFU-MHORFTMASA-N 1 0 330.472 3.033 20 10 EGCDRO CCOC(=O)N1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816533522 1319176859 /nfs/dbraw/zinc/17/68/59/1319176859.db2.gz ZKYWUHYBYWZUBM-UHFFFAOYSA-N 1 0 328.412 3.256 20 10 EGCDRO C[NH+](C)CCN(Cc1ccc2ccccc2c1O)C[C@@H]1CCCO1 ZINC000816610687 1319193754 /nfs/dbraw/zinc/19/37/54/1319193754.db2.gz UNSJVLBFBIUFJG-SFHVURJKSA-N 1 0 328.456 3.088 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1F ZINC000816625285 1319196837 /nfs/dbraw/zinc/19/68/37/1319196837.db2.gz ZPBOUGQDALEURL-UHFFFAOYSA-N 1 0 342.458 3.418 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1ccccc1O)CC2 ZINC000817417302 1319355942 /nfs/dbraw/zinc/35/59/42/1319355942.db2.gz JNFSZPBBRBLINQ-UHFFFAOYSA-N 1 0 332.444 3.368 20 10 EGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000817576455 1319400779 /nfs/dbraw/zinc/40/07/79/1319400779.db2.gz RROVEHIJBXJWTQ-OAHLLOKOSA-N 1 0 336.451 3.100 20 10 EGCDRO COc1cc(C)ccc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937977 1319464825 /nfs/dbraw/zinc/46/48/25/1319464825.db2.gz AVJBJCYIEPTHSZ-HNAYVOBHSA-N 1 0 327.472 3.420 20 10 EGCDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)CCC2 ZINC000817938507 1319466051 /nfs/dbraw/zinc/46/60/51/1319466051.db2.gz LTUUGVUOVJDPOW-RTWAWAEBSA-N 1 0 339.483 3.428 20 10 EGCDRO COC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000817939277 1319466998 /nfs/dbraw/zinc/46/69/98/1319466998.db2.gz AYKCILYNDBYFCA-MOPGFXCFSA-N 1 0 347.890 3.383 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938697 1319467233 /nfs/dbraw/zinc/46/72/33/1319467233.db2.gz QIRLBJVNXZNCHU-AUUYWEPGSA-N 1 0 325.456 3.038 20 10 EGCDRO Cc1c([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000817942554 1319470431 /nfs/dbraw/zinc/47/04/31/1319470431.db2.gz PMYRGEYVVMGTGA-KDOFPFPSSA-N 1 0 342.443 3.320 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817945373 1319471427 /nfs/dbraw/zinc/47/14/27/1319471427.db2.gz AMELVFGPIZEWGY-VHSXEESVSA-N 1 0 347.684 3.458 20 10 EGCDRO CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817958154 1319476981 /nfs/dbraw/zinc/47/69/81/1319476981.db2.gz IKRVQEJFSUVFNB-PELKAZGASA-N 1 0 335.673 3.442 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000817972201 1319482446 /nfs/dbraw/zinc/48/24/46/1319482446.db2.gz VDHABPBGGRXHBW-OPRDCNLKSA-N 1 0 331.229 3.085 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c(C)n1-c1ccccc1C ZINC000818003756 1319489158 /nfs/dbraw/zinc/48/91/58/1319489158.db2.gz DIZQVMDQQFNMNC-IBGZPJMESA-N 1 0 325.456 3.212 20 10 EGCDRO CC(C)n1cncc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000818183331 1319512074 /nfs/dbraw/zinc/51/20/74/1319512074.db2.gz YIZCUQLDBXHKHR-INIZCTEOSA-N 1 0 328.460 3.151 20 10 EGCDRO COC(OC)c1ccc(F)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818191028 1319514858 /nfs/dbraw/zinc/51/48/58/1319514858.db2.gz OBJRRPLDHWNJBU-UHFFFAOYSA-N 1 0 331.387 3.342 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000818221382 1319521600 /nfs/dbraw/zinc/52/16/00/1319521600.db2.gz LSZYJHHKGMIRJH-SJORKVTESA-N 1 0 330.472 3.213 20 10 EGCDRO COCc1cccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000818222420 1319522962 /nfs/dbraw/zinc/52/29/62/1319522962.db2.gz SLDHXXZKCWTIJU-LJQANCHMSA-N 1 0 340.467 3.458 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ncc(Cl)s3)C2)cc1 ZINC000818221804 1319523043 /nfs/dbraw/zinc/52/30/43/1319523043.db2.gz NUJAVHNXJQEFRV-LBPRGKRZSA-N 1 0 337.876 3.421 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(F)c1 ZINC000818964312 1319594255 /nfs/dbraw/zinc/59/42/55/1319594255.db2.gz RATGRLGKUQYCFO-LJQANCHMSA-N 1 0 346.471 3.202 20 10 EGCDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819291582 1319691068 /nfs/dbraw/zinc/69/10/68/1319691068.db2.gz WESILKKJEQBNLP-GOEBONIOSA-N 1 0 340.895 3.063 20 10 EGCDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819291584 1319691622 /nfs/dbraw/zinc/69/16/22/1319691622.db2.gz WESILKKJEQBNLP-ZBFHGGJFSA-N 1 0 340.895 3.063 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000916705640 1319698628 /nfs/dbraw/zinc/69/86/28/1319698628.db2.gz QEGDYKRQCLNTLM-LJQANCHMSA-N 1 0 325.456 3.164 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000819377282 1319713534 /nfs/dbraw/zinc/71/35/34/1319713534.db2.gz OIZJGOJXCKEWHU-MGPUTAFESA-N 1 0 330.447 3.454 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNc3ccc(Cl)nn3)cc2F)CC1 ZINC000819915731 1319801826 /nfs/dbraw/zinc/80/18/26/1319801826.db2.gz MTQNEXMIGBUOBC-UHFFFAOYSA-N 1 0 349.841 3.023 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CC(C)C)C2)cc1C ZINC001023812952 1319956763 /nfs/dbraw/zinc/95/67/63/1319956763.db2.gz IAAALRVNSRKQMJ-GOSISDBHSA-N 1 0 332.488 3.378 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000823671878 1320197024 /nfs/dbraw/zinc/19/70/24/1320197024.db2.gz XBEUYGIMIGZPOR-UHFFFAOYSA-N 1 0 346.496 3.226 20 10 EGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855922 1320291546 /nfs/dbraw/zinc/29/15/46/1320291546.db2.gz SAIHTHCMAALNQU-SWLSCSKDSA-N 1 0 341.293 3.459 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825016544 1320304107 /nfs/dbraw/zinc/30/41/07/1320304107.db2.gz DQTZIOQAMZHFMX-MFKMUULPSA-N 1 0 336.233 3.455 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1C ZINC000825110107 1320311562 /nfs/dbraw/zinc/31/15/62/1320311562.db2.gz BXCLIWRYRLRRQD-JKSUJKDBSA-N 1 0 338.451 3.465 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CCC[C@@H]2CCOC2)c1O ZINC000825134087 1320313917 /nfs/dbraw/zinc/31/39/17/1320313917.db2.gz UTNJJAFYTPROAM-LLVKDONJSA-N 1 0 344.249 3.070 20 10 EGCDRO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000825325126 1320327460 /nfs/dbraw/zinc/32/74/60/1320327460.db2.gz APTWYCSTOSQRHB-CQSZACIVSA-N 1 0 336.229 3.020 20 10 EGCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000825497225 1320342781 /nfs/dbraw/zinc/34/27/81/1320342781.db2.gz DNBKMMOIYDSVLU-RYUDHWBXSA-N 1 0 328.250 3.450 20 10 EGCDRO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000826048171 1320380636 /nfs/dbraw/zinc/38/06/36/1320380636.db2.gz FMRLOXXXFAUILE-ZNMIVQPWSA-N 1 0 340.261 3.280 20 10 EGCDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827007867 1320420751 /nfs/dbraw/zinc/42/07/51/1320420751.db2.gz FGBRXYRTENURTG-IBGZPJMESA-N 1 0 329.488 3.201 20 10 EGCDRO [O-]c1c(Cl)cccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000827011485 1320420926 /nfs/dbraw/zinc/42/09/26/1320420926.db2.gz JNQQDYCMDRWATP-UHFFFAOYSA-N 1 0 345.874 3.442 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000838732357 1320809692 /nfs/dbraw/zinc/80/96/92/1320809692.db2.gz HDUOICXVOLRCRG-UHFFFAOYSA-N 1 0 333.476 3.188 20 10 EGCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(OC)c(C)cc1O)C2 ZINC000840157352 1321040855 /nfs/dbraw/zinc/04/08/55/1321040855.db2.gz YKMCKANEMLBQDN-UHFFFAOYSA-N 1 0 341.407 3.054 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(C)cc1O ZINC000840866864 1321164901 /nfs/dbraw/zinc/16/49/01/1321164901.db2.gz NNSCSHMODXYZEO-INIZCTEOSA-N 1 0 333.453 3.345 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000840890847 1321172060 /nfs/dbraw/zinc/17/20/60/1321172060.db2.gz PALKEUXAXWJVLS-MFKMUULPSA-N 1 0 332.366 3.365 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000840949733 1321184547 /nfs/dbraw/zinc/18/45/47/1321184547.db2.gz AOHMRKDSXAUHSC-INIZCTEOSA-N 1 0 331.504 3.175 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000840950033 1321184602 /nfs/dbraw/zinc/18/46/02/1321184602.db2.gz ITWXWCUVQDLKSN-UHFFFAOYSA-N 1 0 339.483 3.187 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000840951057 1321184638 /nfs/dbraw/zinc/18/46/38/1321184638.db2.gz RCWXELDLCPRADH-YLJYHZDGSA-N 1 0 325.456 3.466 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000840973266 1321191807 /nfs/dbraw/zinc/19/18/07/1321191807.db2.gz HKOCOIQVDLORIZ-GOSISDBHSA-N 1 0 329.488 3.038 20 10 EGCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000840976424 1321192022 /nfs/dbraw/zinc/19/20/22/1321192022.db2.gz WCMRODGKURJZIW-MAUKXSAKSA-N 1 0 349.515 3.162 20 10 EGCDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCc1ccc(N)cc1 ZINC000841034707 1321205476 /nfs/dbraw/zinc/20/54/76/1321205476.db2.gz JTANEVZJEQSWOG-GOSISDBHSA-N 1 0 328.456 3.439 20 10 EGCDRO Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841041573 1321207950 /nfs/dbraw/zinc/20/79/50/1321207950.db2.gz DYGZNLWJUGSIKV-FQEVSTJZSA-N 1 0 349.482 3.241 20 10 EGCDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(OCc2ccccc2)cc1O ZINC000841064561 1321211757 /nfs/dbraw/zinc/21/17/57/1321211757.db2.gz YONRTFOWYAUIFF-KXBFYZLASA-N 1 0 326.440 3.201 20 10 EGCDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841086397 1321215896 /nfs/dbraw/zinc/21/58/96/1321215896.db2.gz AEEFADODQWYIJY-QGZVFWFLSA-N 1 0 334.464 3.048 20 10 EGCDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(OCc2ccccc2)cc1O ZINC000841085520 1321215983 /nfs/dbraw/zinc/21/59/83/1321215983.db2.gz FXZHCRULGODIQU-LJQANCHMSA-N 1 0 326.440 3.201 20 10 EGCDRO CN(C)c1ccc(CN[C@@H](CC[NH3+])C(F)(F)F)c(C(F)(F)F)c1 ZINC000841091620 1321217242 /nfs/dbraw/zinc/21/72/42/1321217242.db2.gz BYXNGNCCQHDWGD-LBPRGKRZSA-N 1 0 343.315 3.141 20 10 EGCDRO C[NH2+]Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000841332862 1321258776 /nfs/dbraw/zinc/25/87/76/1321258776.db2.gz VHLIDSBTECMJAL-UHFFFAOYSA-N 1 0 326.444 3.102 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OCCCF ZINC000841492718 1321279190 /nfs/dbraw/zinc/27/91/90/1321279190.db2.gz AYMLBADUCMRHPO-CQSZACIVSA-N 1 0 344.814 3.096 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Cl)cc1O ZINC000841748221 1321305335 /nfs/dbraw/zinc/30/53/35/1321305335.db2.gz JLMKKZGDFNDRSR-CXAGYDPISA-N 1 0 344.842 3.497 20 10 EGCDRO CN(c1ccc(CNC(=O)NCC[NH2+]C2CC2)cc1)C1CCCCC1 ZINC000841757130 1321307287 /nfs/dbraw/zinc/30/72/87/1321307287.db2.gz DXUILUJXSDWDBF-UHFFFAOYSA-N 1 0 344.503 3.007 20 10 EGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000841755081 1321307298 /nfs/dbraw/zinc/30/72/98/1321307298.db2.gz HADPCSGZVWLXEC-NVXWUHKLSA-N 1 0 338.467 3.374 20 10 EGCDRO CN(C)C(=O)c1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000841828678 1321320324 /nfs/dbraw/zinc/32/03/24/1321320324.db2.gz YNCOIPJXSPQPDY-UHFFFAOYSA-N 1 0 325.456 3.086 20 10 EGCDRO CC[N@H+](Cc1cc(C)nn1C)Cc1cc(Br)ccc1O ZINC000841845529 1321322772 /nfs/dbraw/zinc/32/27/72/1321322772.db2.gz BUUULAKMUBGTQB-UHFFFAOYSA-N 1 0 338.249 3.219 20 10 EGCDRO COc1cc(NCc2cc(F)ccc2O)ccc1OCC[NH+](C)C ZINC000841893448 1321327818 /nfs/dbraw/zinc/32/78/18/1321327818.db2.gz KMYIDEKSVDFPQH-UHFFFAOYSA-N 1 0 334.391 3.092 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841927382 1321330573 /nfs/dbraw/zinc/33/05/73/1321330573.db2.gz KWVZZTVHINQSML-FUHWJXTLSA-N 1 0 346.519 3.061 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(Br)cc1O ZINC000842892300 1321445447 /nfs/dbraw/zinc/44/54/47/1321445447.db2.gz AVOUVWBJDLZMRE-NSHDSACASA-N 1 0 336.229 3.498 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(N2CCNC2=O)cc1 ZINC000842899337 1321447936 /nfs/dbraw/zinc/44/79/36/1321447936.db2.gz DTMANKFVPYDTAS-KBPBESRZSA-N 1 0 325.412 3.334 20 10 EGCDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843044563 1321460748 /nfs/dbraw/zinc/46/07/48/1321460748.db2.gz JGPOVXPTOOMFHY-QGZVFWFLSA-N 1 0 346.475 3.017 20 10 EGCDRO CC[C@@H]1CN(Cc2cc(C)cc(Br)c2O)CC[C@@H]1[NH3+] ZINC000843051952 1321462237 /nfs/dbraw/zinc/46/22/37/1321462237.db2.gz JDXSOUNFYQQZQU-RISCZKNCSA-N 1 0 327.266 3.022 20 10 EGCDRO COc1ccc(O)c(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1 ZINC000843119206 1321473626 /nfs/dbraw/zinc/47/36/26/1321473626.db2.gz RGIGNOUQDHMGCD-QGZVFWFLSA-N 1 0 332.831 3.201 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)Cc2ccccc2)cc1 ZINC000843299270 1321499616 /nfs/dbraw/zinc/49/96/16/1321499616.db2.gz UWOKDEDDTIPCBA-LJQANCHMSA-N 1 0 339.483 3.138 20 10 EGCDRO Cc1ccc(NC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)c(F)c1 ZINC000843349933 1321503456 /nfs/dbraw/zinc/50/34/56/1321503456.db2.gz MYAPHTNJGHCSKR-AWEZNQCLSA-N 1 0 341.430 3.373 20 10 EGCDRO [NH3+]C[C@@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000843348444 1321503675 /nfs/dbraw/zinc/50/36/75/1321503675.db2.gz NUIBOGZJCDNXQL-HNNXBMFYSA-N 1 0 337.427 3.321 20 10 EGCDRO CC(C)N(C(=O)CN1CCCc2cc(C[NH3+])ccc21)c1ccccc1 ZINC000843351028 1321503964 /nfs/dbraw/zinc/50/39/64/1321503964.db2.gz AQZKSGFMNBOQCD-UHFFFAOYSA-N 1 0 337.467 3.340 20 10 EGCDRO CCOc1ccc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c(O)c1 ZINC000843422901 1321516764 /nfs/dbraw/zinc/51/67/64/1321516764.db2.gz YIVZYVHLOPROQV-HXUWFJFHSA-N 1 0 327.424 3.057 20 10 EGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CCC(C)(C)[NH3+] ZINC000843446311 1321519955 /nfs/dbraw/zinc/51/99/55/1321519955.db2.gz CBYGFQXHGGAELI-UHFFFAOYSA-N 1 0 343.265 3.021 20 10 EGCDRO O=C(NCCCCC[NH+]1CCCC1)NCc1cc(Cl)ccc1O ZINC000845222124 1321685041 /nfs/dbraw/zinc/68/50/41/1321685041.db2.gz YNFXMQKZHZJBSA-UHFFFAOYSA-N 1 0 339.867 3.111 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)c(OC)cc2OC)c1 ZINC000845970682 1321760120 /nfs/dbraw/zinc/76/01/20/1321760120.db2.gz BQOASUPLTGWKKR-LLVKDONJSA-N 1 0 335.375 3.408 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000846097218 1321767186 /nfs/dbraw/zinc/76/71/86/1321767186.db2.gz NUQUEZQTYFBWQB-SMDDNHRTSA-N 1 0 344.377 3.320 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c1O ZINC000846142376 1321770570 /nfs/dbraw/zinc/77/05/70/1321770570.db2.gz SGMJXYAPYBEPTA-HNNXBMFYSA-N 1 0 342.439 3.088 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1O ZINC000846141936 1321770856 /nfs/dbraw/zinc/77/08/56/1321770856.db2.gz BXQRVIGWYHVINC-UKRRQHHQSA-N 1 0 333.403 3.042 20 10 EGCDRO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)CC(C)C ZINC000846138728 1321770929 /nfs/dbraw/zinc/77/09/29/1321770929.db2.gz NFWMRSXVBLVTQU-ZIAGYGMSSA-N 1 0 338.448 3.212 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000846143790 1321771210 /nfs/dbraw/zinc/77/12/10/1321771210.db2.gz HJHRATHSDVOGGN-QWRGUYRKSA-N 1 0 327.384 3.395 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1O ZINC000846148055 1321771745 /nfs/dbraw/zinc/77/17/45/1321771745.db2.gz WXVVUEHIZDJWAU-CQSZACIVSA-N 1 0 344.459 3.002 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c1O ZINC000846171469 1321773578 /nfs/dbraw/zinc/77/35/78/1321773578.db2.gz SVUDRCXIXARVHY-KBPBESRZSA-N 1 0 330.403 3.469 20 10 EGCDRO COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2cccc(OC)c2O)s1 ZINC000846171368 1321774019 /nfs/dbraw/zinc/77/40/19/1321774019.db2.gz FZAKGHBNZAUGDJ-VHSXEESVSA-N 1 0 336.413 3.056 20 10 EGCDRO CC[N@H+](CCCNC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000846175137 1321774641 /nfs/dbraw/zinc/77/46/41/1321774641.db2.gz XALOTUQCFOVLET-UHFFFAOYSA-N 1 0 346.519 3.155 20 10 EGCDRO CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)Cc1ccccc1O ZINC000846824316 1321813166 /nfs/dbraw/zinc/81/31/66/1321813166.db2.gz MCTRJWDBIOHKSK-UHFFFAOYSA-N 1 0 340.423 3.446 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847443849 1321871936 /nfs/dbraw/zinc/87/19/36/1321871936.db2.gz FGIOJYUIGIOIAP-ROUUACIJSA-N 1 0 345.487 3.331 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(N2CCCCC2)cc1 ZINC000848562446 1321976880 /nfs/dbraw/zinc/97/68/80/1321976880.db2.gz DJQBJUNASMQVET-WBVHZDCISA-N 1 0 339.487 3.014 20 10 EGCDRO CCc1cccc(C[N@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1O ZINC000848881602 1322026886 /nfs/dbraw/zinc/02/68/86/1322026886.db2.gz YYLDBKXTTJSSCF-MRXNPFEDSA-N 1 0 343.423 3.021 20 10 EGCDRO CCCCCNC(=O)C1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848880428 1322027312 /nfs/dbraw/zinc/02/73/12/1322027312.db2.gz DIYBACISIFYEDP-UHFFFAOYSA-N 1 0 332.488 3.473 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)CC)cc2)c1O ZINC000848900749 1322038556 /nfs/dbraw/zinc/03/85/56/1322038556.db2.gz PXTZTUKPTRDVKA-UHFFFAOYSA-N 1 0 333.453 3.038 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)c1O ZINC000848908225 1322041490 /nfs/dbraw/zinc/04/14/90/1322041490.db2.gz OZHSGZCDFXDUCV-UHFFFAOYSA-N 1 0 339.482 3.100 20 10 EGCDRO CCc1cccc(C[N@H+](CCNC(C)=O)Cc2ccsc2)c1O ZINC000848908967 1322041661 /nfs/dbraw/zinc/04/16/61/1322041661.db2.gz HBVYHGKQIBWIBW-UHFFFAOYSA-N 1 0 332.469 3.154 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c1O ZINC000848925270 1322047025 /nfs/dbraw/zinc/04/70/25/1322047025.db2.gz RGZODZGUTSRVEN-UHFFFAOYSA-N 1 0 327.428 3.096 20 10 EGCDRO COc1cc(Cl)cc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1O ZINC000849351597 1322116514 /nfs/dbraw/zinc/11/65/14/1322116514.db2.gz ANICJIZAVPOEKY-KRWDZBQOSA-N 1 0 348.830 3.327 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849350717 1322117058 /nfs/dbraw/zinc/11/70/58/1322117058.db2.gz SROWJXHOKNQRNX-CYBMUJFWSA-N 1 0 326.843 3.396 20 10 EGCDRO CCCn1nccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850035195 1322186612 /nfs/dbraw/zinc/18/66/12/1322186612.db2.gz XWBGFFCDJWBJAY-UHFFFAOYSA-N 1 0 330.501 3.136 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850073978 1322190282 /nfs/dbraw/zinc/19/02/82/1322190282.db2.gz SGKCZTXIDTVKSK-RBUKOAKNSA-N 1 0 341.451 3.446 20 10 EGCDRO COc1cc(C[NH2+]CCCc2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000850121509 1322194913 /nfs/dbraw/zinc/19/49/13/1322194913.db2.gz UBVACIZJMGOGHP-UHFFFAOYSA-N 1 0 333.432 3.112 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850170616 1322202154 /nfs/dbraw/zinc/20/21/54/1322202154.db2.gz NKVPLWCLBSTXOK-AWEZNQCLSA-N 1 0 348.487 3.187 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c(O)c(C(C)(C)C)c1 ZINC000850187003 1322203607 /nfs/dbraw/zinc/20/36/07/1322203607.db2.gz VXVNFQROEGEUBF-AWEZNQCLSA-N 1 0 329.444 3.069 20 10 EGCDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000850355092 1322232501 /nfs/dbraw/zinc/23/25/01/1322232501.db2.gz FVVYDYREAVSLJD-BOCKYXSRSA-N 1 0 334.529 3.456 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)CC2CC2)ccc1N1CCCCC1 ZINC000850385738 1322237250 /nfs/dbraw/zinc/23/72/50/1322237250.db2.gz AYACZGGMQFSFBF-QGZVFWFLSA-N 1 0 347.459 3.083 20 10 EGCDRO COc1ccc(C)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406186 1322240016 /nfs/dbraw/zinc/24/00/16/1322240016.db2.gz WDHRXWMJNAFBFU-UHFFFAOYSA-N 1 0 340.467 3.255 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)s3)cc2)CC1 ZINC000850405731 1322241099 /nfs/dbraw/zinc/24/10/99/1322241099.db2.gz BDYSNFXIGRMCRG-UHFFFAOYSA-N 1 0 343.496 3.271 20 10 EGCDRO CNC(=O)CC1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCCCC1 ZINC000850560487 1322268279 /nfs/dbraw/zinc/26/82/79/1322268279.db2.gz FKLHGTHCQUMLFW-INIZCTEOSA-N 1 0 331.504 3.490 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(O)c1 ZINC000850566399 1322269728 /nfs/dbraw/zinc/26/97/28/1322269728.db2.gz NEHUXRVXXJJNNX-HNNXBMFYSA-N 1 0 326.440 3.204 20 10 EGCDRO C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850581791 1322273455 /nfs/dbraw/zinc/27/34/55/1322273455.db2.gz GOWTZIFOXHDQMO-ZDUSSCGKSA-N 1 0 333.432 3.073 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc1N1CCCCC1 ZINC000922518860 1322546816 /nfs/dbraw/zinc/54/68/16/1322546816.db2.gz HHZXMSKWNRUSMT-APWZRJJASA-N 1 0 345.443 3.242 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H](C)C3CC3)C2)cc1C ZINC001023918526 1323024851 /nfs/dbraw/zinc/02/48/51/1323024851.db2.gz OIXVTJCEGYOOFY-WMZOPIPTSA-N 1 0 344.499 3.378 20 10 EGCDRO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000924572497 1323057698 /nfs/dbraw/zinc/05/76/98/1323057698.db2.gz CUIAYHVKEZTTJN-XOBRGWDASA-N 1 0 343.446 3.247 20 10 EGCDRO CC[C@H](F)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001024099119 1323130844 /nfs/dbraw/zinc/13/08/44/1323130844.db2.gz OPNAHMNZLPVAKX-SJORKVTESA-N 1 0 336.451 3.080 20 10 EGCDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024820171 1323725665 /nfs/dbraw/zinc/72/56/65/1323725665.db2.gz WICCRUZPWDNZAH-MRXNPFEDSA-N 1 0 345.447 3.233 20 10 EGCDRO CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025632546 1324484684 /nfs/dbraw/zinc/48/46/84/1324484684.db2.gz LVYFKKPUFZFNPZ-DZGCQCFKSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccsc3)C2)cc1C ZINC001026671516 1324966346 /nfs/dbraw/zinc/96/63/46/1324966346.db2.gz VFFKUHSDHJIOBQ-INIZCTEOSA-N 1 0 344.480 3.317 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC34CCC4)C2)cc1C ZINC001027094028 1325219449 /nfs/dbraw/zinc/21/94/49/1325219449.db2.gz HTRIQCMTLDZHCE-ZWKOTPCHSA-N 1 0 342.483 3.132 20 10 EGCDRO Fc1cc(C[N@@H+]2CCCC(F)(F)CC2)ccc1N1CCOCC1 ZINC000862467612 1329488834 /nfs/dbraw/zinc/48/88/34/1329488834.db2.gz ZBLFUHIWYNMTOG-UHFFFAOYSA-N 1 0 328.378 3.284 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000862540705 1329494470 /nfs/dbraw/zinc/49/44/70/1329494470.db2.gz KIMJJHVFRHFHIO-CYBMUJFWSA-N 1 0 338.448 3.136 20 10 EGCDRO O=c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c[nH]1 ZINC000865479083 1329703049 /nfs/dbraw/zinc/70/30/49/1329703049.db2.gz XCUWVXXLXFKNRN-CQSZACIVSA-N 1 0 349.381 3.147 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@]12C[C@H]1CCC2 ZINC000934939834 1330018921 /nfs/dbraw/zinc/01/89/21/1330018921.db2.gz DFOWTBFBRPTFQR-IDHHARJASA-N 1 0 348.874 3.316 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000866435676 1330111956 /nfs/dbraw/zinc/11/19/56/1330111956.db2.gz CTURSHOYAGCMIT-BXKDBHETSA-N 1 0 348.756 3.400 20 10 EGCDRO CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000948075455 1333367033 /nfs/dbraw/zinc/36/70/33/1333367033.db2.gz YWDWNNPYQTUCND-CZUORRHYSA-N 1 0 345.447 3.088 20 10 EGCDRO CCCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684751 1336010014 /nfs/dbraw/zinc/01/00/14/1336010014.db2.gz IFIXUNOFOSSNDW-XJKSGUPXSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)cc1C ZINC001018433221 1339615435 /nfs/dbraw/zinc/61/54/35/1339615435.db2.gz CDPPXQCGUDWZIO-INIZCTEOSA-N 1 0 342.414 3.147 20 10 EGCDRO CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028339782 1340577109 /nfs/dbraw/zinc/57/71/09/1340577109.db2.gz CCFGJVWLFJSZMJ-BBRMVZONSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc(C)o2)cc1C ZINC001034851468 1342803449 /nfs/dbraw/zinc/80/34/49/1342803449.db2.gz OSIQQFXOIJZMHV-QGZVFWFLSA-N 1 0 342.439 3.299 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CC(F)(F)F)cc1C ZINC001034878856 1342818571 /nfs/dbraw/zinc/81/85/71/1342818571.db2.gz QLPDHBPCQUOAOW-CQSZACIVSA-N 1 0 344.377 3.037 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccoc3)[C@@H](C)C2)cc1C ZINC001044467363 1346341205 /nfs/dbraw/zinc/34/12/05/1346341205.db2.gz QDQXWKBHDSFCRZ-YJBOKZPZSA-N 1 0 342.439 3.380 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)cc1C ZINC001044917624 1346462318 /nfs/dbraw/zinc/46/23/18/1346462318.db2.gz QREGOGBDYDWLFS-MJGOQNOKSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CCC2CC2)cc1C ZINC001044964632 1346470922 /nfs/dbraw/zinc/47/09/22/1346470922.db2.gz CSSNEUYAUCXLMM-SFHVURJKSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CCC3CC3)C[C@@H]2C)cc1C ZINC001048185568 1347488123 /nfs/dbraw/zinc/48/81/23/1347488123.db2.gz VELFAXXNPRWYTM-LPHOPBHVSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C=C3CCC3)C[C@@H]2C)cc1C ZINC001048207114 1347494572 /nfs/dbraw/zinc/49/45/72/1347494572.db2.gz AUYLUIISEHNKBA-QFBILLFUSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@H]2C)cc1C ZINC001082777023 1358090332 /nfs/dbraw/zinc/09/03/32/1358090332.db2.gz CPVLDCFTEOAKCJ-SOLBZPMBSA-N 1 0 332.488 3.232 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccco2)cc1C ZINC001085119878 1358398691 /nfs/dbraw/zinc/39/86/91/1358398691.db2.gz IXINUXNWAQGYOZ-IAGOWNOFSA-N 1 0 342.439 3.427 20 10 EGCDRO CCC(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100627134 1364195318 /nfs/dbraw/zinc/19/53/18/1364195318.db2.gz VTQNMEFGIAVHAQ-UHFFFAOYSA-N 1 0 332.488 3.424 20 10 EGCDRO CCCCCCNC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001191999428 1367661539 /nfs/dbraw/zinc/66/15/39/1367661539.db2.gz CIHNVLDDAVMKHN-UHFFFAOYSA-N 1 0 333.476 3.236 20 10 EGCDRO CCCCCCNC(=S)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001200961314 1369458009 /nfs/dbraw/zinc/45/80/09/1369458009.db2.gz SYZSMPYWZXANOO-UHFFFAOYSA-N 1 0 349.544 3.401 20 10 EGCDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3ccccc3O)C2)C1 ZINC001203550562 1370165746 /nfs/dbraw/zinc/16/57/46/1370165746.db2.gz ZTHWTNFBSZWQOC-UHFFFAOYSA-N 1 0 332.444 3.225 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1O ZINC001203602242 1370184153 /nfs/dbraw/zinc/18/41/53/1370184153.db2.gz KZMCWERJDYUCMS-CQSZACIVSA-N 1 0 337.416 3.317 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3OC)C2)c(O)c1 ZINC001203630979 1370193850 /nfs/dbraw/zinc/19/38/50/1370193850.db2.gz YILRJHNXVXFDSC-KRWDZBQOSA-N 1 0 343.423 3.453 20 10 EGCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001203631078 1370194154 /nfs/dbraw/zinc/19/41/54/1370194154.db2.gz ZCTFRDKQDJUEHR-QGZVFWFLSA-N 1 0 349.471 3.056 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001203634518 1370195074 /nfs/dbraw/zinc/19/50/74/1370195074.db2.gz JYTSHEHOJQMQJT-XLIONFOSSA-N 1 0 338.451 3.107 20 10 EGCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@H]21 ZINC001203659698 1370206022 /nfs/dbraw/zinc/20/60/22/1370206022.db2.gz YGQHRZPTCWXBNG-CZUORRHYSA-N 1 0 336.863 3.124 20 10 EGCDRO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1cc(OC)ccc1O ZINC001203680347 1370216180 /nfs/dbraw/zinc/21/61/80/1370216180.db2.gz QMEBDVPMAPQZIK-OAHLLOKOSA-N 1 0 345.439 3.447 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001203931711 1370319178 /nfs/dbraw/zinc/31/91/78/1370319178.db2.gz UESBREDDPPNVEL-FUHWJXTLSA-N 1 0 345.487 3.194 20 10 EGCDRO CN(C)c1ccc(CN2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001203931032 1370319826 /nfs/dbraw/zinc/31/98/26/1370319826.db2.gz LQEIEXUPPZVTHG-ROUUACIJSA-N 1 0 345.487 3.336 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC)C3=O)C2)cc1 ZINC001203938328 1370322522 /nfs/dbraw/zinc/32/25/22/1370322522.db2.gz ACDARKUEEBRGSK-OAQYLSRUSA-N 1 0 343.515 3.367 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1 ZINC001203936346 1370322629 /nfs/dbraw/zinc/32/26/29/1370322629.db2.gz MHADRCMJYQKTJK-PMACEKPBSA-N 1 0 338.451 3.141 20 10 EGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2O)cc1OC ZINC001204274471 1370429041 /nfs/dbraw/zinc/42/90/41/1370429041.db2.gz BTECDGZZDLAUNE-INIZCTEOSA-N 1 0 329.396 3.452 20 10 EGCDRO Oc1ccc(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c(O)c1 ZINC001204274613 1370429052 /nfs/dbraw/zinc/42/90/52/1370429052.db2.gz QPRZNAOCRPFSGT-UHFFFAOYSA-N 1 0 347.418 3.156 20 10 EGCDRO Oc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c(O)c1 ZINC001204275327 1370429119 /nfs/dbraw/zinc/42/91/19/1370429119.db2.gz OPWYFGSAYOAKGK-UHFFFAOYSA-N 1 0 332.831 3.069 20 10 EGCDRO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204324135 1370443908 /nfs/dbraw/zinc/44/39/08/1370443908.db2.gz ZAOANTUJCJQWEL-JOCHJYFZSA-N 1 0 347.462 3.383 20 10 EGCDRO COc1cc(C[NH+]2CCC3(Cc4ccccc4O3)CC2)cc(O)c1O ZINC001204346327 1370449660 /nfs/dbraw/zinc/44/96/60/1370449660.db2.gz NAPKKDRJNHWAMQ-UHFFFAOYSA-N 1 0 341.407 3.076 20 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1376426552 /nfs/dbraw/zinc/42/65/52/1376426552.db2.gz ZMSAAZKXFGAUBV-CYBMUJFWSA-N 1 0 349.814 3.413 20 10 EGCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269382 1376426794 /nfs/dbraw/zinc/42/67/94/1376426794.db2.gz XVHRUTLFRCADEH-LBPRGKRZSA-N 1 0 341.835 3.219 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC001233286644 1376604661 /nfs/dbraw/zinc/60/46/61/1376604661.db2.gz CVDPBNBULKZQRH-UHFFFAOYSA-N 1 0 330.472 3.277 20 10 EGCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001233285224 1376605159 /nfs/dbraw/zinc/60/51/59/1376605159.db2.gz XYOPEWATPVSJRS-FQEVSTJZSA-N 1 0 330.472 3.277 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2ccsn2)cc1C ZINC001134708450 1376672331 /nfs/dbraw/zinc/67/23/31/1376672331.db2.gz ZLBVLZSQIYRMID-KBPBESRZSA-N 1 0 347.484 3.147 20 10 EGCDRO CCC[N@H+]1C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3O)C[C@H]2C1 ZINC001233776427 1376715264 /nfs/dbraw/zinc/71/52/64/1376715264.db2.gz SAFBGAZWYSJXBB-OKILXGFUSA-N 1 0 344.377 3.064 20 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SEUFWPHEEGCGBB-UHFFFAOYSA-N 1 0 329.444 3.187 20 10 EGCDRO COC1(C)CC[NH+](Cc2cc(Br)c(C)cc2O)CC1 ZINC001237676454 1376982869 /nfs/dbraw/zinc/98/28/69/1376982869.db2.gz IGHGRDCFWVBZPQ-UHFFFAOYSA-N 1 0 328.250 3.464 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c(C)n1-c1ccccc1 ZINC001137855812 1377632114 /nfs/dbraw/zinc/63/21/14/1377632114.db2.gz GMFCGKKIKWCVRV-OAQYLSRUSA-N 1 0 337.467 3.196 20 10 EGCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137858051 1377632509 /nfs/dbraw/zinc/63/25/09/1377632509.db2.gz UUTBHYPEMAUPTH-LJQANCHMSA-N 1 0 325.456 3.195 20 10 EGCDRO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)O1 ZINC001138220878 1377690831 /nfs/dbraw/zinc/69/08/31/1377690831.db2.gz RJHSTRIMZGXMIB-FQEVSTJZSA-N 1 0 328.456 3.349 20 10 EGCDRO Cc1c(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c2ccccc2n1C ZINC001138259115 1377694898 /nfs/dbraw/zinc/69/48/98/1377694898.db2.gz BPEUHEABAOSOJX-MRXNPFEDSA-N 1 0 336.439 3.238 20 10 EGCDRO CO[C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)[C@@H](C)C1 ZINC001138341233 1377705386 /nfs/dbraw/zinc/70/53/86/1377705386.db2.gz KKQQXMGODDDXSF-WMLDXEAASA-N 1 0 330.472 3.090 20 10 EGCDRO COC1(C)CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337905 1377705403 /nfs/dbraw/zinc/70/54/03/1377705403.db2.gz GGIMGRWHOZHTSF-UHFFFAOYSA-N 1 0 330.472 3.092 20 10 EGCDRO C[C@@H]1c2cccn2CC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138340280 1377705600 /nfs/dbraw/zinc/70/56/00/1377705600.db2.gz SBVYDXYCALNKMU-OAHLLOKOSA-N 1 0 337.467 3.469 20 10 EGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2OC)C1 ZINC001138389278 1377714262 /nfs/dbraw/zinc/71/42/62/1377714262.db2.gz IBQVMZLFRFTQTG-QGZVFWFLSA-N 1 0 348.487 3.317 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC)C2)c(OC)c1 ZINC001138390190 1377714587 /nfs/dbraw/zinc/71/45/87/1377714587.db2.gz OXAFSVZDWCHEKN-RDJZCZTQSA-N 1 0 348.487 3.172 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC001138494440 1377733387 /nfs/dbraw/zinc/73/33/87/1377733387.db2.gz VAASRBDHFSZEJY-UHFFFAOYSA-N 1 0 345.512 3.283 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3cnc4[nH]ccc4c3)CC2)cc1 ZINC001138740419 1377777389 /nfs/dbraw/zinc/77/73/89/1377777389.db2.gz VZBPZPXEFQSHAP-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO CCC(=O)Oc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001138965637 1377810395 /nfs/dbraw/zinc/81/03/95/1377810395.db2.gz YIQQIBDLCISGJM-UHFFFAOYSA-N 1 0 341.407 3.362 20 10 EGCDRO COc1cc(C[N@@H+]2CCCc3ccccc3C2)cc(C[NH+](C)C)c1O ZINC001139258877 1377858510 /nfs/dbraw/zinc/85/85/10/1377858510.db2.gz YWYWJDNWFLHJID-UHFFFAOYSA-N 1 0 340.467 3.411 20 10 EGCDRO Cc1cc(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)ccc1N(C)C ZINC001139671125 1377930966 /nfs/dbraw/zinc/93/09/66/1377930966.db2.gz SBKLPOAJYIHPIN-MSOLQXFVSA-N 1 0 335.451 3.229 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)ccc1N(C)C ZINC001139672273 1377930984 /nfs/dbraw/zinc/93/09/84/1377930984.db2.gz UXLZQKBVGUWKGJ-PZJWPPBQSA-N 1 0 344.499 3.221 20 10 EGCDRO Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674241 1377931559 /nfs/dbraw/zinc/93/15/59/1377931559.db2.gz QTJYQTFNIYBZBQ-SFHVURJKSA-N 1 0 325.456 3.418 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)ccc1N(C)C ZINC001139673334 1377931686 /nfs/dbraw/zinc/93/16/86/1377931686.db2.gz ADDOWJHQDRCMBF-IBGZPJMESA-N 1 0 349.478 3.291 20 10 EGCDRO Cc1cc(O)cc(C)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001139713358 1377939678 /nfs/dbraw/zinc/93/96/78/1377939678.db2.gz DXGSOLRHTIWMHX-UHFFFAOYSA-N 1 0 340.467 3.478 20 10 EGCDRO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1cc(F)ccc1O)C2 ZINC001140055394 1377996735 /nfs/dbraw/zinc/99/67/35/1377996735.db2.gz UZMOEBNMXNQUAQ-UHFFFAOYSA-N 1 0 336.407 3.020 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)c1O ZINC001140180581 1378026984 /nfs/dbraw/zinc/02/69/84/1378026984.db2.gz JBSNWRYOBBRNFJ-UHFFFAOYSA-N 1 0 345.487 3.121 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c1O ZINC001140181454 1378027044 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COc1ccc(O[C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC001140342450 1378050256 /nfs/dbraw/zinc/05/02/56/1378050256.db2.gz JKPZMIHIAFINPZ-AWEZNQCLSA-N 1 0 348.830 3.493 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001140343978 1378050926 /nfs/dbraw/zinc/05/09/26/1378050926.db2.gz BNEABUOGDUUPAL-KDOFPFPSSA-N 1 0 337.847 3.206 20 10 EGCDRO Oc1cc(Cl)ccc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140467505 1378068980 /nfs/dbraw/zinc/06/89/80/1378068980.db2.gz RTUMPGKSWFBWEK-IYBDPMFKSA-N 1 0 343.858 3.004 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)C[C@@H]1c1ccccc1 ZINC001140585315 1378090574 /nfs/dbraw/zinc/09/05/74/1378090574.db2.gz FDVUVOZYLBZWQD-HUUCEWRRSA-N 1 0 347.361 3.059 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001140619536 1378099553 /nfs/dbraw/zinc/09/95/53/1378099553.db2.gz GUSBYQVBOPBIGQ-HOTGVXAUSA-N 1 0 332.444 3.284 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC001140660250 1378108360 /nfs/dbraw/zinc/10/83/60/1378108360.db2.gz LSBNCJOUJNQBET-UHFFFAOYSA-N 1 0 346.368 3.437 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CC(c2ccccc2)C1 ZINC001140663718 1378109410 /nfs/dbraw/zinc/10/94/10/1378109410.db2.gz NCJOXJJUXKLBPV-UHFFFAOYSA-N 1 0 326.415 3.262 20 10 EGCDRO CN(Cc1ccc(Cl)nc1)Cc1ccc(N2CCOCC2)cc1F ZINC001140664083 1378110202 /nfs/dbraw/zinc/11/02/02/1378110202.db2.gz XYAHMHQBEJXKDH-UHFFFAOYSA-N 1 0 349.837 3.343 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC001140678128 1378112978 /nfs/dbraw/zinc/11/29/78/1378112978.db2.gz QRKCAMPPIKAOCX-UHFFFAOYSA-N 1 0 340.467 3.472 20 10 EGCDRO CC(C)[NH+]1CCC2(CCC(=O)N(Cc3ccc(N(C)C)cc3)C2)CC1 ZINC001273924814 1378113171 /nfs/dbraw/zinc/11/31/71/1378113171.db2.gz NEPKQEFPRCBJKC-UHFFFAOYSA-N 1 0 343.515 3.366 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)c1O ZINC001140745579 1378128360 /nfs/dbraw/zinc/12/83/60/1378128360.db2.gz KZVNCUAZUNWLRC-UHFFFAOYSA-N 1 0 339.391 3.068 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[NH+](C3CCCC3)CC2)c(O)c1 ZINC001140855015 1378158374 /nfs/dbraw/zinc/15/83/74/1378158374.db2.gz KBYQHFVHNHHJPG-UHFFFAOYSA-N 1 0 331.504 3.299 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(Cl)c1 ZINC001140924594 1378182350 /nfs/dbraw/zinc/18/23/50/1378182350.db2.gz REFLQZAGWDWALQ-KRWDZBQOSA-N 1 0 331.847 3.454 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140948006 1378188562 /nfs/dbraw/zinc/18/85/62/1378188562.db2.gz PALUGSMORFKULD-HZPDHXFCSA-N 1 0 332.444 3.284 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c(O)c1 ZINC001140949664 1378189785 /nfs/dbraw/zinc/18/97/85/1378189785.db2.gz HNBZIUUPYDBBSC-WBVHZDCISA-N 1 0 340.423 3.030 20 10 EGCDRO CO[C@@H](CN1CC[NH+](Cc2ccc(C)cc2O)CC1)c1ccccc1 ZINC001140957488 1378192917 /nfs/dbraw/zinc/19/29/17/1378192917.db2.gz BFFYUGOHFPSIFD-NRFANRHFSA-N 1 0 340.467 3.206 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c(OC)c1 ZINC001141031574 1378214408 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COc1cc(C)cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001143157251 1378549259 /nfs/dbraw/zinc/54/92/59/1378549259.db2.gz JQFVYBJEQOJTON-UHFFFAOYSA-N 1 0 340.467 3.472 20 10 EGCDRO COc1ccc([C@H]2CSCC[N@@H+]2Cc2c(O)cc(O)cc2O)cc1 ZINC001144509176 1378738933 /nfs/dbraw/zinc/73/89/33/1378738933.db2.gz NUKSQKNFCLWIBJ-MRXNPFEDSA-N 1 0 347.436 3.102 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc1C ZINC001152763256 1379979283 /nfs/dbraw/zinc/97/92/83/1379979283.db2.gz PFPKAWTYPAIVMX-HWWDLCQESA-N 1 0 332.488 3.282 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccoc2C(C)C)cc1C ZINC001153037227 1380012268 /nfs/dbraw/zinc/01/22/68/1380012268.db2.gz HREDPONWTJGKHU-UHFFFAOYSA-N 1 0 330.428 3.240 20 10 EGCDRO CCCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)n1 ZINC001156657252 1380606002 /nfs/dbraw/zinc/60/60/02/1380606002.db2.gz JRSMSFFFVPXGGC-UHFFFAOYSA-N 1 0 339.487 3.101 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C ZINC001158436544 1381245346 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EGCDRO Cc1ccc(C)n1-c1ccc(-n2nnc(-c3cccc(C[NH3+])c3)n2)cc1 ZINC001168884812 1384047368 /nfs/dbraw/zinc/04/73/68/1384047368.db2.gz PSTCFIYXRZNQNQ-UHFFFAOYSA-N 1 0 344.422 3.196 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC23CCCC3)cc1C ZINC001170246545 1384275510 /nfs/dbraw/zinc/27/55/10/1384275510.db2.gz XAFNEBBDIVZNDG-KRWDZBQOSA-N 1 0 330.472 3.180 20 10 EGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC001170313331 1384288604 /nfs/dbraw/zinc/28/86/04/1384288604.db2.gz LLAHOTGCJSRQAP-AWEZNQCLSA-N 1 0 343.427 3.390 20 10 EGCDRO O=C(CNc1ccc(F)c(C[NH+]2CCCC2)c1)c1ccc(O)c(O)c1 ZINC001170320808 1384290720 /nfs/dbraw/zinc/29/07/20/1384290720.db2.gz OWIUMDWOBCMGLF-UHFFFAOYSA-N 1 0 344.386 3.128 20 10 EGCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCc3c(Cl)cccc3C2)cc1O ZINC001171017600 1384430575 /nfs/dbraw/zinc/43/05/75/1384430575.db2.gz JLYZHKXFFRPHDE-CYBMUJFWSA-N 1 0 333.815 3.146 20 10 EGCDRO C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC001329025094 1388933872 /nfs/dbraw/zinc/93/38/72/1388933872.db2.gz XSAKIEBRLTVNPT-DTWKUNHWSA-N 1 0 335.673 3.314 20 10 EGCDRO COC(=O)N1CCC([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1 ZINC001172737084 1384841210 /nfs/dbraw/zinc/84/12/10/1384841210.db2.gz YFUUVVLUBBWABC-GOSISDBHSA-N 1 0 346.471 3.453 20 10 EGCDRO Cc1cc(Nc2ccc(I)cc2O)cc(C)[nH+]1 ZINC001176060947 1385475241 /nfs/dbraw/zinc/47/52/41/1385475241.db2.gz XUHLTKKJPHSIJQ-UHFFFAOYSA-N 1 0 340.164 3.174 20 10 EGCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)c2cc[nH]c2)cc1C ZINC001178550895 1386246633 /nfs/dbraw/zinc/24/66/33/1386246633.db2.gz DACLWYVDWGRUSY-UHFFFAOYSA-N 1 0 343.471 3.412 20 10 EGCDRO CC(C)c1ocnc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001319744067 1386277854 /nfs/dbraw/zinc/27/78/54/1386277854.db2.gz OIJDWTSHDOWPAX-UHFFFAOYSA-N 1 0 329.444 3.267 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)CC(C)(C)CN1CCOCC1 ZINC001319828268 1386321637 /nfs/dbraw/zinc/32/16/37/1386321637.db2.gz GSNCRQWYDZLJRT-UHFFFAOYSA-N 1 0 345.531 3.077 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC001320118857 1386524995 /nfs/dbraw/zinc/52/49/95/1386524995.db2.gz SFAXSHFEYJYXMQ-NVXWUHKLSA-N 1 0 338.451 3.497 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)CN(C)Cc2ccccc2)cc1 ZINC001320388142 1386596764 /nfs/dbraw/zinc/59/67/64/1386596764.db2.gz UGTCOOWSEMBENZ-UHFFFAOYSA-N 1 0 339.483 3.281 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001321027050 1386787247 /nfs/dbraw/zinc/78/72/47/1386787247.db2.gz IKOCFOQFSSQWDI-GRYCIOLGSA-N 1 0 342.361 3.002 20 10 EGCDRO COc1cccc(N2CC[NH+](Cc3c(C)cc(OC)cc3O)CC2)c1 ZINC001180523319 1386824844 /nfs/dbraw/zinc/82/48/44/1386824844.db2.gz SKKIFTBZNNZGKG-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO COc1cc(C)c(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC001180558109 1386834758 /nfs/dbraw/zinc/83/47/58/1386834758.db2.gz JTCRLPZLOACFIC-GOSISDBHSA-N 1 0 340.467 3.416 20 10 EGCDRO CCn1c(C2SC=CC2=O)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001339247120 1389958699 /nfs/dbraw/zinc/95/86/99/1389958699.db2.gz LWEUBOOEPORAQI-UHFFFAOYSA-N 1 0 349.504 3.043 20 10 EGCDRO COc1ccc(C[NH2+]CCOc2ccc3c(c2)CCC3)c(O)c1OC ZINC001334936721 1390623478 /nfs/dbraw/zinc/62/34/78/1390623478.db2.gz QQUQYPMGQNQEFO-UHFFFAOYSA-N 1 0 343.423 3.067 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccc(C)nc2)cc1C ZINC001714459957 1419191684 /nfs/dbraw/zinc/19/16/84/1419191684.db2.gz UOPJVPJPSJQFFR-INIZCTEOSA-N 1 0 341.455 3.005 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)C(F)F)C2)cc1C ZINC001752664495 1440198541 /nfs/dbraw/zinc/19/85/41/1440198541.db2.gz VCVWOSDONVCBHT-HDJSIYSDSA-N 1 0 340.414 3.032 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC=CCC2)cc1C ZINC001753003687 1440265270 /nfs/dbraw/zinc/26/52/70/1440265270.db2.gz ZHGLWUGYSVKJKE-AEFFLSMTSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001753552356 1440435214 /nfs/dbraw/zinc/43/52/14/1440435214.db2.gz DMWOWHNFJOTOSC-WDYCEAGBSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccccc2)cc1C ZINC001753613630 1440449363 /nfs/dbraw/zinc/44/93/63/1440449363.db2.gz KBNVUTRBECRREV-HNNXBMFYSA-N 1 0 326.440 3.159 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cc(C)oc2C)cc1C ZINC001753695068 1440467267 /nfs/dbraw/zinc/46/72/67/1440467267.db2.gz YXIVIMLMFAMSFT-AWEZNQCLSA-N 1 0 344.455 3.464 20 10 EGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](C)C2CC2)C(C)C)cc1C ZINC001753827952 1440498953 /nfs/dbraw/zinc/49/89/53/1440498953.db2.gz ZPNIVUJOCWIONK-MAUKXSAKSA-N 1 0 332.488 3.280 20 10 EGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccccc2F)cc1C ZINC001754354608 1440591349 /nfs/dbraw/zinc/59/13/49/1440591349.db2.gz KJYMVWFWGXJYCS-UHFFFAOYSA-N 1 0 344.430 3.395 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(C(F)F)CC2)cc1C ZINC001755254563 1440792849 /nfs/dbraw/zinc/79/28/49/1440792849.db2.gz RRRNZVOXSHECTR-STQMWFEESA-N 1 0 340.414 3.032 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(C(F)F)CC2)cc1C ZINC001755254561 1440792868 /nfs/dbraw/zinc/79/28/68/1440792868.db2.gz RRRNZVOXSHECTR-OLZOCXBDSA-N 1 0 340.414 3.032 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001755583410 1440879859 /nfs/dbraw/zinc/87/98/59/1440879859.db2.gz GDLFVYWFEJRPFQ-LBKNJMOBSA-N 1 0 344.499 3.376 20 10 EGCDRO CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001596194893 983577878 /nfs/dbraw/zinc/57/78/78/983577878.db2.gz WIRRLEIMQYGWTI-CQSZACIVSA-N 1 0 342.439 3.393 20 10 EGCDRO CCc1cccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)c1O ZINC000877830672 1126123203 /nfs/dbraw/zinc/12/32/03/1126123203.db2.gz KKFIISZGKWIZDW-FQEVSTJZSA-N 1 0 329.440 3.047 20 10 EGCDRO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@@H]1CCOC1 ZINC000183114777 455232362 /nfs/dbraw/zinc/23/23/62/455232362.db2.gz JIVZXRUVDPJMGR-KRWDZBQOSA-N 1 0 327.424 3.440 20 10 EGCDRO CC(C)(C)C(=O)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000075582599 453907642 /nfs/dbraw/zinc/90/76/42/453907642.db2.gz NYCHDPSJFBKMKU-UHFFFAOYSA-N 1 0 326.440 3.236 20 10 EGCDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC000054510150 453932574 /nfs/dbraw/zinc/93/25/74/453932574.db2.gz UDKNBGDTDHIBRI-GOSISDBHSA-N 1 0 346.519 3.016 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000043862438 454081406 /nfs/dbraw/zinc/08/14/06/454081406.db2.gz NKTMNYQWVHDKQL-QGZVFWFLSA-N 1 0 346.519 3.206 20 10 EGCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NCc1ccco1 ZINC000069659637 454129843 /nfs/dbraw/zinc/12/98/43/454129843.db2.gz XEQIMFCHXAAAFD-UHFFFAOYSA-N 1 0 328.412 3.046 20 10 EGCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000120023783 454248842 /nfs/dbraw/zinc/24/88/42/454248842.db2.gz ZNWRCXGODNYKDA-LBPRGKRZSA-N 1 0 348.830 3.021 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000090055256 454267647 /nfs/dbraw/zinc/26/76/47/454267647.db2.gz YNZRSBGLEJIAHB-JXFKEZNVSA-N 1 0 332.488 3.115 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)CCOCc2ccccc2)cc1OC ZINC000160391355 455453576 /nfs/dbraw/zinc/45/35/76/455453576.db2.gz UBNZTYHYRZNNSS-UHFFFAOYSA-N 1 0 331.412 3.058 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)CCC)C2)c(O)c1 ZINC000092707876 454615867 /nfs/dbraw/zinc/61/58/67/454615867.db2.gz NZMQGKZHPLVRAU-INIZCTEOSA-N 1 0 348.487 3.309 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)N(C)C)c1 ZINC000176980354 454807137 /nfs/dbraw/zinc/80/71/37/454807137.db2.gz ZCGULYVWPAOIKV-SCLBCKFNSA-N 1 0 332.419 3.493 20 10 EGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111234986 454858803 /nfs/dbraw/zinc/85/88/03/454858803.db2.gz DLPRJIKUSVITEF-INIZCTEOSA-N 1 0 330.815 3.283 20 10 EGCDRO CN1CCCc2cc(C[NH2+]C3CCN(c4ccccn4)CC3)ccc21 ZINC000126661664 454909922 /nfs/dbraw/zinc/90/99/22/454909922.db2.gz DRGPHULFQJBGGC-UHFFFAOYSA-N 1 0 336.483 3.223 20 10 EGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)c(OC)c1OC ZINC000113324268 454923400 /nfs/dbraw/zinc/92/34/00/454923400.db2.gz RZTBXJYLTHLIFA-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cncs1 ZINC000151571136 455002836 /nfs/dbraw/zinc/00/28/36/455002836.db2.gz CQSQKCLDYFIIKT-AWEZNQCLSA-N 1 0 331.485 3.203 20 10 EGCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCC1 ZINC000151671092 455015326 /nfs/dbraw/zinc/01/53/26/455015326.db2.gz FXNDVTXWJJXLBU-SJLPKXTDSA-N 1 0 349.494 3.187 20 10 EGCDRO CC[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1O ZINC000155593380 455020307 /nfs/dbraw/zinc/02/03/07/455020307.db2.gz ZJGGGCQDLPAYNF-MRXNPFEDSA-N 1 0 328.460 3.384 20 10 EGCDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3O)CC2)nc1 ZINC000179729548 455070692 /nfs/dbraw/zinc/07/06/92/455070692.db2.gz HWMJPRVHAAKLDJ-UHFFFAOYSA-N 1 0 339.439 3.255 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cccc(OC)c2OC(F)F)c1O ZINC000264834462 455289836 /nfs/dbraw/zinc/28/98/36/455289836.db2.gz HAGIQQNIHDRZLT-UHFFFAOYSA-N 1 0 339.338 3.301 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000183331685 455278497 /nfs/dbraw/zinc/27/84/97/455278497.db2.gz ZOGJTFOXGRGVSR-JKSUJKDBSA-N 1 0 328.387 3.378 20 10 EGCDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000174117798 455361398 /nfs/dbraw/zinc/36/13/98/455361398.db2.gz YELJTTCTRLFXTH-KRWDZBQOSA-N 1 0 340.471 3.045 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1OC ZINC000184813731 455452622 /nfs/dbraw/zinc/45/26/22/455452622.db2.gz RAVXBPJBOYAIEE-FQEVSTJZSA-N 1 0 341.407 3.041 20 10 EGCDRO COc1ccc(COCC[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182346721 455493986 /nfs/dbraw/zinc/49/39/86/455493986.db2.gz PTDONWWUGVQMNN-AWEZNQCLSA-N 1 0 331.412 3.277 20 10 EGCDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185186573 455517573 /nfs/dbraw/zinc/51/75/73/455517573.db2.gz NQPNCCRXZHZKFS-ZDUSSCGKSA-N 1 0 331.412 3.311 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c1O ZINC000192027374 455544120 /nfs/dbraw/zinc/54/41/20/455544120.db2.gz PCKXPAJXASWHJF-HXUWFJFHSA-N 1 0 340.467 3.081 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)c1 ZINC000182647055 455560114 /nfs/dbraw/zinc/56/01/14/455560114.db2.gz IAKWIIVXJVJNTR-UHFFFAOYSA-N 1 0 338.411 3.006 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)cc1 ZINC000192520102 455635367 /nfs/dbraw/zinc/63/53/67/455635367.db2.gz NVTBJLGXKSJAIF-HXUWFJFHSA-N 1 0 325.456 3.023 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000186049512 455684557 /nfs/dbraw/zinc/68/45/57/455684557.db2.gz QUEIYVLQPXNIPJ-AWEZNQCLSA-N 1 0 329.396 3.103 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(Cl)ccc1O ZINC000186307329 455739597 /nfs/dbraw/zinc/73/95/97/455739597.db2.gz LUPXINBOWAZVLM-ZDUSSCGKSA-N 1 0 332.831 3.055 20 10 EGCDRO CC[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000271753210 455746479 /nfs/dbraw/zinc/74/64/79/455746479.db2.gz XZKSWZOWNLHSON-KRWDZBQOSA-N 1 0 338.407 3.119 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c(O)c1 ZINC000285011388 455777254 /nfs/dbraw/zinc/77/72/54/455777254.db2.gz HCULTHWMIVNROZ-CQSZACIVSA-N 1 0 330.403 3.229 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293753850 455795913 /nfs/dbraw/zinc/79/59/13/455795913.db2.gz XAMGCUDZZADTEY-UHFFFAOYSA-N 1 0 330.472 3.406 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H]3CCSC3)cc2F)C[C@H](C)O1 ZINC000278299389 455810359 /nfs/dbraw/zinc/81/03/59/455810359.db2.gz CMBTZGHYYOUERP-IJEWVQPXSA-N 1 0 338.492 3.282 20 10 EGCDRO COc1ccncc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000294398291 455814649 /nfs/dbraw/zinc/81/46/49/455814649.db2.gz SIRNMYTXIUOISR-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCNC(=O)C2CC2)cc1 ZINC000294685501 455824035 /nfs/dbraw/zinc/82/40/35/455824035.db2.gz FOVYOPYJQBLEBB-UHFFFAOYSA-N 1 0 343.496 3.000 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772714 455827348 /nfs/dbraw/zinc/82/73/48/455827348.db2.gz KGYBOFVXKSYBKC-KGLIPLIRSA-N 1 0 334.460 3.075 20 10 EGCDRO COC[C@H](O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294789931 455827570 /nfs/dbraw/zinc/82/75/70/455827570.db2.gz OFLDTFORBRXWNC-IEBWSBKVSA-N 1 0 329.440 3.053 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c(O)c1C ZINC000278441222 455836759 /nfs/dbraw/zinc/83/67/59/455836759.db2.gz KIZBWZTTYQBYAG-JKSUJKDBSA-N 1 0 328.460 3.062 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278650096 455842892 /nfs/dbraw/zinc/84/28/92/455842892.db2.gz JTCXKWGYWOMJDL-UHFFFAOYSA-N 1 0 345.487 3.188 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000278830494 455850398 /nfs/dbraw/zinc/85/03/98/455850398.db2.gz OUZZQAUMFCSBNP-KHYOSLBOSA-N 1 0 336.451 3.007 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1O ZINC000279271965 455861699 /nfs/dbraw/zinc/86/16/99/455861699.db2.gz NLEJLZGMUSKBSG-ZTFGCOKTSA-N 1 0 333.403 3.171 20 10 EGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295897122 455862339 /nfs/dbraw/zinc/86/23/39/455862339.db2.gz DVHOWJZWOLJZIS-OAQYLSRUSA-N 1 0 346.515 3.429 20 10 EGCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(OC)CC3)cc2)cn1 ZINC000295933745 455863750 /nfs/dbraw/zinc/86/37/50/455863750.db2.gz GCPFYSFTFNNZLN-INIZCTEOSA-N 1 0 342.487 3.369 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CC2 ZINC000296189337 455875558 /nfs/dbraw/zinc/87/55/58/455875558.db2.gz YLQJRVPOAAOJJZ-LJQANCHMSA-N 1 0 338.451 3.002 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000285651129 455889682 /nfs/dbraw/zinc/88/96/82/455889682.db2.gz LOIZOJOBQWLAML-DKEAGERHSA-N 1 0 330.472 3.284 20 10 EGCDRO COc1c(O)cccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000272332595 455916753 /nfs/dbraw/zinc/91/67/53/455916753.db2.gz WVAHEFBYGNGEQO-QGZVFWFLSA-N 1 0 343.423 3.288 20 10 EGCDRO COc1cc(C)nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000270355513 455937253 /nfs/dbraw/zinc/93/72/53/455937253.db2.gz WXEGTMPRRCYTPZ-SFHVURJKSA-N 1 0 342.439 3.285 20 10 EGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3ccccc3O)CC2)c1 ZINC000296628848 455994072 /nfs/dbraw/zinc/99/40/72/455994072.db2.gz XHRPCCGMULHECC-AWEZNQCLSA-N 1 0 343.427 3.164 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)c1O ZINC000289393716 456123736 /nfs/dbraw/zinc/12/37/36/456123736.db2.gz FIAHQRNRYBFSBK-CYBMUJFWSA-N 1 0 329.396 3.240 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2cccc(OC)c2O)ccc1OC ZINC000289437775 456126299 /nfs/dbraw/zinc/12/62/99/456126299.db2.gz LQEIRUUJHSZUDE-UHFFFAOYSA-N 1 0 331.412 3.236 20 10 EGCDRO Cn1cc(N2CC[NH+](Cc3cc(-c4ccccc4)ccc3O)CC2)cn1 ZINC000271192957 456164829 /nfs/dbraw/zinc/16/48/29/456164829.db2.gz QCNVLRLBZKKNQE-UHFFFAOYSA-N 1 0 348.450 3.115 20 10 EGCDRO COC[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)OCCc2ccccc21 ZINC000297419335 456216734 /nfs/dbraw/zinc/21/67/34/456216734.db2.gz UNWUFARYYKICTI-NQIIRXRSSA-N 1 0 339.435 3.084 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c(O)c1C ZINC000273461034 456232058 /nfs/dbraw/zinc/23/20/58/456232058.db2.gz CSWDAIYNMQHHJM-KRWDZBQOSA-N 1 0 332.488 3.305 20 10 EGCDRO CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273594159 456240774 /nfs/dbraw/zinc/24/07/74/456240774.db2.gz QBIPYVDTYPDZGS-AWEZNQCLSA-N 1 0 334.460 3.094 20 10 EGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274259169 456254139 /nfs/dbraw/zinc/25/41/39/456254139.db2.gz MMDSTMCRPQDYFF-UHFFFAOYSA-N 1 0 344.267 3.334 20 10 EGCDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000275367192 456273342 /nfs/dbraw/zinc/27/33/42/456273342.db2.gz BSRAPIHWSJGQRK-ICSRJNTNSA-N 1 0 349.434 3.413 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297967671 456333848 /nfs/dbraw/zinc/33/38/48/456333848.db2.gz ZPMXKZANSIFOPC-HNNXBMFYSA-N 1 0 332.444 3.369 20 10 EGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)c1 ZINC000290868976 456452518 /nfs/dbraw/zinc/45/25/18/456452518.db2.gz KCOCSXXKABSHKE-CQSZACIVSA-N 1 0 336.233 3.107 20 10 EGCDRO FC(F)(F)COc1cnccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000282355633 456487315 /nfs/dbraw/zinc/48/73/15/456487315.db2.gz VUNCWTSSEBJOJV-UHFFFAOYSA-N 1 0 338.329 3.247 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291029318 456502216 /nfs/dbraw/zinc/50/22/16/456502216.db2.gz DUILYRWDWVITPB-ZDUSSCGKSA-N 1 0 343.402 3.302 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C2CC2)cc1 ZINC000276840504 456596776 /nfs/dbraw/zinc/59/67/76/456596776.db2.gz SPTSHHZSGMCLCA-GOSISDBHSA-N 1 0 328.456 3.203 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276925964 456621244 /nfs/dbraw/zinc/62/12/44/456621244.db2.gz NIKUEQFRFDCGSC-RDTXWAMCSA-N 1 0 346.471 3.375 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276925958 456621625 /nfs/dbraw/zinc/62/16/25/456621625.db2.gz NIKUEQFRFDCGSC-KDOFPFPSSA-N 1 0 346.471 3.375 20 10 EGCDRO CC[N@H+](Cc1ccnn1CCCOC)Cc1ccc(N(C)C)cc1 ZINC000282831553 456638978 /nfs/dbraw/zinc/63/89/78/456638978.db2.gz QNJWFKKGPILQEW-UHFFFAOYSA-N 1 0 330.476 3.008 20 10 EGCDRO O=C(NCc1ccccc1O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000299481762 456706057 /nfs/dbraw/zinc/70/60/57/456706057.db2.gz HEVWCEQZOZTVFC-HNNXBMFYSA-N 1 0 345.468 3.090 20 10 EGCDRO O=C(NCc1ccccc1O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000299481763 456706259 /nfs/dbraw/zinc/70/62/59/456706259.db2.gz HEVWCEQZOZTVFC-OAHLLOKOSA-N 1 0 345.468 3.090 20 10 EGCDRO CCCC[N@H+](Cc1cn(C)nc1C(=O)OCC)Cc1ccccc1O ZINC000283097376 456711378 /nfs/dbraw/zinc/71/13/78/456711378.db2.gz SPTRXMMUHFZWMY-UHFFFAOYSA-N 1 0 345.443 3.105 20 10 EGCDRO CC(C)c1nc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000299589734 456736735 /nfs/dbraw/zinc/73/67/35/456736735.db2.gz DEGDGHDKFWGPCP-UHFFFAOYSA-N 1 0 345.399 3.007 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000292102725 456856193 /nfs/dbraw/zinc/85/61/93/456856193.db2.gz OPQUFYLLVIOHDA-SFHVURJKSA-N 1 0 329.488 3.071 20 10 EGCDRO Cc1cc[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373898428 457389347 /nfs/dbraw/zinc/38/93/47/457389347.db2.gz FSSDQOUIORCYJA-HNNXBMFYSA-N 1 0 347.846 3.077 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000378436702 457395329 /nfs/dbraw/zinc/39/53/29/457395329.db2.gz CWUWPDFZORJPJJ-UYAOXDASSA-N 1 0 327.424 3.489 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Cl)ccc1O ZINC000363865377 457458118 /nfs/dbraw/zinc/45/81/18/457458118.db2.gz NBGPOGGJQYFIPQ-GFCCVEGCSA-N 1 0 328.803 3.477 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc2ccccc2c1O ZINC000363868540 457458773 /nfs/dbraw/zinc/45/87/73/457458773.db2.gz NVDIFPZFXPRYAK-GOEBONIOSA-N 1 0 336.439 3.208 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC[C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000371809039 458082303 /nfs/dbraw/zinc/08/23/03/458082303.db2.gz MRJLLBRATOJXFM-DLBZAZTESA-N 1 0 332.488 3.459 20 10 EGCDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@H]1c1cccs1 ZINC000372105434 458196659 /nfs/dbraw/zinc/19/66/59/458196659.db2.gz LTOGDPFAHOUYBF-KXBFYZLASA-N 1 0 343.496 3.072 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000377249554 458494407 /nfs/dbraw/zinc/49/44/07/458494407.db2.gz KTNNPQKMHGSBAM-CYBMUJFWSA-N 1 0 340.261 3.403 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454875394 458577909 /nfs/dbraw/zinc/57/79/09/458577909.db2.gz NIVVUJYAORNAOA-UHFFFAOYSA-N 1 0 342.487 3.160 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000515833791 458813109 /nfs/dbraw/zinc/81/31/09/458813109.db2.gz TXAHIBILJXYPQN-UHFFFAOYSA-N 1 0 336.439 3.309 20 10 EGCDRO COc1ccc([C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C2CC2)cn1 ZINC000528849612 459815086 /nfs/dbraw/zinc/81/50/86/459815086.db2.gz RQKJEXDVAKDNIV-GOSISDBHSA-N 1 0 344.386 3.378 20 10 EGCDRO COc1ccc([C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C2CC2)cn1 ZINC000529688831 459835278 /nfs/dbraw/zinc/83/52/78/459835278.db2.gz LKUNYUASGYHFGT-IBGZPJMESA-N 1 0 344.411 3.054 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(C)CC1)c1cc(Br)ccc1O ZINC000037267117 522808833 /nfs/dbraw/zinc/80/88/33/522808833.db2.gz BNFPSOPGOOMNSY-CQSZACIVSA-N 1 0 327.266 3.290 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000178579915 526258637 /nfs/dbraw/zinc/25/86/37/526258637.db2.gz JBYIZDNWKJMWMM-AWEZNQCLSA-N 1 0 331.847 3.168 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OCCO3)c(C(F)(F)F)c1 ZINC000279719084 547367446 /nfs/dbraw/zinc/36/74/46/547367446.db2.gz UPWAWWGYIFBDIV-UHFFFAOYSA-N 1 0 344.377 3.110 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)C)cc1 ZINC000729543008 574870439 /nfs/dbraw/zinc/87/04/39/574870439.db2.gz ALGXZNDOUAVKFL-GOSISDBHSA-N 1 0 331.504 3.222 20 10 EGCDRO O=C(C[NH2+]Cc1ccc(N2CCCCC2)cc1)N1CCc2ccccc21 ZINC000729684689 574879003 /nfs/dbraw/zinc/87/90/03/574879003.db2.gz CNPRNNRDPOORMZ-UHFFFAOYSA-N 1 0 349.478 3.356 20 10 EGCDRO CC[NH+](CC)CCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000757945382 574969166 /nfs/dbraw/zinc/96/91/66/574969166.db2.gz GRSJLDSKRNXWST-UHFFFAOYSA-N 1 0 335.275 3.147 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC000731025982 575045517 /nfs/dbraw/zinc/04/55/17/575045517.db2.gz SVQXXUIARZFXPD-SFHVURJKSA-N 1 0 339.483 3.474 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccccc1C ZINC000731026109 575045618 /nfs/dbraw/zinc/04/56/18/575045618.db2.gz YVVCABWKGUBFQA-GOSISDBHSA-N 1 0 339.483 3.474 20 10 EGCDRO COc1ccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)cc1C ZINC000731360902 575068079 /nfs/dbraw/zinc/06/80/79/575068079.db2.gz PIDJFNXLCHIKOT-UHFFFAOYSA-N 1 0 330.472 3.274 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000732290758 575255936 /nfs/dbraw/zinc/25/59/36/575255936.db2.gz ZVZZMIXJEIGERT-LJQANCHMSA-N 1 0 329.488 3.023 20 10 EGCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000741754621 575347184 /nfs/dbraw/zinc/34/71/84/575347184.db2.gz TVBHELLUMMXSED-UHFFFAOYSA-N 1 0 331.504 3.271 20 10 EGCDRO CCn1ccnc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000738431344 576325255 /nfs/dbraw/zinc/32/52/55/576325255.db2.gz OYJTVGLNQYJORB-MRXNPFEDSA-N 1 0 348.878 3.016 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cc1 ZINC000741754289 576717547 /nfs/dbraw/zinc/71/75/47/576717547.db2.gz NCLQZNFITOIEPM-UHFFFAOYSA-N 1 0 331.504 3.222 20 10 EGCDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000741807113 576724224 /nfs/dbraw/zinc/72/42/24/576724224.db2.gz UYBJTXRUFHSNEQ-IAGOWNOFSA-N 1 0 331.504 3.222 20 10 EGCDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742709288 576793780 /nfs/dbraw/zinc/79/37/80/576793780.db2.gz DAIPQCOFNUJKJJ-INIZCTEOSA-N 1 0 349.475 3.473 20 10 EGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000743498748 576810528 /nfs/dbraw/zinc/81/05/28/576810528.db2.gz FGULZCNYDVRVOV-GXFFZTMASA-N 1 0 346.265 3.050 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccccc3N(C)C)CC2)cc1 ZINC000743843578 576816641 /nfs/dbraw/zinc/81/66/41/576816641.db2.gz YSOJKYNFRGOLOU-UHFFFAOYSA-N 1 0 339.483 3.474 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000743869822 576817966 /nfs/dbraw/zinc/81/79/66/576817966.db2.gz BOMIFILKAYPNNU-YESZJQIVSA-N 1 0 332.488 3.497 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000743869819 576817972 /nfs/dbraw/zinc/81/79/72/576817972.db2.gz BOMIFILKAYPNNU-BBWFWOEESA-N 1 0 332.488 3.497 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000744448724 576828735 /nfs/dbraw/zinc/82/87/35/576828735.db2.gz NLJPWGBJVPAWDI-SFHVURJKSA-N 1 0 335.448 3.346 20 10 EGCDRO COc1ccc(C[NH2+]CCCc2nccs2)cc1Cn1cccn1 ZINC000873055847 1297250173 /nfs/dbraw/zinc/25/01/73/1297250173.db2.gz OKOYAVINDVIRKJ-UHFFFAOYSA-N 1 0 342.468 3.119 20 10 EGCDRO CCc1nc(C)c(C[NH2+]Cc2ccc(Br)cc2O)o1 ZINC000691442460 1298133530 /nfs/dbraw/zinc/13/35/30/1298133530.db2.gz FDTJISHDOUUWIK-UHFFFAOYSA-N 1 0 325.206 3.303 20 10 EGCDRO CCOc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000058207256 1291882440 /nfs/dbraw/zinc/88/24/40/1291882440.db2.gz TUFFOMWHYXSQRW-UHFFFAOYSA-N 1 0 327.380 3.078 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCc3ccc(F)cc3F)cc2)CC1 ZINC000827661592 1292352977 /nfs/dbraw/zinc/35/29/77/1292352977.db2.gz BTQFJNKEXBSWCH-UHFFFAOYSA-N 1 0 346.421 3.258 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@]1(C)CO ZINC000827699613 1292356887 /nfs/dbraw/zinc/35/68/87/1292356887.db2.gz JQVMVKXNMXLOLI-IERDGZPVSA-N 1 0 341.451 3.422 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)c1O ZINC000827714280 1292358416 /nfs/dbraw/zinc/35/84/16/1292358416.db2.gz AZMIAYFGBIOACZ-AWEZNQCLSA-N 1 0 343.757 3.156 20 10 EGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000827866512 1292389681 /nfs/dbraw/zinc/38/96/81/1292389681.db2.gz MIRAUALHRKTGOW-HXUWFJFHSA-N 1 0 332.488 3.303 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccccc3OC)C2)cc1 ZINC000076361120 1292426888 /nfs/dbraw/zinc/42/68/88/1292426888.db2.gz CKHFLHXIWRANSS-INIZCTEOSA-N 1 0 326.440 3.320 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)C[C@H]3[C@@H](C)O)cc2)CC1 ZINC000829121742 1292544235 /nfs/dbraw/zinc/54/42/35/1292544235.db2.gz WAFSRTDHOUFULO-FVJLSDCUSA-N 1 0 346.515 3.283 20 10 EGCDRO Cc1cc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)ccc1N(C)C ZINC000830539137 1292730395 /nfs/dbraw/zinc/73/03/95/1292730395.db2.gz AGWMMWSNXMZTGO-UHFFFAOYSA-N 1 0 337.467 3.325 20 10 EGCDRO COc1ccc(N2CCC(N[C@H](C(=O)OC(C)C)C(C)C)CC2)cc1 ZINC000830574259 1292735788 /nfs/dbraw/zinc/73/57/88/1292735788.db2.gz MMRWZYKMJHNYMD-IBGZPJMESA-N 1 0 348.487 3.230 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000831705718 1292908788 /nfs/dbraw/zinc/90/87/88/1292908788.db2.gz BPVOITSXBBOEAL-XLIONFOSSA-N 1 0 337.467 3.227 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)n1-c1ccccc1C ZINC000831705829 1292908823 /nfs/dbraw/zinc/90/88/23/1292908823.db2.gz GHMNMSRRFANAHS-IEBWSBKVSA-N 1 0 337.467 3.227 20 10 EGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093337456 1292915438 /nfs/dbraw/zinc/91/54/38/1292915438.db2.gz LTIMZKFCRCFLPW-LLVKDONJSA-N 1 0 344.249 3.022 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000832266392 1292978277 /nfs/dbraw/zinc/97/82/77/1292978277.db2.gz FENDLAPTVSYCNJ-MJKGWSOKSA-N 1 0 343.515 3.475 20 10 EGCDRO CC(C)[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832266649 1292978603 /nfs/dbraw/zinc/97/86/03/1292978603.db2.gz HRMXXYCYGVPLQZ-VQTJNVASSA-N 1 0 339.483 3.308 20 10 EGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C1CC1 ZINC000102653038 1292980419 /nfs/dbraw/zinc/98/04/19/1292980419.db2.gz AZOVCIGWNVUSEL-ZDUSSCGKSA-N 1 0 343.423 3.328 20 10 EGCDRO C/C(=C\C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000832286334 1292981977 /nfs/dbraw/zinc/98/19/77/1292981977.db2.gz YBWGIITYEMQFTN-FIIODCPWSA-N 1 0 341.430 3.111 20 10 EGCDRO CC(C)c1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832284366 1292982011 /nfs/dbraw/zinc/98/20/11/1292982011.db2.gz JPZPFLVKEMBRET-LJQANCHMSA-N 1 0 325.456 3.306 20 10 EGCDRO C[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832283756 1292982512 /nfs/dbraw/zinc/98/25/12/1292982512.db2.gz BAGWQMVXLDLGNB-KXBFYZLASA-N 1 0 325.456 3.062 20 10 EGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)C1 ZINC000834522993 1293109623 /nfs/dbraw/zinc/10/96/23/1293109623.db2.gz MXMJSTUUAFNOIP-ICSRJNTNSA-N 1 0 341.499 3.057 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114148171 1293162416 /nfs/dbraw/zinc/16/24/16/1293162416.db2.gz BMMQWXMYVOPKOP-GOSISDBHSA-N 1 0 339.483 3.426 20 10 EGCDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834886890 1293164910 /nfs/dbraw/zinc/16/49/10/1293164910.db2.gz QABOGIVDUMOLPY-FSPWUOQZSA-N 1 0 338.879 3.395 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC2(CO)CC2)c1O ZINC000834897554 1293168413 /nfs/dbraw/zinc/16/84/13/1293168413.db2.gz TYIOSZMNOZNFGB-NSHDSACASA-N 1 0 328.250 3.276 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Cl)ccc1O ZINC000834900097 1293169439 /nfs/dbraw/zinc/16/94/39/1293169439.db2.gz SVRRQFMZFJNJAJ-XTQGRXLLSA-N 1 0 335.835 3.350 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000834908905 1293172958 /nfs/dbraw/zinc/17/29/58/1293172958.db2.gz IMGFTEZEARNAKN-MRXNPFEDSA-N 1 0 332.488 3.459 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)CC2 ZINC000834911962 1293175113 /nfs/dbraw/zinc/17/51/13/1293175113.db2.gz VEDOZIUJTLYBEC-HOCLYGCPSA-N 1 0 348.240 3.465 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000115665168 1293193693 /nfs/dbraw/zinc/19/36/93/1293193693.db2.gz HCFPAFOWSOHGLI-UHFFFAOYSA-N 1 0 346.519 3.123 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)cc1OC ZINC000835066118 1293197581 /nfs/dbraw/zinc/19/75/81/1293197581.db2.gz OHZYVXQYYUONKA-SFHVURJKSA-N 1 0 337.460 3.076 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@H]1c1ccccc1 ZINC000835070316 1293200036 /nfs/dbraw/zinc/20/00/36/1293200036.db2.gz NAATVPKZSBNAIF-QZTJIDSGSA-N 1 0 325.408 3.089 20 10 EGCDRO Cc1csc(C(C)(C)[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000116382899 1293204710 /nfs/dbraw/zinc/20/47/10/1293204710.db2.gz MBUGDHSFKAJHAP-UHFFFAOYSA-N 1 0 331.485 3.313 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000119616924 1293280987 /nfs/dbraw/zinc/28/09/87/1293280987.db2.gz QWLJZQAYJHZKHH-SOUVJXGZSA-N 1 0 338.879 3.252 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000121994092 1293399166 /nfs/dbraw/zinc/39/91/66/1293399166.db2.gz YOPUKLPEEVGWEV-IAGOWNOFSA-N 1 0 333.476 3.288 20 10 EGCDRO Cc1cc(C(=O)CN2CCC[C@H](CO)C2)c(C)n1-c1cccc(F)c1 ZINC000122505919 1293415642 /nfs/dbraw/zinc/41/56/42/1293415642.db2.gz PAAAWGHEXLKMGH-INIZCTEOSA-N 1 0 344.430 3.120 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000122807612 1293425622 /nfs/dbraw/zinc/42/56/22/1293425622.db2.gz NATXDKKBBLIZIL-UHFFFAOYSA-N 1 0 341.455 3.048 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000122801532 1293425740 /nfs/dbraw/zinc/42/57/40/1293425740.db2.gz JGGMAWZVKDOURF-OAHLLOKOSA-N 1 0 346.496 3.315 20 10 EGCDRO CCC[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccccc1O ZINC000130736855 1293666635 /nfs/dbraw/zinc/66/66/35/1293666635.db2.gz HHXRXXWFFWLQMS-UHFFFAOYSA-N 1 0 333.819 3.291 20 10 EGCDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151405475 1293922615 /nfs/dbraw/zinc/92/26/15/1293922615.db2.gz LRGXSSZTRVFPJH-FXAWDEMLSA-N 1 0 334.504 3.361 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)cc1F ZINC000152222223 1293959663 /nfs/dbraw/zinc/95/96/63/1293959663.db2.gz HTDSWLCQGBEPRG-CQSZACIVSA-N 1 0 347.434 3.059 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000152561767 1293975046 /nfs/dbraw/zinc/97/50/46/1293975046.db2.gz YGHQYDQOBIPQIK-ICSRJNTNSA-N 1 0 346.446 3.372 20 10 EGCDRO CC[C@](C)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000152612885 1293977135 /nfs/dbraw/zinc/97/71/35/1293977135.db2.gz OZBHDSNBMAYNED-SFHVURJKSA-N 1 0 331.485 3.395 20 10 EGCDRO COc1cc(OC)c(CN(C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000155184128 1294087790 /nfs/dbraw/zinc/08/77/90/1294087790.db2.gz FERHGDCUGHMCRI-UHFFFAOYSA-N 1 0 344.455 3.410 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000157353840 1294175550 /nfs/dbraw/zinc/17/55/50/1294175550.db2.gz HHSIYSUFGMXLRN-LJQANCHMSA-N 1 0 328.460 3.138 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2C)cc1 ZINC000160921375 1294281060 /nfs/dbraw/zinc/28/10/60/1294281060.db2.gz KRAPKGUSUABCIG-CVEARBPZSA-N 1 0 341.455 3.102 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161312498 1294289395 /nfs/dbraw/zinc/28/93/95/1294289395.db2.gz PUSVHOCWYTYJSM-UHFFFAOYSA-N 1 0 348.512 3.015 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000161403670 1294290886 /nfs/dbraw/zinc/29/08/86/1294290886.db2.gz OSUSQKHKLMETIM-HZPDHXFCSA-N 1 0 329.419 3.233 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000161403554 1294290899 /nfs/dbraw/zinc/29/08/99/1294290899.db2.gz OSUSQKHKLMETIM-HOTGVXAUSA-N 1 0 329.419 3.233 20 10 EGCDRO CC(C)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000171936725 1294423131 /nfs/dbraw/zinc/42/31/31/1294423131.db2.gz LXHXHIGIMIYAGF-IBGZPJMESA-N 1 0 340.467 3.380 20 10 EGCDRO CN(CC[NH+](C)C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000176279816 1294599623 /nfs/dbraw/zinc/59/96/23/1294599623.db2.gz YYARAEBMQJENMV-UHFFFAOYSA-N 1 0 346.519 3.159 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cnc4ccccn34)CC2)cc1 ZINC000177268329 1294662223 /nfs/dbraw/zinc/66/22/23/1294662223.db2.gz JKPBQDLGQUEZKT-UHFFFAOYSA-N 1 0 336.439 3.055 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000181923024 1295006338 /nfs/dbraw/zinc/00/63/38/1295006338.db2.gz IMPMDPXLOJJRNN-SFHVURJKSA-N 1 0 327.424 3.234 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2C)c1 ZINC000182344781 1295037480 /nfs/dbraw/zinc/03/74/80/1295037480.db2.gz FQDMCYBDZPRHPX-CQSZACIVSA-N 1 0 328.412 3.307 20 10 EGCDRO CCc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182359666 1295038688 /nfs/dbraw/zinc/03/86/88/1295038688.db2.gz BUBWLVLFRORSBQ-ZDUSSCGKSA-N 1 0 328.412 3.253 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000182366336 1295040452 /nfs/dbraw/zinc/04/04/52/1295040452.db2.gz LQUODOIXODWQFX-GFCCVEGCSA-N 1 0 332.356 3.039 20 10 EGCDRO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182414108 1295045454 /nfs/dbraw/zinc/04/54/54/1295045454.db2.gz OQLKBVRNWOFFCT-NSHDSACASA-N 1 0 333.384 3.194 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c(O)c1 ZINC000185263537 1295251490 /nfs/dbraw/zinc/25/14/90/1295251490.db2.gz IRHSJQICTWBUAV-CQSZACIVSA-N 1 0 333.453 3.096 20 10 EGCDRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000185267248 1295251757 /nfs/dbraw/zinc/25/17/57/1295251757.db2.gz MQTGQRCRWXFDQZ-CYBMUJFWSA-N 1 0 334.460 3.446 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186384788 1295322075 /nfs/dbraw/zinc/32/20/75/1295322075.db2.gz BCSNOCZFGHDTSA-UHFFFAOYSA-N 1 0 329.396 3.336 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1O ZINC000189964960 1295554542 /nfs/dbraw/zinc/55/45/42/1295554542.db2.gz BJIIRWZTWPLQBN-MOPGFXCFSA-N 1 0 327.424 3.220 20 10 EGCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000245551813 1296313856 /nfs/dbraw/zinc/31/38/56/1296313856.db2.gz BYLODJXWATVPLP-JKIFEVAISA-N 1 0 338.879 3.119 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000246985484 1296378092 /nfs/dbraw/zinc/37/80/92/1296378092.db2.gz HMEFGQNGHDYZIQ-CVEARBPZSA-N 1 0 346.471 3.207 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C2CCCCCC2)cc1 ZINC000302918910 1296810243 /nfs/dbraw/zinc/81/02/43/1296810243.db2.gz DCPPBVFZLVKNCQ-UHFFFAOYSA-N 1 0 331.504 3.366 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)NC(=O)OC(C)(C)C ZINC000305883804 1297063736 /nfs/dbraw/zinc/06/37/36/1297063736.db2.gz GDYPKHOECAQFRM-OAHLLOKOSA-N 1 0 333.476 3.290 20 10 EGCDRO C[C@]1(CNC(=O)Nc2ccc(N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000311054840 1297103864 /nfs/dbraw/zinc/10/38/64/1297103864.db2.gz VQXVUGSPJYYEIT-HXUWFJFHSA-N 1 0 338.455 3.303 20 10 EGCDRO COc1ccccc1N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000322014601 1297186924 /nfs/dbraw/zinc/18/69/24/1297186924.db2.gz IMOIZRVBLJCLHI-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1C ZINC000873094531 1297269973 /nfs/dbraw/zinc/26/99/73/1297269973.db2.gz DQWLDCHKMATLDO-PMACEKPBSA-N 1 0 343.467 3.358 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000873196971 1297342810 /nfs/dbraw/zinc/34/28/10/1297342810.db2.gz VPPTVLDKIAQJQP-JLTOFOAXSA-N 1 0 345.439 3.233 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000383740964 1297574150 /nfs/dbraw/zinc/57/41/50/1297574150.db2.gz CEYZBSATAYCKLY-LSDHHAIUSA-N 1 0 332.444 3.272 20 10 EGCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000389790368 1297611817 /nfs/dbraw/zinc/61/18/17/1297611817.db2.gz LKMCFATWQKPYTM-WMLDXEAASA-N 1 0 346.471 3.357 20 10 EGCDRO Oc1cccc(Br)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000707158320 1298225437 /nfs/dbraw/zinc/22/54/37/1298225437.db2.gz ZGZAUYMMFINASK-ZDUSSCGKSA-N 1 0 339.277 3.215 20 10 EGCDRO Oc1cccc(Br)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000707144977 1298226674 /nfs/dbraw/zinc/22/66/74/1298226674.db2.gz CIVCXTNHJMPFIX-ZDUSSCGKSA-N 1 0 339.277 3.215 20 10 EGCDRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)CC1(C)OCCO1 ZINC000715966173 1298291320 /nfs/dbraw/zinc/29/13/20/1298291320.db2.gz MNXQVZBKJBICIN-LLVKDONJSA-N 1 0 344.249 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1C ZINC000725842712 1298372243 /nfs/dbraw/zinc/37/22/43/1298372243.db2.gz MMNWBJWWJQGQIW-HZPDHXFCSA-N 1 0 338.451 3.460 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCc4sccc4C3)cc2)CC1 ZINC000876559447 1298827764 /nfs/dbraw/zinc/82/77/64/1298827764.db2.gz ZHBRYYBVLQYMJF-UHFFFAOYSA-N 1 0 328.481 3.268 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c(O)c1 ZINC000876636759 1298885654 /nfs/dbraw/zinc/88/56/54/1298885654.db2.gz MBNOLIAABNRHNZ-UHFFFAOYSA-N 1 0 345.487 3.297 20 10 EGCDRO CC(C)(C)OC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876635469 1298887140 /nfs/dbraw/zinc/88/71/40/1298887140.db2.gz BKOHMIAJKVEGKP-UHFFFAOYSA-N 1 0 346.515 3.427 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(O)c1 ZINC000876649128 1298895696 /nfs/dbraw/zinc/89/56/96/1298895696.db2.gz MZRHBQQMPKIYST-UHFFFAOYSA-N 1 0 330.472 3.362 20 10 EGCDRO COC1CCC([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876737886 1298948733 /nfs/dbraw/zinc/94/87/33/1298948733.db2.gz VEEKCBKWLMYOTB-UHFFFAOYSA-N 1 0 332.488 3.037 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000876990804 1299104198 /nfs/dbraw/zinc/10/41/98/1299104198.db2.gz MMYDYEXUKPBQJY-LJQANCHMSA-N 1 0 344.430 3.003 20 10 EGCDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000877024827 1299118254 /nfs/dbraw/zinc/11/82/54/1299118254.db2.gz PLMGFESTWGRTKG-IEBWSBKVSA-N 1 0 343.515 3.460 20 10 EGCDRO C[C@@H](CCc1cccn1C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877042138 1299128316 /nfs/dbraw/zinc/12/83/16/1299128316.db2.gz NKGGZLMCMMQNGD-KRWDZBQOSA-N 1 0 341.499 3.097 20 10 EGCDRO CSc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000877166296 1299189529 /nfs/dbraw/zinc/18/95/29/1299189529.db2.gz REAXZGMXFZPZFC-UHFFFAOYSA-N 1 0 343.496 3.054 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000749322991 1299193684 /nfs/dbraw/zinc/19/36/84/1299193684.db2.gz JIZHSBVSDXCQGF-CQSZACIVSA-N 1 0 331.847 3.422 20 10 EGCDRO Cc1ccc([C@@H]([NH2+]Cc2ccc(C)cc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000877496241 1299346687 /nfs/dbraw/zinc/34/66/87/1299346687.db2.gz OHNWXCKJTNAJJO-BEFAXECRSA-N 1 0 347.480 3.273 20 10 EGCDRO Cc1ccc([C@@H]([NH2+]Cc2ccc(C)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000877496244 1299349226 /nfs/dbraw/zinc/34/92/26/1299349226.db2.gz OHNWXCKJTNAJJO-KXBFYZLASA-N 1 0 347.480 3.273 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877502471 1299351827 /nfs/dbraw/zinc/35/18/27/1299351827.db2.gz KGUMKDSBSLBZGK-LJQANCHMSA-N 1 0 334.460 3.437 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000877540081 1299381676 /nfs/dbraw/zinc/38/16/76/1299381676.db2.gz ROITUWQRUVHQCH-UXHICEINSA-N 1 0 344.499 3.037 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877574384 1299409330 /nfs/dbraw/zinc/40/93/30/1299409330.db2.gz HVZODKFZYBFQQH-GDBMZVCRSA-N 1 0 334.460 3.484 20 10 EGCDRO CC(C)O[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877611693 1299431768 /nfs/dbraw/zinc/43/17/68/1299431768.db2.gz YFZYIHWTAILFKV-FQEVSTJZSA-N 1 0 332.488 3.037 20 10 EGCDRO COc1cccc(C)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877636627 1299444758 /nfs/dbraw/zinc/44/47/58/1299444758.db2.gz FEIAJIDOSWPNLH-UHFFFAOYSA-N 1 0 340.467 3.255 20 10 EGCDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(C)cc3O)CC2)c1 ZINC000877694218 1299486832 /nfs/dbraw/zinc/48/68/32/1299486832.db2.gz FCYZOOUVDKBBLH-UHFFFAOYSA-N 1 0 338.451 3.403 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000753547742 1299970313 /nfs/dbraw/zinc/97/03/13/1299970313.db2.gz VACXSAMRFDWSMD-FXAWDEMLSA-N 1 0 338.451 3.155 20 10 EGCDRO COc1ccccc1CN1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000754726215 1300202798 /nfs/dbraw/zinc/20/27/98/1300202798.db2.gz HESYELATXBUSHP-UHFFFAOYSA-N 1 0 340.467 3.335 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1sccc1C[NH+](C)C ZINC000756097242 1300438556 /nfs/dbraw/zinc/43/85/56/1300438556.db2.gz UHIRVKBKSDCPOE-UHFFFAOYSA-N 1 0 331.485 3.114 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000756362587 1300475746 /nfs/dbraw/zinc/47/57/46/1300475746.db2.gz JZSFNGUQZZICPL-GJZGRUSLSA-N 1 0 334.460 3.094 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cccn2)c2c1c(F)ccc2O ZINC000756393312 1300483446 /nfs/dbraw/zinc/48/34/46/1300483446.db2.gz NDKVOLBUOJZJDN-SWLSCSKDSA-N 1 0 338.386 3.450 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000756430972 1300488839 /nfs/dbraw/zinc/48/88/39/1300488839.db2.gz ALEXIJXXWLSWDH-HNNXBMFYSA-N 1 0 330.428 3.280 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(Br)cc1O ZINC000756432908 1300489395 /nfs/dbraw/zinc/48/93/95/1300489395.db2.gz LPUXONORCFQFQP-QMTHXVAHSA-N 1 0 327.266 3.146 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N3CCOC3=O)c2)c1 ZINC000756445218 1300493413 /nfs/dbraw/zinc/49/34/13/1300493413.db2.gz LRAMBMNMVMNIPG-ZDUSSCGKSA-N 1 0 342.395 3.208 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756446492 1300493419 /nfs/dbraw/zinc/49/34/19/1300493419.db2.gz QRGBYMQVJMCLHO-XJKSGUPXSA-N 1 0 342.414 3.408 20 10 EGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756456601 1300496524 /nfs/dbraw/zinc/49/65/24/1300496524.db2.gz YNIQNXVHIGEWRC-SJORKVTESA-N 1 0 329.440 3.408 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc(F)c2)c2c1c(F)ccc2O ZINC000756462135 1300497850 /nfs/dbraw/zinc/49/78/50/1300497850.db2.gz ZWJDWJWPYWKYEW-KFNAQCHYSA-N 1 0 349.377 3.248 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2c1c(F)ccc2O ZINC000756503800 1300508919 /nfs/dbraw/zinc/50/89/19/1300508919.db2.gz PWBXNOSMMCLJOX-FOGDFJRCSA-N 1 0 332.341 3.306 20 10 EGCDRO C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756505992 1300509162 /nfs/dbraw/zinc/50/91/62/1300509162.db2.gz ZJQGSLZVJWNXMR-UWVGGRQHSA-N 1 0 333.245 3.285 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1O ZINC000756571797 1300523925 /nfs/dbraw/zinc/52/39/25/1300523925.db2.gz FOIRYDHZTIYTLP-XJKSGUPXSA-N 1 0 338.879 3.340 20 10 EGCDRO C[C@H]([NH2+]CCOc1cccnc1)c1ccc(Br)cc1O ZINC000756571623 1300524078 /nfs/dbraw/zinc/52/40/78/1300524078.db2.gz HNILJNBTCFSGRH-NSHDSACASA-N 1 0 337.217 3.279 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c(O)c1C ZINC000756657283 1300542301 /nfs/dbraw/zinc/54/23/01/1300542301.db2.gz CVJOYHZILKETBC-QXAKKESOSA-N 1 0 332.488 3.303 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000756683957 1300547578 /nfs/dbraw/zinc/54/75/78/1300547578.db2.gz IHGVTYPETQCTRL-ZDUSSCGKSA-N 1 0 334.460 3.092 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000756683954 1300547833 /nfs/dbraw/zinc/54/78/33/1300547833.db2.gz IHGVTYPETQCTRL-CYBMUJFWSA-N 1 0 334.460 3.092 20 10 EGCDRO CC(C)[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)N1CCCC1 ZINC000756707279 1300549612 /nfs/dbraw/zinc/54/96/12/1300549612.db2.gz XPMZTRGCWKYQHW-WRSAYESZSA-N 1 0 334.435 3.316 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000756761013 1300561520 /nfs/dbraw/zinc/56/15/20/1300561520.db2.gz SREDEQJUDWJLQG-ZDUSSCGKSA-N 1 0 329.396 3.413 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)c2c1c(F)ccc2O ZINC000756769546 1300562570 /nfs/dbraw/zinc/56/25/70/1300562570.db2.gz FYPCUVOHPTZWLT-NFAWXSAZSA-N 1 0 327.403 3.343 20 10 EGCDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)C(F)(F)F ZINC000756836584 1300573416 /nfs/dbraw/zinc/57/34/16/1300573416.db2.gz XIAFPNIIYUCCBK-CPCISQLKSA-N 1 0 342.155 3.383 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000756928315 1300591231 /nfs/dbraw/zinc/59/12/31/1300591231.db2.gz VFICGVREIFQZNW-CQSZACIVSA-N 1 0 345.464 3.266 20 10 EGCDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000879648156 1300648242 /nfs/dbraw/zinc/64/82/42/1300648242.db2.gz AIHMEGMDDXVTJJ-OLZOCXBDSA-N 1 0 344.411 3.087 20 10 EGCDRO C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000879649070 1300648722 /nfs/dbraw/zinc/64/87/22/1300648722.db2.gz LDIBWVOQLXUFHB-CQSZACIVSA-N 1 0 338.407 3.119 20 10 EGCDRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1C ZINC000879648647 1300649104 /nfs/dbraw/zinc/64/91/04/1300649104.db2.gz XMJLZXZOCHNQED-YPMHNXCESA-N 1 0 328.412 3.462 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccccc1O ZINC000879650005 1300650105 /nfs/dbraw/zinc/65/01/05/1300650105.db2.gz XFXBCXIDHIJBGM-ZIAGYGMSSA-N 1 0 330.403 3.402 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 ZINC000758530249 1300904310 /nfs/dbraw/zinc/90/43/10/1300904310.db2.gz SQAUPVUPLNQAPW-PMACEKPBSA-N 1 0 328.431 3.148 20 10 EGCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 ZINC000758634566 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Fc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)ccc1N1CCOCC1 ZINC000768359965 1302886642 /nfs/dbraw/zinc/88/66/42/1302886642.db2.gz ICEKWXWEGDHVPC-FQEVSTJZSA-N 1 0 341.430 3.394 20 10 EGCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000768420427 1302900191 /nfs/dbraw/zinc/90/01/91/1302900191.db2.gz FFIVCFXUIHZLNH-UHFFFAOYSA-N 1 0 326.440 3.318 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1)[C@@H](O)CO2 ZINC000768442154 1302903799 /nfs/dbraw/zinc/90/37/99/1302903799.db2.gz JRVJFEPIUYELCM-XLIONFOSSA-N 1 0 339.435 3.415 20 10 EGCDRO Cc1ccccc1C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768440269 1302905220 /nfs/dbraw/zinc/90/52/20/1302905220.db2.gz PVUGZGFRTWFRHE-LJQANCHMSA-N 1 0 325.408 3.291 20 10 EGCDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768447899 1302906593 /nfs/dbraw/zinc/90/65/93/1302906593.db2.gz RGIOVUAWEDQXIN-ZXYWRSMDSA-N 1 0 325.408 3.196 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768445251 1302908273 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341.293 3.459 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000769499911 1303128476 /nfs/dbraw/zinc/12/84/76/1303128476.db2.gz SKSBMOHKHYDOKP-KRWDZBQOSA-N 1 0 327.424 3.440 20 10 EGCDRO CC[N@H+](Cc1cnc(N)s1)Cc1cc(Br)ccc1O ZINC000769541334 1303138868 /nfs/dbraw/zinc/13/88/68/1303138868.db2.gz UTRASMFYBYSFAB-UHFFFAOYSA-N 1 0 342.262 3.216 20 10 EGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)cc(OC)c1O)CC2 ZINC000770652917 1303300638 /nfs/dbraw/zinc/30/06/38/1303300638.db2.gz XGEMDBFUJKYDLG-UHFFFAOYSA-N 1 0 341.407 3.054 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(Cl)cn3)C2)cc1 ZINC000886149123 1303375267 /nfs/dbraw/zinc/37/52/67/1303375267.db2.gz HCDRHAJEGPUXCV-AWEZNQCLSA-N 1 0 331.847 3.360 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000771393101 1303398568 /nfs/dbraw/zinc/39/85/68/1303398568.db2.gz YLARNNLBNDSQRM-CABCVRRESA-N 1 0 340.414 3.416 20 10 EGCDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886324629 1303434250 /nfs/dbraw/zinc/43/42/50/1303434250.db2.gz ADVVJHWKHPJYBV-GOSISDBHSA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1c([O-])cccc1F ZINC000886542639 1303492510 /nfs/dbraw/zinc/49/25/10/1303492510.db2.gz CWBFVSQWYHNNJE-AWEZNQCLSA-N 1 0 329.419 3.494 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000886749187 1303583683 /nfs/dbraw/zinc/58/36/83/1303583683.db2.gz LULMWDPNJVOKLG-HXUWFJFHSA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H]1C ZINC000886749668 1303583695 /nfs/dbraw/zinc/58/36/95/1303583695.db2.gz ZRQJKLZPOGYGID-GUXCAODWSA-N 1 0 343.515 3.303 20 10 EGCDRO CCn1cnnc1CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773007869 1303606032 /nfs/dbraw/zinc/60/60/32/1303606032.db2.gz JDVZWGUCEJLTRI-OAHLLOKOSA-N 1 0 345.466 3.321 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(N2CCCCCC2)cc1 ZINC000773071920 1303619567 /nfs/dbraw/zinc/61/95/67/1303619567.db2.gz LONJMRPPYALBCW-BBTUJRGHSA-N 1 0 345.531 3.437 20 10 EGCDRO CC(C)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000773086136 1303622248 /nfs/dbraw/zinc/62/22/48/1303622248.db2.gz ZEMOGGYACIOLRU-WIYYLYMNSA-N 1 0 345.531 3.437 20 10 EGCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773371876 1303669494 /nfs/dbraw/zinc/66/94/94/1303669494.db2.gz LERLDAXWLBLVFE-BRWVUGGUSA-N 1 0 346.519 3.233 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000773757081 1303735401 /nfs/dbraw/zinc/73/54/01/1303735401.db2.gz YJLZKFMUQQUWKU-FQEVSTJZSA-N 1 0 332.488 3.303 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1ccccc1 ZINC000774480356 1303814750 /nfs/dbraw/zinc/81/47/50/1303814750.db2.gz AWKZFODWMPTALT-DLBZAZTESA-N 1 0 339.483 3.151 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1F ZINC000774480369 1303814929 /nfs/dbraw/zinc/81/49/29/1303814929.db2.gz AYFNURITUAVRTB-LSDHHAIUSA-N 1 0 343.446 3.247 20 10 EGCDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774482777 1303814971 /nfs/dbraw/zinc/81/49/71/1303814971.db2.gz HQKHXXHUWQCQON-IAGOWNOFSA-N 1 0 339.483 3.417 20 10 EGCDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774482772 1303815548 /nfs/dbraw/zinc/81/55/48/1303815548.db2.gz HQKHXXHUWQCQON-DLBZAZTESA-N 1 0 339.483 3.417 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2c2ccccn2)ccc1[N+](=O)[O-] ZINC000774834742 1303865104 /nfs/dbraw/zinc/86/51/04/1303865104.db2.gz XVDSOYDXMLXPKL-AWEZNQCLSA-N 1 0 329.356 3.041 20 10 EGCDRO C[C@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000774974921 1303885212 /nfs/dbraw/zinc/88/52/12/1303885212.db2.gz MDCNYBGQLUDDKI-INIZCTEOSA-N 1 0 346.519 3.235 20 10 EGCDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccn1 ZINC000774998831 1303887280 /nfs/dbraw/zinc/88/72/80/1303887280.db2.gz PFAOAAKYHAJHRM-ZDUSSCGKSA-N 1 0 331.372 3.335 20 10 EGCDRO Cc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)c1O ZINC000775199435 1303923618 /nfs/dbraw/zinc/92/36/18/1303923618.db2.gz IRFZMHFBHOYRKQ-SFHVURJKSA-N 1 0 329.440 3.351 20 10 EGCDRO CCOc1ccc(C[NH2+]CCc2nn(C)c3ccccc23)c(O)c1 ZINC000775318859 1303938633 /nfs/dbraw/zinc/93/86/33/1303938633.db2.gz LSKVCUCTLYDGDF-UHFFFAOYSA-N 1 0 325.412 3.010 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc2c1OCO2 ZINC000775362615 1303945913 /nfs/dbraw/zinc/94/59/13/1303945913.db2.gz IXNJXLZKWZMOLL-ZDUSSCGKSA-N 1 0 328.412 3.341 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]1Oc1ccccc1 ZINC000775499419 1303974449 /nfs/dbraw/zinc/97/44/49/1303974449.db2.gz DNXIQLKLQIWERF-CEWLAPEOSA-N 1 0 339.435 3.336 20 10 EGCDRO CCOC1CC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000775633092 1303999617 /nfs/dbraw/zinc/99/96/17/1303999617.db2.gz JTADAJOFSCMABV-KLAILNCOSA-N 1 0 338.879 3.167 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000775830665 1304045259 /nfs/dbraw/zinc/04/52/59/1304045259.db2.gz MHTZYYVMQBIPML-YVSFHVDLSA-N 1 0 331.504 3.296 20 10 EGCDRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775832963 1304046409 /nfs/dbraw/zinc/04/64/09/1304046409.db2.gz DEXQGLMSRGUDDW-LPHOPBHVSA-N 1 0 328.456 3.152 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775836654 1304047985 /nfs/dbraw/zinc/04/79/85/1304047985.db2.gz OUZZZZDYNVCLLH-OAHLLOKOSA-N 1 0 343.446 3.201 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775835592 1304048276 /nfs/dbraw/zinc/04/82/76/1304048276.db2.gz VJCSBQOXBADQAQ-ACJLOTCBSA-N 1 0 329.400 3.045 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000776175765 1304107269 /nfs/dbraw/zinc/10/72/69/1304107269.db2.gz QLLAHAVENUBIJZ-PBHICJAKSA-N 1 0 338.879 3.026 20 10 EGCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000776249509 1304121131 /nfs/dbraw/zinc/12/11/31/1304121131.db2.gz OWMWZEPDIMFGHQ-FCEWJHQRSA-N 1 0 346.519 3.328 20 10 EGCDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776256920 1304122462 /nfs/dbraw/zinc/12/24/62/1304122462.db2.gz SOFNNBBDGZUVRJ-SMDDNHRTSA-N 1 0 328.250 3.368 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000776309684 1304131413 /nfs/dbraw/zinc/13/14/13/1304131413.db2.gz NJARYUVDSFXJBB-LSDHHAIUSA-N 1 0 338.879 3.396 20 10 EGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000776766383 1304195894 /nfs/dbraw/zinc/19/58/94/1304195894.db2.gz QKSFYINKXUBJQJ-HXUWFJFHSA-N 1 0 338.382 3.173 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccsc3)CC1)[C@@H](O)CO2 ZINC000776781598 1304198730 /nfs/dbraw/zinc/19/87/30/1304198730.db2.gz LYBJHFCPXYDQBY-KRWDZBQOSA-N 1 0 331.437 3.259 20 10 EGCDRO Cc1ncsc1/C=C/C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000776838668 1304208572 /nfs/dbraw/zinc/20/85/72/1304208572.db2.gz KXDMXDVIVIWELP-MDZDMXLPSA-N 1 0 345.468 3.068 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3nnc(CC(C)(C)C)o3)cc2)CC1 ZINC000777515777 1304306343 /nfs/dbraw/zinc/30/63/43/1304306343.db2.gz MQLHTFBJUBIJJZ-UHFFFAOYSA-N 1 0 343.475 3.022 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3ccc(C(=O)OC)cc3C2)c1 ZINC000779599886 1304585054 /nfs/dbraw/zinc/58/50/54/1304585054.db2.gz PVJJPOIUCQYFQN-UHFFFAOYSA-N 1 0 341.407 3.136 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1F ZINC000779596809 1304585244 /nfs/dbraw/zinc/58/52/44/1304585244.db2.gz MVBATEBODZBJNG-UHFFFAOYSA-N 1 0 339.455 3.190 20 10 EGCDRO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000780892802 1304748849 /nfs/dbraw/zinc/74/88/49/1304748849.db2.gz KMPSNZLZNJCSTJ-OAHLLOKOSA-N 1 0 329.419 3.250 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC23CCCC3)[NH+](C)C)cc1 ZINC000891252657 1305000632 /nfs/dbraw/zinc/00/06/32/1305000632.db2.gz LWNGBFWGZCFWSE-QZTJIDSGSA-N 1 0 329.488 3.052 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CC=CCC2)[NH+](C)C)cc1 ZINC000891248922 1305000796 /nfs/dbraw/zinc/00/07/96/1305000796.db2.gz OQSPVDAYPUJVKM-AZUAARDMSA-N 1 0 329.488 3.218 20 10 EGCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccsc1 ZINC000891254132 1305001747 /nfs/dbraw/zinc/00/17/47/1305001747.db2.gz VWHHXTKZXHTCQF-KDOFPFPSSA-N 1 0 345.512 3.337 20 10 EGCDRO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cc(Br)ccc1O ZINC000783315174 1305081176 /nfs/dbraw/zinc/08/11/76/1305081176.db2.gz VRAXNGGDGZPNJV-NSHDSACASA-N 1 0 327.266 3.290 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Br)ccc1O ZINC000783648055 1305123018 /nfs/dbraw/zinc/12/30/18/1305123018.db2.gz YADOZJAJYWIXPX-NOZJJQNGSA-N 1 0 326.190 3.132 20 10 EGCDRO COc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)c(O)c1OC ZINC000891668160 1305129660 /nfs/dbraw/zinc/12/96/60/1305129660.db2.gz SQEKBCDJGSOSRH-UHFFFAOYSA-N 1 0 343.423 3.453 20 10 EGCDRO COc1ccc(C[N@H+](C)CCCOc2ccccc2)c(O)c1OC ZINC000891704975 1305141528 /nfs/dbraw/zinc/14/15/28/1305141528.db2.gz MWIOOWHEVURAQZ-UHFFFAOYSA-N 1 0 331.412 3.310 20 10 EGCDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000784640235 1305268026 /nfs/dbraw/zinc/26/80/26/1305268026.db2.gz NATXIVIDBIDPCF-KBXCAEBGSA-N 1 0 333.432 3.242 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784676404 1305270704 /nfs/dbraw/zinc/27/07/04/1305270704.db2.gz RBYVFBOIUWYYOP-UHFFFAOYSA-N 1 0 335.810 3.292 20 10 EGCDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000787422670 1305742901 /nfs/dbraw/zinc/74/29/01/1305742901.db2.gz IJLKWSUALBWGPN-QRFRQXIXSA-N 1 0 336.435 3.145 20 10 EGCDRO Cc1cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000788377876 1305931520 /nfs/dbraw/zinc/93/15/20/1305931520.db2.gz LIBBXBRRESBPPK-INIZCTEOSA-N 1 0 334.504 3.151 20 10 EGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)ccn1 ZINC000788542293 1305967415 /nfs/dbraw/zinc/96/74/15/1305967415.db2.gz LXXNLWWURWFUGZ-OAHLLOKOSA-N 1 0 343.496 3.494 20 10 EGCDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000788544441 1305967448 /nfs/dbraw/zinc/96/74/48/1305967448.db2.gz DREDIDKQTJBPBS-KFWWJZLASA-N 1 0 338.467 3.342 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c(O)c1 ZINC000788558291 1305970862 /nfs/dbraw/zinc/97/08/62/1305970862.db2.gz UKOMHVQCMHAOCK-MRXNPFEDSA-N 1 0 326.440 3.318 20 10 EGCDRO Cn1cc(C[N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])cn1 ZINC000893909018 1306124511 /nfs/dbraw/zinc/12/45/11/1306124511.db2.gz IKSPAWYETKBDPX-UHFFFAOYSA-N 1 0 344.640 3.174 20 10 EGCDRO CCc1nc([C@@H]2CCCCN2Cc2cc(C)cc(OC)c2O)no1 ZINC000893968245 1306154222 /nfs/dbraw/zinc/15/42/22/1306154222.db2.gz GLLAEHOLVJIRKK-AWEZNQCLSA-N 1 0 331.416 3.382 20 10 EGCDRO C/C=C(/CC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000789816363 1306219020 /nfs/dbraw/zinc/21/90/20/1306219020.db2.gz LPVDEZWAGUSCQN-QMMNQCBRSA-N 1 0 336.863 3.483 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCOc3c(OC)cccc32)c1O ZINC000894257792 1306305556 /nfs/dbraw/zinc/30/55/56/1306305556.db2.gz XXMHXGRDNVFOQA-HNNXBMFYSA-N 1 0 329.396 3.331 20 10 EGCDRO COC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(F)c(F)c1 ZINC000894373561 1306364864 /nfs/dbraw/zinc/36/48/64/1306364864.db2.gz VJSYLISHUTZXJP-INIZCTEOSA-N 1 0 337.366 3.465 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1O ZINC000894468963 1308905851 /nfs/dbraw/zinc/90/58/51/1308905851.db2.gz CDVIKQJBAJGUEU-GOSISDBHSA-N 1 0 335.831 3.360 20 10 EGCDRO COc1cc(C)cc(CN(Cc2ccco2)C2CC[NH+](C)CC2)c1O ZINC000894780945 1309067876 /nfs/dbraw/zinc/06/78/76/1309067876.db2.gz AVRFHGRSCGNKAZ-UHFFFAOYSA-N 1 0 344.455 3.399 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1O ZINC000894794634 1309074625 /nfs/dbraw/zinc/07/46/25/1309074625.db2.gz PFQVXTKUWKGZTE-GOSISDBHSA-N 1 0 333.453 3.348 20 10 EGCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792787342 1309231244 /nfs/dbraw/zinc/23/12/44/1309231244.db2.gz CDSWRJFMFCTSHR-NSHDSACASA-N 1 0 332.366 3.012 20 10 EGCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792791263 1309231583 /nfs/dbraw/zinc/23/15/83/1309231583.db2.gz IFRZENSCBMCECX-UHFFFAOYSA-N 1 0 332.366 3.156 20 10 EGCDRO CC(=O)OC1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792825867 1309237753 /nfs/dbraw/zinc/23/77/53/1309237753.db2.gz CGCVWKMXPFCPRK-UHFFFAOYSA-N 1 0 344.377 3.299 20 10 EGCDRO CC(C)n1nccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000792943827 1309266862 /nfs/dbraw/zinc/26/68/62/1309266862.db2.gz XBCFQMXRDAZGEB-MRXNPFEDSA-N 1 0 328.460 3.151 20 10 EGCDRO CN(C)c1ccc(CNCCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000793040191 1309284410 /nfs/dbraw/zinc/28/44/10/1309284410.db2.gz DWTUBRFMKXTFSQ-UHFFFAOYSA-N 1 0 329.410 3.347 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)c(O)c1 ZINC000793387597 1309362337 /nfs/dbraw/zinc/36/23/37/1309362337.db2.gz IHZQYEVMSGZFLZ-CYBMUJFWSA-N 1 0 331.412 3.226 20 10 EGCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000793610020 1309415123 /nfs/dbraw/zinc/41/51/23/1309415123.db2.gz NYVRNTOXXFAMAG-QAPCUYQASA-N 1 0 327.424 3.211 20 10 EGCDRO Oc1ccccc1C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000793620366 1309417886 /nfs/dbraw/zinc/41/78/86/1309417886.db2.gz OHECEBWSFIUROE-UHFFFAOYSA-N 1 0 347.256 3.477 20 10 EGCDRO CCCc1nc(C)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000794257790 1309494680 /nfs/dbraw/zinc/49/46/80/1309494680.db2.gz MYCZEIHTMNRVFN-UHFFFAOYSA-N 1 0 343.471 3.404 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794666017 1309566758 /nfs/dbraw/zinc/56/67/58/1309566758.db2.gz MIGREUKPHJINHY-MGPUTAFESA-N 1 0 333.472 3.378 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000795290249 1309716990 /nfs/dbraw/zinc/71/69/90/1309716990.db2.gz RJNZQHDCQRBMLR-OAHLLOKOSA-N 1 0 337.847 3.497 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000896198510 1309740195 /nfs/dbraw/zinc/74/01/95/1309740195.db2.gz PUTSOQHMFAPPIU-UHFFFAOYSA-N 1 0 327.428 3.262 20 10 EGCDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796498308 1310015308 /nfs/dbraw/zinc/01/53/08/1310015308.db2.gz SQEQTZMOWATJBR-RDJZCZTQSA-N 1 0 347.459 3.347 20 10 EGCDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796498307 1310016013 /nfs/dbraw/zinc/01/60/13/1310016013.db2.gz SQEQTZMOWATJBR-NVXWUHKLSA-N 1 0 347.459 3.347 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000896985697 1310121529 /nfs/dbraw/zinc/12/15/29/1310121529.db2.gz WKVGVPGDWRUHQR-OAHLLOKOSA-N 1 0 334.460 3.437 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)c2c1c(F)ccc2O ZINC000797102508 1310141454 /nfs/dbraw/zinc/14/14/54/1310141454.db2.gz PGCZTQITTVGSFK-DGCLKSJQSA-N 1 0 341.448 3.027 20 10 EGCDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000797116451 1310142694 /nfs/dbraw/zinc/14/26/94/1310142694.db2.gz ZSKLADDJHVBZSJ-AEFFLSMTSA-N 1 0 349.494 3.187 20 10 EGCDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc(Br)cc1O ZINC000897224121 1310228348 /nfs/dbraw/zinc/22/83/48/1310228348.db2.gz HTKGGQDIXPDMHT-UHFFFAOYSA-N 1 0 336.233 3.055 20 10 EGCDRO Cc1cc(Br)cc(CN(C)CCC[NH+]2CCCC2)c1O ZINC000798957386 1310463614 /nfs/dbraw/zinc/46/36/14/1310463614.db2.gz AXORQYHFDCBVPG-UHFFFAOYSA-N 1 0 341.293 3.381 20 10 EGCDRO CN(CCC[NH+]1CCCC1)Cc1cc(Br)ccc1O ZINC000798957840 1310464010 /nfs/dbraw/zinc/46/40/10/1310464010.db2.gz IFCPFCZLOKJYOF-UHFFFAOYSA-N 1 0 327.266 3.072 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1O ZINC000898142120 1310601044 /nfs/dbraw/zinc/60/10/44/1310601044.db2.gz IRXFNLLZLLHJHJ-RHSMWYFYSA-N 1 0 347.842 3.090 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC000800313062 1310731705 /nfs/dbraw/zinc/73/17/05/1310731705.db2.gz BSTAUVRYYKPSRR-NRFANRHFSA-N 1 0 347.462 3.445 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)N(C)C)cc1 ZINC000898448417 1310739682 /nfs/dbraw/zinc/73/96/82/1310739682.db2.gz RURFCYYPDUOAPW-DZGCQCFKSA-N 1 0 330.303 3.139 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)N(C)C)cc1 ZINC000898450377 1310741716 /nfs/dbraw/zinc/74/17/16/1310741716.db2.gz QOVRDWILMBYCBR-WOJBJXKFSA-N 1 0 345.531 3.294 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)N(C)C)cc1 ZINC000898450353 1310742139 /nfs/dbraw/zinc/74/21/39/1310742139.db2.gz QLCWTTILRZXPJU-HKUYNNGSSA-N 1 0 331.504 3.047 20 10 EGCDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000899133413 1310946830 /nfs/dbraw/zinc/94/68/30/1310946830.db2.gz LMZSYWWRGIXPQK-LJQANCHMSA-N 1 0 342.439 3.065 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C[C@@H]1C ZINC000824815678 1320287768 /nfs/dbraw/zinc/28/77/68/1320287768.db2.gz WREBUQHJYKGIIP-FZMZJTMJSA-N 1 0 328.250 3.320 20 10 EGCDRO COC[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000824576189 1320267103 /nfs/dbraw/zinc/26/71/03/1320267103.db2.gz CNXGBQXJRHETIE-HNNXBMFYSA-N 1 0 344.249 3.022 20 10 EGCDRO CCC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000824602046 1320268315 /nfs/dbraw/zinc/26/83/15/1320268315.db2.gz QGNCHQZSWHFWBP-UHFFFAOYSA-N 1 0 341.293 3.461 20 10 EGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000824596056 1320268344 /nfs/dbraw/zinc/26/83/44/1320268344.db2.gz FRYKARYCFSXPCH-IINYFYTJSA-N 1 0 346.265 3.314 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1Cl ZINC000825096510 1320308443 /nfs/dbraw/zinc/30/84/43/1320308443.db2.gz FXBJWXLJTCPSDU-UHFFFAOYSA-N 1 0 348.830 3.341 20 10 EGCDRO COCC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825090536 1320309021 /nfs/dbraw/zinc/30/90/21/1320309021.db2.gz XJOXAVNUNIHAHT-UHFFFAOYSA-N 1 0 348.830 3.229 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(O)c1 ZINC000827196617 1320433393 /nfs/dbraw/zinc/43/33/93/1320433393.db2.gz MGMLNAMNWIYIHW-AZUAARDMSA-N 1 0 341.451 3.389 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](CCOC)Cc2c(C)nn(C)c2C)cc1 ZINC000839125208 1320875524 /nfs/dbraw/zinc/87/55/24/1320875524.db2.gz GKHHEVYSKXLEQK-UHFFFAOYSA-N 1 0 344.503 3.142 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)c2ccc(OC)cc2)cc1 ZINC000839185063 1320889637 /nfs/dbraw/zinc/88/96/37/1320889637.db2.gz ONCKNXPFJMEJGP-LJQANCHMSA-N 1 0 342.483 3.407 20 10 EGCDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226257 1328525042 /nfs/dbraw/zinc/52/50/42/1328525042.db2.gz JGOPFFBCXOEEEH-NQIIRXRSSA-N 1 0 338.451 3.284 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1O ZINC000839540222 1320935211 /nfs/dbraw/zinc/93/52/11/1320935211.db2.gz IZAFYHKQMDPXCU-IAGOWNOFSA-N 1 0 328.387 3.378 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000802661321 1317023934 /nfs/dbraw/zinc/02/39/34/1317023934.db2.gz NJMXXWHMUVDHSY-QGZVFWFLSA-N 1 0 334.847 3.447 20 10 EGCDRO CN(C)c1cc(F)c(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1F ZINC000858088633 1328679543 /nfs/dbraw/zinc/67/95/43/1328679543.db2.gz MKRQVODIZRLKQU-UHFFFAOYSA-N 1 0 325.447 3.430 20 10 EGCDRO Cc1noc(C)c1C[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858141056 1328693244 /nfs/dbraw/zinc/69/32/44/1328693244.db2.gz IXUCKOKTRPEIQH-VIFPVBQESA-N 1 0 339.233 3.480 20 10 EGCDRO OCC[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000858144449 1328694546 /nfs/dbraw/zinc/69/45/46/1328694546.db2.gz QNWSOFZZSWUWCS-OAHLLOKOSA-N 1 0 336.229 3.368 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000806169175 1317467871 /nfs/dbraw/zinc/46/78/71/1317467871.db2.gz IQFVAYKLNMYFIZ-RYUDHWBXSA-N 1 0 330.266 3.378 20 10 EGCDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000806820890 1317528050 /nfs/dbraw/zinc/52/80/50/1317528050.db2.gz HRIJXTPHAUIIFH-UHFFFAOYSA-N 1 0 346.519 3.078 20 10 EGCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000807549372 1317570797 /nfs/dbraw/zinc/57/07/97/1317570797.db2.gz XASPCLUOONPXLM-IBGZPJMESA-N 1 0 346.519 3.159 20 10 EGCDRO C[C@H]([NH2+]CCCONC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000903239838 1317679084 /nfs/dbraw/zinc/67/90/84/1317679084.db2.gz PTYXQLJFOSKMRM-NSHDSACASA-N 1 0 328.384 3.028 20 10 EGCDRO COc1cc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC000903448310 1317702364 /nfs/dbraw/zinc/70/23/64/1317702364.db2.gz MXVRJNLPYNEHKJ-HNAYVOBHSA-N 1 0 342.487 3.110 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCc3ncccc32)N(C)C)cc1 ZINC000903448756 1317702547 /nfs/dbraw/zinc/70/25/47/1317702547.db2.gz SBQUTPZGBYMCRC-LEWJYISDSA-N 1 0 338.499 3.418 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1O ZINC000808680818 1317715774 /nfs/dbraw/zinc/71/57/74/1317715774.db2.gz PSOXYCXBYCBGEA-MLGOLLRUSA-N 1 0 349.862 3.271 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000808706920 1317719587 /nfs/dbraw/zinc/71/95/87/1317719587.db2.gz BEUIQQHKTPEVPW-YUTCNCBUSA-N 1 0 345.892 3.360 20 10 EGCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000809690917 1317864186 /nfs/dbraw/zinc/86/41/86/1317864186.db2.gz FPRMGGZXVZKFPC-CQSZACIVSA-N 1 0 326.824 3.146 20 10 EGCDRO COc1cc(Cl)cc(CN(CC[NH+](C)C)Cc2ccccn2)c1O ZINC000809741063 1317886089 /nfs/dbraw/zinc/88/60/89/1317886089.db2.gz OSQQJQBAWINXRT-UHFFFAOYSA-N 1 0 349.862 3.013 20 10 EGCDRO FC(F)CN1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000809756772 1317892195 /nfs/dbraw/zinc/89/21/95/1317892195.db2.gz JIHGCPUKTAXMOG-UHFFFAOYSA-N 1 0 337.458 3.450 20 10 EGCDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000809757989 1317894239 /nfs/dbraw/zinc/89/42/39/1317894239.db2.gz YXCBUXAAWXGUFU-HNNXBMFYSA-N 1 0 328.250 3.282 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC)cc1 ZINC000809779721 1317899559 /nfs/dbraw/zinc/89/95/59/1317899559.db2.gz XKHVDBVCDUDIHO-SFHVURJKSA-N 1 0 333.476 3.243 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1 ZINC000858288815 1328730498 /nfs/dbraw/zinc/73/04/98/1328730498.db2.gz DPYWWIAPJRAAQC-QUCCMNQESA-N 1 0 341.455 3.253 20 10 EGCDRO CC[C@H]([NH2+]CCNc1cnccn1)c1ccc(C(F)(F)F)cc1O ZINC000810223308 1317979602 /nfs/dbraw/zinc/97/96/02/1317979602.db2.gz KQHXCGKIPUDJAC-ZDUSSCGKSA-N 1 0 340.349 3.354 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1ccc(C(F)(F)F)cc1O ZINC000810229197 1317981152 /nfs/dbraw/zinc/98/11/52/1317981152.db2.gz UPIKYNXXRVJPNE-RDBSUJKOSA-N 1 0 344.377 3.366 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1ccc(C(F)(F)F)cc1O ZINC000810229194 1317981592 /nfs/dbraw/zinc/98/15/92/1317981592.db2.gz UPIKYNXXRVJPNE-IHRRRGAJSA-N 1 0 344.377 3.366 20 10 EGCDRO CC[C@@H]([NH2+]C[C@]1(OC)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810236947 1317983136 /nfs/dbraw/zinc/98/31/36/1317983136.db2.gz OOIOWHSCVPDKDG-UKRRQHHQSA-N 1 0 333.350 3.257 20 10 EGCDRO CC[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810241021 1317984398 /nfs/dbraw/zinc/98/43/98/1317984398.db2.gz KXVULCNUCFBREK-AWEZNQCLSA-N 1 0 347.377 3.383 20 10 EGCDRO COc1cc(O)c(C[N@@H+](Cc2ccccn2)CC(C)C)cc1OC ZINC000905744509 1317988952 /nfs/dbraw/zinc/98/89/52/1317988952.db2.gz IHUOHTQHWCXJIZ-UHFFFAOYSA-N 1 0 330.428 3.463 20 10 EGCDRO Fc1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000811514018 1318191951 /nfs/dbraw/zinc/19/19/51/1318191951.db2.gz ZYHOGWKLUSWVFA-LJQANCHMSA-N 1 0 330.447 3.427 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000813878577 1318648906 /nfs/dbraw/zinc/64/89/06/1318648906.db2.gz CFRVGODLQWEMKP-IHRRRGAJSA-N 1 0 338.423 3.390 20 10 EGCDRO COc1cccc(C[N@@H+]2CCN(c3cccc(F)c3)C[C@H]2C)c1O ZINC000814178687 1318692144 /nfs/dbraw/zinc/69/21/44/1318692144.db2.gz ZUDBGSPCAWMOAW-CQSZACIVSA-N 1 0 330.403 3.251 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(Cl)c[nH]3)C2)cc1C ZINC001021833001 1318704726 /nfs/dbraw/zinc/70/47/26/1318704726.db2.gz KZAGIRNZOUYNKN-GASCZTMLSA-N 1 0 347.846 3.036 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnnn2-c2ccccc2)cc1 ZINC000814297192 1318717394 /nfs/dbraw/zinc/71/73/94/1318717394.db2.gz DIKPPONEGNOOSA-UHFFFAOYSA-N 1 0 335.455 3.403 20 10 EGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000815153366 1318915999 /nfs/dbraw/zinc/91/59/99/1318915999.db2.gz OQGMZOPPFKHRPA-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C4CC4)CCC3)C2)cc1C ZINC001022502489 1318967726 /nfs/dbraw/zinc/96/77/26/1318967726.db2.gz SLJLPVTWJQZXOQ-HDICACEKSA-N 1 0 342.483 3.321 20 10 EGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815565413 1319016203 /nfs/dbraw/zinc/01/62/03/1319016203.db2.gz NKJQXAWWIKNMQL-SJORKVTESA-N 1 0 329.440 3.408 20 10 EGCDRO CO[C@@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCOC1 ZINC000815616286 1319028334 /nfs/dbraw/zinc/02/83/34/1319028334.db2.gz KOCXXWGTXHQPNZ-TZIWHRDSSA-N 1 0 341.451 3.461 20 10 EGCDRO CO[C@@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCOC1 ZINC000815616285 1319029360 /nfs/dbraw/zinc/02/93/60/1319029360.db2.gz KOCXXWGTXHQPNZ-PZJWPPBQSA-N 1 0 341.451 3.461 20 10 EGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000815633832 1319033095 /nfs/dbraw/zinc/03/30/95/1319033095.db2.gz XKBKHZWGACPXDJ-LSDHHAIUSA-N 1 0 332.488 3.474 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@]34C[C@H]3CCCC4)C2)cc1C ZINC001022682183 1319065969 /nfs/dbraw/zinc/06/59/69/1319065969.db2.gz PBZXBOATTIUCPR-DCXXXQMHSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC34CCCC4)C2)cc1C ZINC001022936235 1319179776 /nfs/dbraw/zinc/17/97/76/1319179776.db2.gz FPIICGYUCIGMQJ-FGTMMUONSA-N 1 0 342.483 3.321 20 10 EGCDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)C ZINC000816637972 1319198910 /nfs/dbraw/zinc/19/89/10/1319198910.db2.gz VNVKNFSJRNGWHI-HNNXBMFYSA-N 1 0 345.409 3.022 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc2ccccc2c1O ZINC000817585488 1319406651 /nfs/dbraw/zinc/40/66/51/1319406651.db2.gz FEYZCJKQMSXJCR-DZKIICNBSA-N 1 0 326.440 3.488 20 10 EGCDRO COc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(OC)c1 ZINC000817938025 1319467070 /nfs/dbraw/zinc/46/70/70/1319467070.db2.gz BRNPMBVXZCQYNB-IFXJQAMLSA-N 1 0 343.471 3.120 20 10 EGCDRO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817942053 1319470393 /nfs/dbraw/zinc/47/03/93/1319470393.db2.gz WGHMJOJUGMHDLE-SECBINFHSA-N 1 0 347.684 3.458 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)c1O ZINC000817954350 1319474472 /nfs/dbraw/zinc/47/44/72/1319474472.db2.gz YNZKKFHAVRFQOY-CYBMUJFWSA-N 1 0 346.862 3.332 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)c1O ZINC000817954355 1319475496 /nfs/dbraw/zinc/47/54/96/1319475496.db2.gz YNZKKFHAVRFQOY-ZDUSSCGKSA-N 1 0 346.862 3.332 20 10 EGCDRO COc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc(OC)c1OC ZINC000817956295 1319477054 /nfs/dbraw/zinc/47/70/54/1319477054.db2.gz VWNJTMHMFJMTLK-ZDUSSCGKSA-N 1 0 330.428 3.188 20 10 EGCDRO CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817962381 1319478598 /nfs/dbraw/zinc/47/85/98/1319478598.db2.gz IYDULDZULBHKNO-CABCVRRESA-N 1 0 339.911 3.345 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817969511 1319480876 /nfs/dbraw/zinc/48/08/76/1319480876.db2.gz VRZHQLDIFZVWPV-ZJUUUORDSA-N 1 0 331.229 3.087 20 10 EGCDRO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)c(F)cc1[O-] ZINC000817980621 1319484215 /nfs/dbraw/zinc/48/42/15/1319484215.db2.gz LVOVGADQAUHTLE-QWRGUYRKSA-N 1 0 345.256 3.477 20 10 EGCDRO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817976423 1319484274 /nfs/dbraw/zinc/48/42/74/1319484274.db2.gz LVGVYLPAHYXWQZ-NXEZZACHSA-N 1 0 333.245 3.462 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(OC)c3O)C2)cc1 ZINC000818220365 1319521672 /nfs/dbraw/zinc/52/16/72/1319521672.db2.gz JRMBQDIJQYJFBX-HNNXBMFYSA-N 1 0 342.439 3.026 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)CCCc2ccccc2)cc1C ZINC000818225184 1319522712 /nfs/dbraw/zinc/52/27/12/1319522712.db2.gz PEMPPWZSVDRORV-UHFFFAOYSA-N 1 0 340.467 3.232 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC(OC(C)(C)C)C3)C2)cc1 ZINC000818341800 1319531150 /nfs/dbraw/zinc/53/11/50/1319531150.db2.gz GQXNGWYAGOFEKH-LYGPFTKASA-N 1 0 332.488 3.457 20 10 EGCDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000916570796 1319675590 /nfs/dbraw/zinc/67/55/90/1319675590.db2.gz VTBQSRXHNLUHAB-AWEZNQCLSA-N 1 0 326.400 3.401 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2COCCO2)cc1 ZINC000916840053 1319711976 /nfs/dbraw/zinc/71/19/76/1319711976.db2.gz ZTOMEBYSEZAMOX-NRFANRHFSA-N 1 0 340.467 3.218 20 10 EGCDRO CN(C)c1ccc(C[N@H+](CC(=O)N2CCCCCC2)C2CC2)cc1 ZINC000917074017 1319749709 /nfs/dbraw/zinc/74/97/09/1319749709.db2.gz NDICMPLSJVHPRQ-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO COCC(C)(C)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000819892687 1319794740 /nfs/dbraw/zinc/79/47/40/1319794740.db2.gz ADWICTYLYHLUOX-UHFFFAOYSA-N 1 0 328.456 3.088 20 10 EGCDRO CCCC(=O)NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000917448862 1319813002 /nfs/dbraw/zinc/81/30/02/1319813002.db2.gz IFLYUDAEKCCNRR-UHFFFAOYSA-N 1 0 326.440 3.426 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000918229109 1319935681 /nfs/dbraw/zinc/93/56/81/1319935681.db2.gz XVKJUBJAQZQMAE-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO CC[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023852288 1319988115 /nfs/dbraw/zinc/98/81/15/1319988115.db2.gz CXFJXQZUZXWCRD-QAPCUYQASA-N 1 0 332.488 3.378 20 10 EGCDRO CCOC(=O)CN(Cc1ccccc1O)Cc1cc(C)c(C)cc1O ZINC000822511435 1320091407 /nfs/dbraw/zinc/09/14/07/1320091407.db2.gz FUMNDNNXKSTXIO-UHFFFAOYSA-N 1 0 343.423 3.280 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000824086523 1320227499 /nfs/dbraw/zinc/22/74/99/1320227499.db2.gz XOWBCRWWLUHGAE-UYAOXDASSA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000824085972 1320227864 /nfs/dbraw/zinc/22/78/64/1320227864.db2.gz ROJQDOKRMBSHAC-JMVFIXPQSA-N 1 0 343.515 3.303 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CSc3ccccc32)cc1OC ZINC000824484035 1320261437 /nfs/dbraw/zinc/26/14/37/1320261437.db2.gz YNVKHDBJIVMQJD-ZDUSSCGKSA-N 1 0 331.437 3.389 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@](C)(OC)c2ccccc2)cc1OC ZINC000824780566 1320284889 /nfs/dbraw/zinc/28/48/89/1320284889.db2.gz URXGHQHPHZMHAL-IBGZPJMESA-N 1 0 331.412 3.061 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c1 ZINC000825117314 1320312031 /nfs/dbraw/zinc/31/20/31/1320312031.db2.gz ACVCERJEKSLHAT-KBAYOESNSA-N 1 0 329.444 3.184 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000825130525 1320314003 /nfs/dbraw/zinc/31/40/03/1320314003.db2.gz BOEYYKLYAOSPQR-UHFFFAOYSA-N 1 0 346.858 3.480 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1Cl ZINC000825357316 1320331646 /nfs/dbraw/zinc/33/16/46/1320331646.db2.gz CHHHBTWFTVCZPV-IAGOWNOFSA-N 1 0 338.879 3.087 20 10 EGCDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@H]1CCCC[C@@H]1O ZINC000825446042 1320338618 /nfs/dbraw/zinc/33/86/18/1320338618.db2.gz HEYRALYDWIWUAT-RISCZKNCSA-N 1 0 328.250 3.138 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000825527068 1320345234 /nfs/dbraw/zinc/34/52/34/1320345234.db2.gz ZDYFQMUUVNENAM-ZFWWWQNUSA-N 1 0 326.234 3.202 20 10 EGCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(Br)cc1O ZINC000825885410 1320368428 /nfs/dbraw/zinc/36/84/28/1320368428.db2.gz FYTXGAILSZIIHD-SWLSCSKDSA-N 1 0 339.277 3.213 20 10 EGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(Br)cc1O ZINC000825900764 1320369922 /nfs/dbraw/zinc/36/99/22/1320369922.db2.gz QKCSWCJKGLQYIH-SWLSCSKDSA-N 1 0 339.277 3.213 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000826809955 1320405600 /nfs/dbraw/zinc/40/56/00/1320405600.db2.gz NBMMYGCJYXKUEI-UHFFFAOYSA-N 1 0 338.448 3.136 20 10 EGCDRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)c(C)n1-c1cccc(C)c1 ZINC000837303468 1320594673 /nfs/dbraw/zinc/59/46/73/1320594673.db2.gz RFLIHLNRZIXKQO-UHFFFAOYSA-N 1 0 325.456 3.132 20 10 EGCDRO COCC1(C)C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000839143463 1320879568 /nfs/dbraw/zinc/87/95/68/1320879568.db2.gz LNEUQDOQORIQRX-UHFFFAOYSA-N 1 0 327.424 3.440 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)c2ccccc2)c1 ZINC000839540182 1320934772 /nfs/dbraw/zinc/93/47/72/1320934772.db2.gz SKGRGBIRJZDQEE-KBPBESRZSA-N 1 0 328.412 3.103 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c1O ZINC000840159560 1321041354 /nfs/dbraw/zinc/04/13/54/1321041354.db2.gz IVPGAWAUTFHZDJ-IBGZPJMESA-N 1 0 335.444 3.263 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000840912194 1321176351 /nfs/dbraw/zinc/17/63/51/1321176351.db2.gz JGWKKEXCTYYGKH-HXUWFJFHSA-N 1 0 332.488 3.221 20 10 EGCDRO Cc1cnc(N2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)s1 ZINC000840918687 1321177636 /nfs/dbraw/zinc/17/76/36/1321177636.db2.gz YMHZQFOGMLCHES-UHFFFAOYSA-N 1 0 330.501 3.148 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNC(=O)c1ccccc1Cl ZINC000840932970 1321180391 /nfs/dbraw/zinc/18/03/91/1321180391.db2.gz AAYSZZWFDBUBJI-UHFFFAOYSA-N 1 0 345.874 3.234 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)cc1C ZINC000840967669 1321189738 /nfs/dbraw/zinc/18/97/38/1321189738.db2.gz QPBFXAPCKWQTEE-KRWDZBQOSA-N 1 0 328.387 3.043 20 10 EGCDRO CC(C)[C@H]1[N@H+](Cc2ccc(N3CCOCC3)cc2)CC12CCOCC2 ZINC000840968572 1321190134 /nfs/dbraw/zinc/19/01/34/1321190134.db2.gz AIWNKZJXDMBZFA-HXUWFJFHSA-N 1 0 344.499 3.160 20 10 EGCDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000840976645 1321192620 /nfs/dbraw/zinc/19/26/20/1321192620.db2.gz PCBQBGQRIQVWRY-INIZCTEOSA-N 1 0 339.483 3.141 20 10 EGCDRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841033958 1321205465 /nfs/dbraw/zinc/20/54/65/1321205465.db2.gz CWMVZPQAUPBDTK-ZBFHGGJFSA-N 1 0 340.414 3.158 20 10 EGCDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841036963 1321205702 /nfs/dbraw/zinc/20/57/02/1321205702.db2.gz XIAJOCRUFADSTD-HNNXBMFYSA-N 1 0 325.456 3.381 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000841041376 1321207516 /nfs/dbraw/zinc/20/75/16/1321207516.db2.gz HOSGXVCMUCJAMC-SQWLQELKSA-N 1 0 329.410 3.463 20 10 EGCDRO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841043686 1321208356 /nfs/dbraw/zinc/20/83/56/1321208356.db2.gz QCEOAQFDMVTVRB-HXUWFJFHSA-N 1 0 349.482 3.241 20 10 EGCDRO CC1CC[NH+](C2CCC(NC(=O)Nc3ccc(N)cc3)CC2)CC1 ZINC000841298838 1321249056 /nfs/dbraw/zinc/24/90/56/1321249056.db2.gz RVNRJWNXJIIPTK-UHFFFAOYSA-N 1 0 330.476 3.433 20 10 EGCDRO C[NH2+]Cc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000841314558 1321254447 /nfs/dbraw/zinc/25/44/47/1321254447.db2.gz XPBHVMRARQSRIU-UHFFFAOYSA-N 1 0 326.444 3.102 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000841332111 1321258401 /nfs/dbraw/zinc/25/84/01/1321258401.db2.gz MBKWWHQQEDTFCB-UHFFFAOYSA-N 1 0 325.412 3.440 20 10 EGCDRO CN(C)c1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000841652654 1321291917 /nfs/dbraw/zinc/29/19/17/1321291917.db2.gz FFHRXEGCKGRXLV-LJQANCHMSA-N 1 0 340.471 3.032 20 10 EGCDRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Cl)cc1O ZINC000841744446 1321305218 /nfs/dbraw/zinc/30/52/18/1321305218.db2.gz HOHYTXFBKCICFH-ZDUSSCGKSA-N 1 0 347.846 3.128 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(Cl)cc1O ZINC000841746060 1321305562 /nfs/dbraw/zinc/30/55/62/1321305562.db2.gz BVLRYMABUVIUCW-OLZOCXBDSA-N 1 0 332.831 3.401 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841745014 1321305902 /nfs/dbraw/zinc/30/59/02/1321305902.db2.gz MJLUGFQMNRKCIC-RISCZKNCSA-N 1 0 339.794 3.275 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(=O)NCc1cccs1 ZINC000842909461 1321448514 /nfs/dbraw/zinc/44/85/14/1321448514.db2.gz QZMJLHPCVMJKLX-MLGOLLRUSA-N 1 0 348.468 3.208 20 10 EGCDRO [NH3+]C[C@@H]1CCCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000843046737 1321461180 /nfs/dbraw/zinc/46/11/80/1321461180.db2.gz ADJUJZOXEPXRGG-SFHVURJKSA-N 1 0 326.440 3.284 20 10 EGCDRO CC[C@H]1CN(Cc2cc(Br)cc(C)c2O)CC[C@H]1[NH3+] ZINC000843052339 1321462030 /nfs/dbraw/zinc/46/20/30/1321462030.db2.gz OWDNYFHGWXLLFW-SMDDNHRTSA-N 1 0 327.266 3.022 20 10 EGCDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000843055559 1321462811 /nfs/dbraw/zinc/46/28/11/1321462811.db2.gz LAMXCLNZILSAGZ-SFHVURJKSA-N 1 0 326.440 3.155 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125935 1321473902 /nfs/dbraw/zinc/47/39/02/1321473902.db2.gz DAAGTQYIECTSOP-CHWSQXEVSA-N 1 0 326.843 3.396 20 10 EGCDRO Cc1cc(C(=O)N(C)C2(C[NH3+])CCC2)c(C)n1-c1ccc(F)cc1 ZINC000843485595 1321522442 /nfs/dbraw/zinc/52/24/42/1321522442.db2.gz SCXSANDCYGODTO-UHFFFAOYSA-N 1 0 329.419 3.187 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)[C@@H](C)CO1 ZINC000844390826 1321598552 /nfs/dbraw/zinc/59/85/52/1321598552.db2.gz KOJCQQUAGYMMHT-LPHOPBHVSA-N 1 0 332.488 3.301 20 10 EGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C[C@H]1C ZINC000845971092 1321759954 /nfs/dbraw/zinc/75/99/54/1321759954.db2.gz GZXIVNLITLGHBA-ORIJERBGSA-N 1 0 335.444 3.419 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000846145308 1321771583 /nfs/dbraw/zinc/77/15/83/1321771583.db2.gz NYUYTPMEVPOECP-NEPJUHHUSA-N 1 0 329.400 3.303 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1O ZINC000846146511 1321771602 /nfs/dbraw/zinc/77/16/02/1321771602.db2.gz SBRPMUBCEFCGRB-OAHLLOKOSA-N 1 0 342.439 3.088 20 10 EGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846151166 1321771819 /nfs/dbraw/zinc/77/18/19/1321771819.db2.gz UTUYQAILPWXAFC-DKIAMSCKSA-N 1 0 325.474 3.131 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1O ZINC000846150667 1321771880 /nfs/dbraw/zinc/77/18/80/1321771880.db2.gz LSMWHWVFQJSNOD-ZDUSSCGKSA-N 1 0 346.402 3.011 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000846167057 1321773723 /nfs/dbraw/zinc/77/37/23/1321773723.db2.gz RXTYPFNBDRXMKO-ROOHIHILSA-N 1 0 345.414 3.357 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846173509 1321774550 /nfs/dbraw/zinc/77/45/50/1321774550.db2.gz SDRYCAROPSXPTQ-KSSFIOAISA-N 1 0 344.455 3.363 20 10 EGCDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000846209713 1321776229 /nfs/dbraw/zinc/77/62/29/1321776229.db2.gz SMKMMWBPQVBWRO-HZPDHXFCSA-N 1 0 347.478 3.335 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)n1-c1ccccn1 ZINC000846694502 1321801615 /nfs/dbraw/zinc/80/16/15/1321801615.db2.gz PVPFOKWEKJNUAR-RDTXWAMCSA-N 1 0 340.471 3.079 20 10 EGCDRO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848242324 1321946048 /nfs/dbraw/zinc/94/60/48/1321946048.db2.gz CCHUKRUXHKREAG-OAHLLOKOSA-N 1 0 344.842 3.184 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848392826 1321957275 /nfs/dbraw/zinc/95/72/75/1321957275.db2.gz HRSFJBNYFLWSBA-TZIWHRDSSA-N 1 0 341.499 3.025 20 10 EGCDRO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000848521537 1321968148 /nfs/dbraw/zinc/96/81/48/1321968148.db2.gz POTZSLKPEVCYIK-AWEZNQCLSA-N 1 0 328.485 3.189 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000848899769 1322037072 /nfs/dbraw/zinc/03/70/72/1322037072.db2.gz KAWKFHXAIMLUON-QGZVFWFLSA-N 1 0 338.451 3.093 20 10 EGCDRO COc1cc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850281617 1322222094 /nfs/dbraw/zinc/22/20/94/1322222094.db2.gz LQDMEATZSGRKID-OAHLLOKOSA-N 1 0 348.487 3.046 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccnn1CC1CC1 ZINC000850328100 1322229341 /nfs/dbraw/zinc/22/93/41/1322229341.db2.gz QPCKRHZRSINGPQ-INIZCTEOSA-N 1 0 326.488 3.388 20 10 EGCDRO Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000850386686 1322237245 /nfs/dbraw/zinc/23/72/45/1322237245.db2.gz LKBWYVLDEAPVJD-LJQANCHMSA-N 1 0 342.414 3.145 20 10 EGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc(Cl)ccc1O ZINC000850531792 1322262229 /nfs/dbraw/zinc/26/22/29/1322262229.db2.gz NOZMDNHYXFKHFT-LBPRGKRZSA-N 1 0 345.892 3.444 20 10 EGCDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000850555726 1322266290 /nfs/dbraw/zinc/26/62/90/1322266290.db2.gz PTEBXVSTFCJLBV-WCQYABFASA-N 1 0 327.266 3.290 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000850556741 1322266369 /nfs/dbraw/zinc/26/63/69/1322266369.db2.gz JBAPUGWPTPVTBS-JXFKEZNVSA-N 1 0 331.504 3.047 20 10 EGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000850568399 1322269597 /nfs/dbraw/zinc/26/95/97/1322269597.db2.gz WXBRBCONRLVPBQ-UXHICEINSA-N 1 0 346.515 3.331 20 10 EGCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCCO2)Nc1ccc(F)c(F)c1 ZINC000921487688 1322327422 /nfs/dbraw/zinc/32/74/22/1322327422.db2.gz TWVWGGSHXKSKAG-UHFFFAOYSA-N 1 0 332.350 3.018 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(N2CCOCC2)cc1 ZINC000921591049 1322360389 /nfs/dbraw/zinc/36/03/89/1322360389.db2.gz GBRYKHYPCYYXCB-MRXNPFEDSA-N 1 0 338.451 3.309 20 10 EGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921687794 1322378525 /nfs/dbraw/zinc/37/85/25/1322378525.db2.gz KTPXUSVOKLKVNF-UHFFFAOYSA-N 1 0 328.368 3.218 20 10 EGCDRO COCCOCc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922140563 1322464097 /nfs/dbraw/zinc/46/40/97/1322464097.db2.gz JWXBJRZMCWCMED-UHFFFAOYSA-N 1 0 341.451 3.464 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)ccc1OC ZINC000922893031 1322643201 /nfs/dbraw/zinc/64/32/01/1322643201.db2.gz FSHYJPBBHSSJLS-LJQANCHMSA-N 1 0 331.460 3.452 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C3CC=CC3)C2)cc1C ZINC001023904464 1323014038 /nfs/dbraw/zinc/01/40/38/1323014038.db2.gz BRKICOLVEWVGNX-SFHVURJKSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CC3(C)C)C2)cc1C ZINC001023941464 1323045075 /nfs/dbraw/zinc/04/50/75/1323045075.db2.gz NGTGRVOPHVXHRI-QZTJIDSGSA-N 1 0 344.499 3.378 20 10 EGCDRO CN(C)c1ccc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1 ZINC000851629791 1323065629 /nfs/dbraw/zinc/06/56/29/1323065629.db2.gz XUKGBUZABXUHCX-GOSISDBHSA-N 1 0 337.467 3.061 20 10 EGCDRO CC[C@@H](F)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001024099116 1323130831 /nfs/dbraw/zinc/13/08/31/1323130831.db2.gz OPNAHMNZLPVAKX-DLBZAZTESA-N 1 0 336.451 3.080 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000925079996 1323269579 /nfs/dbraw/zinc/26/95/79/1323269579.db2.gz JWCLFYKAFRZDJG-MRXNPFEDSA-N 1 0 335.455 3.493 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(C)(C)F)C[C@H]32)cc1C ZINC001026168808 1324636654 /nfs/dbraw/zinc/63/66/54/1324636654.db2.gz KZLODNKZZIUOJC-GVDBMIGSSA-N 1 0 348.462 3.078 20 10 EGCDRO CCCC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)[C@H]2C1 ZINC001026174794 1324643080 /nfs/dbraw/zinc/64/30/80/1324643080.db2.gz NVJCONPLWHTLBG-BZSNNMDCSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C=C(C)C)C[C@@H]32)cc1C ZINC001026184778 1324652453 /nfs/dbraw/zinc/65/24/53/1324652453.db2.gz LBOQZRSLWBOIGQ-GBESFXJTSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1C ZINC001026642088 1324942718 /nfs/dbraw/zinc/94/27/18/1324942718.db2.gz COQABCMOKHDFIP-KRWDZBQOSA-N 1 0 330.472 3.132 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853555853 1325122495 /nfs/dbraw/zinc/12/24/95/1325122495.db2.gz QUUCTOFSIXUAOD-RHSMWYFYSA-N 1 0 330.472 3.099 20 10 EGCDRO CCOc1cncc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000857038730 1325560365 /nfs/dbraw/zinc/56/03/65/1325560365.db2.gz CPWOZPLUKZEBEE-UHFFFAOYSA-N 1 0 329.444 3.057 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1CO ZINC000857060994 1325565639 /nfs/dbraw/zinc/56/56/39/1325565639.db2.gz HSYSPIJYFYCPMI-APWZRJJASA-N 1 0 341.451 3.422 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c(C)cccc3O)c2)CC1 ZINC000860913678 1329369438 /nfs/dbraw/zinc/36/94/38/1329369438.db2.gz FOHIWBSBYBSCNJ-UHFFFAOYSA-N 1 0 339.439 3.095 20 10 EGCDRO CCN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000862025350 1329455814 /nfs/dbraw/zinc/45/58/14/1329455814.db2.gz KFPCFIVCLDMYTB-KRWDZBQOSA-N 1 0 331.504 3.366 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cnc(C2CC2)o1)C[C@@H]1CCCO1 ZINC000862213459 1329466371 /nfs/dbraw/zinc/46/63/71/1329466371.db2.gz QEBFRFFIGOZODS-INIZCTEOSA-N 1 0 328.412 3.439 20 10 EGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862249461 1329470800 /nfs/dbraw/zinc/47/08/00/1329470800.db2.gz PWSHCAOSBVQQBY-CYBMUJFWSA-N 1 0 341.293 3.318 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)Cc2ccccc21 ZINC000862537719 1329493904 /nfs/dbraw/zinc/49/39/04/1329493904.db2.gz FWDFDXSESPVLJK-AWEZNQCLSA-N 1 0 331.799 3.318 20 10 EGCDRO Fc1cc(C[NH2+][C@@H]2CCCc3ncccc32)ccc1N1CCOCC1 ZINC000866240203 1330083827 /nfs/dbraw/zinc/08/38/27/1330083827.db2.gz ZIGJRZWCAWAWDV-LJQANCHMSA-N 1 0 341.430 3.225 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000866376844 1330103765 /nfs/dbraw/zinc/10/37/65/1330103765.db2.gz CMZNTQJNOBFNQR-TTYHFUOFSA-N 1 0 342.483 3.069 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866434287 1330111613 /nfs/dbraw/zinc/11/16/13/1330111613.db2.gz KJAXBCSCNQVVMA-LSDHHAIUSA-N 1 0 341.381 3.188 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866434281 1330111622 /nfs/dbraw/zinc/11/16/22/1330111622.db2.gz KJAXBCSCNQVVMA-CABCVRRESA-N 1 0 341.381 3.188 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c(O)c1 ZINC000866436729 1330112203 /nfs/dbraw/zinc/11/22/03/1330112203.db2.gz RAOLTDDXSXPBQX-YPMHNXCESA-N 1 0 328.338 3.055 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866499743 1330118879 /nfs/dbraw/zinc/11/88/79/1330118879.db2.gz NALLTQOKUOJSKH-ZKYQVNSYSA-N 1 0 332.341 3.264 20 10 EGCDRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1O ZINC000868337591 1330272003 /nfs/dbraw/zinc/27/20/03/1330272003.db2.gz SKSXXCNJSOKGMY-CQSZACIVSA-N 1 0 331.460 3.159 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)C2)cc1C ZINC000969448930 1336212043 /nfs/dbraw/zinc/21/20/43/1336212043.db2.gz MGKDBQLQUZJDFY-BMQTXXJKSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CC2CC2)cc1C ZINC001036924255 1343867279 /nfs/dbraw/zinc/86/72/79/1343867279.db2.gz RADWBXRQEMMQIW-MSOLQXFVSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C(C)(F)F)cc1C ZINC001036926234 1343869214 /nfs/dbraw/zinc/86/92/14/1343869214.db2.gz VHOBRBUMZIKESZ-LSDHHAIUSA-N 1 0 340.414 3.033 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)c2ccco2)cc1C ZINC001036927901 1343870677 /nfs/dbraw/zinc/87/06/77/1343870677.db2.gz SIVJYODQGICEDO-IRXDYDNUSA-N 1 0 342.439 3.285 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C(C)(C)F)C2)cc1C ZINC001047672966 1347324912 /nfs/dbraw/zinc/32/49/12/1347324912.db2.gz QSKXEGLPOQOETA-GDBMZVCRSA-N 1 0 336.451 3.078 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C)cc1C ZINC001054341835 1349321510 /nfs/dbraw/zinc/32/15/10/1349321510.db2.gz SKQPJBOGKINQCB-LPHOPBHVSA-N 1 0 338.451 3.254 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C)cc1C ZINC001054366508 1349336971 /nfs/dbraw/zinc/33/69/71/1349336971.db2.gz MATYOKPJPIQSCV-RHSMWYFYSA-N 1 0 344.480 3.315 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC3CC3)CC[C@@H]2C)cc1C ZINC001072157364 1355158061 /nfs/dbraw/zinc/15/80/61/1355158061.db2.gz SRCDNSLUHSXXNH-KXBFYZLASA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C3CC3)[C@H]2C)cc1C ZINC001074587684 1356213221 /nfs/dbraw/zinc/21/32/21/1356213221.db2.gz HHILOODUMSSBJH-MPGHIAIKSA-N 1 0 330.472 3.129 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC(C)C3)[C@H]2C)cc1C ZINC001074596776 1356214441 /nfs/dbraw/zinc/21/44/41/1356214441.db2.gz VBXBLSOJAVQKCD-NAIXVUCJSA-N 1 0 330.472 3.129 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC3CC3)C23CCC3)cc1C ZINC001078531290 1356998620 /nfs/dbraw/zinc/99/86/20/1356998620.db2.gz JYNIJHYKUOSSNJ-OALUTQOASA-N 1 0 342.483 3.321 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001183366213 1387303773 /nfs/dbraw/zinc/30/37/73/1387303773.db2.gz PBBLTIIBEKKBQP-SJLPKXTDSA-N 1 0 332.488 3.335 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccc(C)o3)C2)cc1C ZINC001086022903 1358969682 /nfs/dbraw/zinc/96/96/82/1358969682.db2.gz BNSJGKCMLYIGOA-CALCHBBNSA-N 1 0 342.439 3.203 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086203157 1359025380 /nfs/dbraw/zinc/02/53/80/1359025380.db2.gz IXINKSXMNGBGQN-ZJPYXAASSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(C)C)C2)cc1C ZINC001086238342 1359035971 /nfs/dbraw/zinc/03/59/71/1359035971.db2.gz HNVZTCQVRSBLQZ-RDGPPVDQSA-N 1 0 344.499 3.280 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CC3(C)C)C2)cc1C ZINC001090987320 1360969526 /nfs/dbraw/zinc/96/95/26/1360969526.db2.gz XENHSIPZMNQLKU-OFLPRAFFSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cc(C)co3)C2)cc1C ZINC001091194290 1361003811 /nfs/dbraw/zinc/00/38/11/1361003811.db2.gz OWDJDDPBJASETP-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC34CCC4)C2)cc1C ZINC001091258992 1361024805 /nfs/dbraw/zinc/02/48/05/1361024805.db2.gz AJZOVKPFYYQILQ-ABHNRTSZSA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H](C)C(C)C)C2)cc1C ZINC001100725043 1364236455 /nfs/dbraw/zinc/23/64/55/1364236455.db2.gz KIUINBWVURKHDD-FAEJEUNOSA-N 1 0 332.488 3.280 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC001324964365 1387857449 /nfs/dbraw/zinc/85/74/49/1387857449.db2.gz GQRXTRDCSSTFOW-NIKGAXFTSA-N 1 0 327.476 3.172 20 10 EGCDRO CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194368618 1368245810 /nfs/dbraw/zinc/24/58/10/1368245810.db2.gz VMBJTOWWAPWZLD-BBRMVZONSA-N 1 0 345.447 3.041 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186370248 1387930081 /nfs/dbraw/zinc/93/00/81/1387930081.db2.gz RKGHIAJPSMWQKH-KSSFIOAISA-N 1 0 330.472 3.090 20 10 EGCDRO N=c1cc(C[NH3+])ccn1C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195280285 1368413898 /nfs/dbraw/zinc/41/38/98/1368413898.db2.gz YUKUWFBDYQZAFS-MQNWJHRBSA-N 1 0 347.378 3.236 20 10 EGCDRO Oc1ccccc1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001203555476 1370167446 /nfs/dbraw/zinc/16/74/46/1370167446.db2.gz ARAVUJOQGSRHFW-UHFFFAOYSA-N 1 0 325.437 3.324 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2ccccc2O)Cc2cnn(CC3CC3)c21 ZINC001203552676 1370167495 /nfs/dbraw/zinc/16/74/95/1370167495.db2.gz QARDRJQLTSMTLB-SFHVURJKSA-N 1 0 341.455 3.135 20 10 EGCDRO O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccccc3O)CC2)N1 ZINC001203552706 1370167613 /nfs/dbraw/zinc/16/76/13/1370167613.db2.gz RCMQZKTYHHCJJU-GOSISDBHSA-N 1 0 336.435 3.031 20 10 EGCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001203592585 1370181037 /nfs/dbraw/zinc/18/10/37/1370181037.db2.gz HKBBAYFJGAIHBY-QGZVFWFLSA-N 1 0 349.471 3.056 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c1O ZINC001203596583 1370182646 /nfs/dbraw/zinc/18/26/46/1370182646.db2.gz KAJHGVXCFKYNNF-QRTARXTBSA-N 1 0 347.455 3.343 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1O ZINC001203601827 1370183805 /nfs/dbraw/zinc/18/38/05/1370183805.db2.gz MPOXQNZCVANUSE-HKUYNNGSSA-N 1 0 338.451 3.107 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c1O ZINC001203604040 1370184922 /nfs/dbraw/zinc/18/49/22/1370184922.db2.gz ZUTWSTNJVNAVFY-UHFFFAOYSA-N 1 0 327.380 3.078 20 10 EGCDRO COc1ccc(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)c(O)c1 ZINC001203628050 1370192917 /nfs/dbraw/zinc/19/29/17/1370192917.db2.gz WQIOCUNCSYFKBG-MRXNPFEDSA-N 1 0 326.440 3.280 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)[C@](C)(CO)C1 ZINC001203635877 1370196233 /nfs/dbraw/zinc/19/62/33/1370196233.db2.gz JRZWFAFOKJBTFA-HNNXBMFYSA-N 1 0 328.250 3.138 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001203648255 1370199678 /nfs/dbraw/zinc/19/96/78/1370199678.db2.gz GQSQSYTWCSFHRM-UHFFFAOYSA-N 1 0 335.810 3.292 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001203649725 1370200186 /nfs/dbraw/zinc/20/01/86/1370200186.db2.gz DESPJFLDLMPYFM-UHFFFAOYSA-N 1 0 334.213 3.419 20 10 EGCDRO COC[C@H]1COCCC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203657240 1370204364 /nfs/dbraw/zinc/20/43/64/1370204364.db2.gz ARCRDAVSBCUMKQ-HNNXBMFYSA-N 1 0 339.863 3.311 20 10 EGCDRO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657980 1370205289 /nfs/dbraw/zinc/20/52/89/1370205289.db2.gz PMOLVIQJYSSDFN-SFHVURJKSA-N 1 0 336.863 3.269 20 10 EGCDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203659353 1370205729 /nfs/dbraw/zinc/20/57/29/1370205729.db2.gz SLKLQLJLDQSRCM-GOSISDBHSA-N 1 0 336.863 3.413 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c1 ZINC001203675104 1370212138 /nfs/dbraw/zinc/21/21/38/1370212138.db2.gz MXEJKAKCKSXQNA-HNNXBMFYSA-N 1 0 335.350 3.332 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)Cc1ccc(O)c(O)c1 ZINC001203882209 1370298008 /nfs/dbraw/zinc/29/80/08/1370298008.db2.gz GEEPLYZASXLOTA-QFBILLFUSA-N 1 0 340.467 3.440 20 10 EGCDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203933159 1370320424 /nfs/dbraw/zinc/32/04/24/1370320424.db2.gz IGAUNKBLFAJUSA-GOSISDBHSA-N 1 0 332.488 3.018 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001203937490 1370321955 /nfs/dbraw/zinc/32/19/55/1370321955.db2.gz SAPUYWSDMHSBIN-UHFFFAOYSA-N 1 0 333.476 3.099 20 10 EGCDRO COc1cccc(CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1 ZINC001203936222 1370322296 /nfs/dbraw/zinc/32/22/96/1370322296.db2.gz BGDXCMHHQRNKEM-UHFFFAOYSA-N 1 0 339.483 3.079 20 10 EGCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204241189 1370419827 /nfs/dbraw/zinc/41/98/27/1370419827.db2.gz ZRBRHJWUIUTWDD-HXUWFJFHSA-N 1 0 326.440 3.291 20 10 EGCDRO CC[C@@H]1[N@H+](Cc2ccc(N3CCCC3)cc2)CCC[C@]12CCC(=O)N2 ZINC001204322703 1370443913 /nfs/dbraw/zinc/44/39/13/1370443913.db2.gz MNHNRRRXMCCQLC-FPOVZHCZSA-N 1 0 341.499 3.310 20 10 EGCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001115917718 1370805322 /nfs/dbraw/zinc/80/53/22/1370805322.db2.gz CJKIPGXUPVEZQV-IBGZPJMESA-N 1 0 331.504 3.414 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001116039786 1370824981 /nfs/dbraw/zinc/82/49/81/1370824981.db2.gz HZJAHVIIUXNXNH-IAGOWNOFSA-N 1 0 333.476 3.187 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)cc1 ZINC001116824343 1370982128 /nfs/dbraw/zinc/98/21/28/1370982128.db2.gz UDGNTLFOFRTYAB-AEFFLSMTSA-N 1 0 334.504 3.219 20 10 EGCDRO COc1cc([O-])c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC001206597370 1371104721 /nfs/dbraw/zinc/10/47/21/1371104721.db2.gz BHIVDDWIVXTSFQ-AWEZNQCLSA-N 1 0 326.868 3.407 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)cc3OC)CC2)cc1 ZINC001206734842 1371148329 /nfs/dbraw/zinc/14/83/29/1371148329.db2.gz HRFJKTGNPSXNJW-UHFFFAOYSA-N 1 0 326.440 3.334 20 10 EGCDRO [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001206755416 1371154940 /nfs/dbraw/zinc/15/49/40/1371154940.db2.gz HFZGPSXZOSWOLE-UHFFFAOYSA-N 1 0 332.394 3.163 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(O)c1OC ZINC001119933433 1371426108 /nfs/dbraw/zinc/42/61/08/1371426108.db2.gz GNADYXBNJCVCOK-INIZCTEOSA-N 1 0 327.424 3.474 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)CC2CCOCC2)cc1 ZINC001326442963 1388189769 /nfs/dbraw/zinc/18/97/69/1388189769.db2.gz KTUXMDLWOGTBJA-IBGZPJMESA-N 1 0 334.504 3.048 20 10 EGCDRO O=C1C=CC(=NNc2ccccc2)C(O[C@H]2COC3(C[NH2+]C3)C2)=C1 ZINC001218060384 1373550266 /nfs/dbraw/zinc/55/02/66/1373550266.db2.gz SVMUIWUJWDYQDU-WGLILOHCSA-N 1 0 325.368 3.317 20 10 EGCDRO O=C1C=CC(=NNc2ccccc2)C(OC[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)=C1 ZINC001218084533 1373557111 /nfs/dbraw/zinc/55/71/11/1373557111.db2.gz PWFGAKDJEJCLHO-HUENZHGDSA-N 1 0 339.395 3.421 20 10 EGCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CCC[C@]34CC[NH2+]C4)cccc21 ZINC001218097802 1373559893 /nfs/dbraw/zinc/55/98/93/1373559893.db2.gz XZLYTLDYRFCLFN-PGRDOPGGSA-N 1 0 347.414 3.373 20 10 EGCDRO CC1(C)C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001218310858 1373593334 /nfs/dbraw/zinc/59/33/34/1373593334.db2.gz BDIGMCOONDRAOA-QGZVFWFLSA-N 1 0 335.403 3.229 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)sc2C)cc1C ZINC001130956268 1373615417 /nfs/dbraw/zinc/61/54/17/1373615417.db2.gz PALAPNMPOAKEAN-UHFFFAOYSA-N 1 0 332.469 3.202 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2ccoc2)cc1C ZINC001133716910 1376171770 /nfs/dbraw/zinc/17/17/70/1376171770.db2.gz DJSQZEAVLRTBLO-CABCVRRESA-N 1 0 330.428 3.283 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1O ZINC001231592918 1376273277 /nfs/dbraw/zinc/27/32/77/1376273277.db2.gz LNSZBGFTZFRPJI-IBGZPJMESA-N 1 0 342.464 3.391 20 10 EGCDRO Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)Nc2ccccc23)c1O ZINC001231593465 1376273654 /nfs/dbraw/zinc/27/36/54/1376273654.db2.gz HJQXBERLAVPUHX-UHFFFAOYSA-N 1 0 337.423 3.327 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)cc1Cl ZINC001231868562 1376331475 /nfs/dbraw/zinc/33/14/75/1376331475.db2.gz DCJIKPBIDHGONV-ZSOGYDGISA-N 1 0 348.874 3.091 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)cc1Cl ZINC001231868467 1376332365 /nfs/dbraw/zinc/33/23/65/1376332365.db2.gz BXZAZIAIPWYIHE-AWEZNQCLSA-N 1 0 336.863 3.044 20 10 EGCDRO Cc1cncnc1O[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231871803 1376333539 /nfs/dbraw/zinc/33/35/39/1376333539.db2.gz RPKDESGBDQJEBX-OAHLLOKOSA-N 1 0 347.846 3.496 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2=CCCC2)cc1C ZINC001134086204 1376360329 /nfs/dbraw/zinc/36/03/29/1376360329.db2.gz NFJJXQGHRHJTAZ-JKSUJKDBSA-N 1 0 330.472 3.487 20 10 EGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)[C@@H]1C ZINC001232270076 1376427778 /nfs/dbraw/zinc/42/77/78/1376427778.db2.gz SCPRQJXYGZCQIA-YPMHNXCESA-N 1 0 341.835 3.218 20 10 EGCDRO CSc1cc(C)c(CN2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001232350263 1376447044 /nfs/dbraw/zinc/44/70/44/1376447044.db2.gz QGQWMPHGECUSSN-UHFFFAOYSA-N 1 0 330.453 3.472 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C2[C@H]3CCCCCC[C@H]23)cc1C ZINC001134319685 1376474535 /nfs/dbraw/zinc/47/45/35/1376474535.db2.gz XAVRRGBWLZMSBH-ROUUACIJSA-N 1 0 344.499 3.426 20 10 EGCDRO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287000 1376604669 /nfs/dbraw/zinc/60/46/69/1376604669.db2.gz RLDWJMXGHPXNTO-KRWDZBQOSA-N 1 0 347.503 3.362 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c1 ZINC001233287474 1376605202 /nfs/dbraw/zinc/60/52/02/1376605202.db2.gz RIZKNTAKNWORKL-MRXNPFEDSA-N 1 0 327.428 3.133 20 10 EGCDRO CC(C)C(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286349 1376605232 /nfs/dbraw/zinc/60/52/32/1376605232.db2.gz PQKYFYAHEVTVQG-UHFFFAOYSA-N 1 0 332.488 3.426 20 10 EGCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233290479 1376606076 /nfs/dbraw/zinc/60/60/76/1376606076.db2.gz DSGFFDDSNQKYOX-QGZVFWFLSA-N 1 0 341.835 3.219 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(Oc3cccnc3)CC2)c1O ZINC001233289606 1376606584 /nfs/dbraw/zinc/60/65/84/1376606584.db2.gz COQKFVMRNGKBEH-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO Oc1ccc(F)c(F)c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC001233334510 1376618600 /nfs/dbraw/zinc/61/86/00/1376618600.db2.gz KHNKPSGZBFQWSY-UHFFFAOYSA-N 1 0 332.394 3.031 20 10 EGCDRO CN(Cc1cc(O)c(O)cc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001233487379 1376652896 /nfs/dbraw/zinc/65/28/96/1376652896.db2.gz BCLZIOSRENKOEV-UHFFFAOYSA-N 1 0 334.460 3.032 20 10 EGCDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)cc1 ZINC001233486266 1376653615 /nfs/dbraw/zinc/65/36/15/1376653615.db2.gz FVWGGEZHVNEHPB-HNNXBMFYSA-N 1 0 343.423 3.267 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCC[C@]1(C)O ZINC001233726228 1376703344 /nfs/dbraw/zinc/70/33/44/1376703344.db2.gz ATHJKXVANGCJFJ-NHYWBVRUSA-N 1 0 333.350 3.274 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1C ZINC001134894038 1376772997 /nfs/dbraw/zinc/77/29/97/1376772997.db2.gz FEZXPKFLMHRQHJ-MOPGFXCFSA-N 1 0 338.451 3.013 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC(F)F)cc1C ZINC001135016820 1376847286 /nfs/dbraw/zinc/84/72/86/1376847286.db2.gz OSWSNXIKJXOFEY-ZIAGYGMSSA-N 1 0 342.430 3.422 20 10 EGCDRO COCCN(Cc1cc(Cl)c(C(C)(C)C)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236332849 1376950108 /nfs/dbraw/zinc/95/01/08/1376950108.db2.gz CAPMWGHMQFUJIQ-CQSZACIVSA-N 1 0 340.895 3.153 20 10 EGCDRO CCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C[C@H]1CC[NH2+]C1 ZINC001236843099 1376966578 /nfs/dbraw/zinc/96/65/78/1376966578.db2.gz KZBUVNKISDNDDD-ZDUSSCGKSA-N 1 0 341.293 3.285 20 10 EGCDRO COc1cccc(CC[N@H+](C)Cc2cc(OC)cc(OC)c2O)c1 ZINC001237672813 1376982572 /nfs/dbraw/zinc/98/25/72/1376982572.db2.gz AOFGPHDNCITEMQ-UHFFFAOYSA-N 1 0 331.412 3.093 20 10 EGCDRO Oc1c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc2c3c1CCCN3CCC2 ZINC001138340389 1377705343 /nfs/dbraw/zinc/70/53/43/1377705343.db2.gz OXSXZZHSILQSFQ-NRFANRHFSA-N 1 0 342.483 3.094 20 10 EGCDRO CCN1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C(C)(C)C1 ZINC001138341114 1377705768 /nfs/dbraw/zinc/70/57/68/1377705768.db2.gz HXMQUNMKAYKTEN-UHFFFAOYSA-N 1 0 343.515 3.007 20 10 EGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)n1 ZINC001138356445 1377708374 /nfs/dbraw/zinc/70/83/74/1377708374.db2.gz OKDVMJYENDEWIX-QGZVFWFLSA-N 1 0 340.471 3.394 20 10 EGCDRO CCC(=O)N(CC)C1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138359042 1377709229 /nfs/dbraw/zinc/70/92/29/1377709229.db2.gz IQOKXUBIIINBGJ-UHFFFAOYSA-N 1 0 343.515 3.292 20 10 EGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC001138358859 1377709421 /nfs/dbraw/zinc/70/94/21/1377709421.db2.gz CTNFSGPYSGYSBH-WMZOPIPTSA-N 1 0 344.499 3.480 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(OC)c1 ZINC001138388892 1377714070 /nfs/dbraw/zinc/71/40/70/1377714070.db2.gz HXGUUGBGASUSJF-IBGZPJMESA-N 1 0 331.504 3.212 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001138500053 1377733691 /nfs/dbraw/zinc/73/36/91/1377733691.db2.gz SETNXTACCZMTAY-OAQYLSRUSA-N 1 0 344.499 3.304 20 10 EGCDRO O=C1CCC2(CC1)CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138499479 1377733800 /nfs/dbraw/zinc/73/38/00/1377733800.db2.gz LUTLMIXHXQVQCM-UHFFFAOYSA-N 1 0 342.483 3.249 20 10 EGCDRO CCOc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1OC(C)=O ZINC001139008894 1377817348 /nfs/dbraw/zinc/81/73/48/1377817348.db2.gz IOHBZYHPFLQNME-UHFFFAOYSA-N 1 0 341.407 3.275 20 10 EGCDRO COc1cc(CN2CCCC(F)(F)[C@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139254016 1377858054 /nfs/dbraw/zinc/85/80/54/1377858054.db2.gz BZAKRKOOJOKDAT-OAHLLOKOSA-N 1 0 346.393 3.032 20 10 EGCDRO Cc1cccnc1N1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139670945 1377930907 /nfs/dbraw/zinc/93/09/07/1377930907.db2.gz HFBSWAZSXOOSQF-UHFFFAOYSA-N 1 0 338.499 3.477 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)ccc1N(C)C ZINC001139670841 1377930916 /nfs/dbraw/zinc/93/09/16/1377930916.db2.gz BBEAHNQHBNIWTP-PWRODBHTSA-N 1 0 344.499 3.219 20 10 EGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)c1 ZINC001139673188 1377931254 /nfs/dbraw/zinc/93/12/54/1377931254.db2.gz BUYALFJSDBQDQU-UHFFFAOYSA-N 1 0 326.440 3.480 20 10 EGCDRO Cc1cnc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)nc1 ZINC001139673502 1377931657 /nfs/dbraw/zinc/93/16/57/1377931657.db2.gz DEDNQINMVTYTRU-GOSISDBHSA-N 1 0 340.471 3.203 20 10 EGCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001140055654 1377996870 /nfs/dbraw/zinc/99/68/70/1377996870.db2.gz ODHXBCBTBBHXRL-YLJYHZDGSA-N 1 0 349.446 3.187 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1c1ccc(F)cc1 ZINC001140060309 1377998602 /nfs/dbraw/zinc/99/86/02/1377998602.db2.gz VBEIEOFZHWJHOV-SJORKVTESA-N 1 0 347.361 3.059 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCC[C@@]1(C)O ZINC001140098490 1378007284 /nfs/dbraw/zinc/00/72/84/1378007284.db2.gz BMFBQOVMMFTIRE-IAQYHMDHSA-N 1 0 328.250 3.138 20 10 EGCDRO OCC[C@H]1CC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001140100260 1378007536 /nfs/dbraw/zinc/00/75/36/1378007536.db2.gz IFXZPJOYEKDAHO-LBPRGKRZSA-N 1 0 340.261 3.139 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001140101397 1378007772 /nfs/dbraw/zinc/00/77/72/1378007772.db2.gz RKEZXPFVWAJLTI-CYBMUJFWSA-N 1 0 349.228 3.203 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1O ZINC001140179628 1378026133 /nfs/dbraw/zinc/02/61/33/1378026133.db2.gz HDDJZQNWRNEEQZ-ZOBUZTSGSA-N 1 0 346.471 3.497 20 10 EGCDRO COc1ccc(CC[N@@H+](Cc2c(C)ccc(C)c2O)C[C@H](C)O)cc1 ZINC001140178716 1378026478 /nfs/dbraw/zinc/02/64/78/1378026478.db2.gz VHRZQHAKFVQTAG-KRWDZBQOSA-N 1 0 343.467 3.443 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)Cc2ccccc21 ZINC001140183299 1378028285 /nfs/dbraw/zinc/02/82/85/1378028285.db2.gz AYOGDTQITLZGSY-SFHVURJKSA-N 1 0 325.408 3.281 20 10 EGCDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140342535 1378049918 /nfs/dbraw/zinc/04/99/18/1378049918.db2.gz OGUTZNXOVFINGP-UHFFFAOYSA-N 1 0 336.863 3.269 20 10 EGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC001140341816 1378050065 /nfs/dbraw/zinc/05/00/65/1378050065.db2.gz IREMGQKCMXBTCC-UHFFFAOYSA-N 1 0 328.840 3.392 20 10 EGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1C ZINC001140342259 1378050075 /nfs/dbraw/zinc/05/00/75/1378050075.db2.gz AISNKSCXWSPEFL-OLZOCXBDSA-N 1 0 325.836 3.457 20 10 EGCDRO COc1cccnc1O[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342354 1378050196 /nfs/dbraw/zinc/05/01/96/1378050196.db2.gz GAOGHMVPYMYKCE-ZDUSSCGKSA-N 1 0 348.830 3.493 20 10 EGCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)c1 ZINC001140464065 1378067026 /nfs/dbraw/zinc/06/70/26/1378067026.db2.gz AQIUBLOECNRYMD-OAHLLOKOSA-N 1 0 334.803 3.103 20 10 EGCDRO CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)[C@H]1Cc1cnn(C)c1 ZINC001140467456 1378069099 /nfs/dbraw/zinc/06/90/99/1378069099.db2.gz QRTRLYAUUDIKCA-WMZOPIPTSA-N 1 0 349.862 3.001 20 10 EGCDRO Oc1cc(Cl)ccc1CN1CC[NH+](CCc2cccs2)CC1 ZINC001140466674 1378069115 /nfs/dbraw/zinc/06/91/15/1378069115.db2.gz KNIAVRIIUZPMFX-UHFFFAOYSA-N 1 0 336.888 3.467 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCc2ccccc2CC1 ZINC001140661901 1378108859 /nfs/dbraw/zinc/10/88/59/1378108859.db2.gz XETGISPHUMRSFS-UHFFFAOYSA-N 1 0 340.442 3.263 20 10 EGCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c1O ZINC001140745348 1378128491 /nfs/dbraw/zinc/12/84/91/1378128491.db2.gz GQQAETHMJKLOJO-HKUYNNGSSA-N 1 0 338.451 3.113 20 10 EGCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)n1 ZINC001140747395 1378128894 /nfs/dbraw/zinc/12/88/94/1378128894.db2.gz BLELEISYBCWFEK-CQSZACIVSA-N 1 0 331.416 3.121 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN(C3(c4ccccc4)CC3)CC2)c1O ZINC001140747631 1378129092 /nfs/dbraw/zinc/12/90/92/1378129092.db2.gz GWZCZUIWQFAEBG-UHFFFAOYSA-N 1 0 338.451 3.213 20 10 EGCDRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001140949874 1378189986 /nfs/dbraw/zinc/18/99/86/1378189986.db2.gz IPQAOEJHHJYUSA-QUCCMNQESA-N 1 0 338.451 3.038 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)Cc2c1cnn2CC ZINC001140952172 1378190297 /nfs/dbraw/zinc/19/02/97/1378190297.db2.gz HINVFJWXXFMTFP-INIZCTEOSA-N 1 0 329.444 3.053 20 10 EGCDRO Cc1ccc(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)c(O)c1 ZINC001140957674 1378193695 /nfs/dbraw/zinc/19/36/95/1378193695.db2.gz IEEBIBHKLUQUMC-UHFFFAOYSA-N 1 0 332.394 3.297 20 10 EGCDRO Oc1ccc(O)c(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC001141158818 1378253104 /nfs/dbraw/zinc/25/31/04/1378253104.db2.gz OBZXSTNSHSGJNL-UHFFFAOYSA-N 1 0 331.387 3.418 20 10 EGCDRO Oc1ccc(O)c(CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001141162358 1378254464 /nfs/dbraw/zinc/25/44/64/1378254464.db2.gz QVEBONAUOJVEEG-OAQYLSRUSA-N 1 0 338.451 3.338 20 10 EGCDRO Oc1ccc(O)c(C[NH+]2CCC3(CCc4ccccc4O3)CC2)c1 ZINC001141160996 1378255082 /nfs/dbraw/zinc/25/50/82/1378255082.db2.gz MLUKRLHKBRYQGJ-UHFFFAOYSA-N 1 0 325.408 3.458 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C2CCC(C3CC3)CC2)cc1C ZINC001149496661 1379391090 /nfs/dbraw/zinc/39/10/90/1379391090.db2.gz JXLMARJFJIXQEG-UHFFFAOYSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCCC[C@@H]2C)cc1C ZINC001153252021 1380044895 /nfs/dbraw/zinc/04/48/95/1380044895.db2.gz DTQQMVVHSRUNNY-YJBOKZPZSA-N 1 0 332.488 3.426 20 10 EGCDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)c1Cl ZINC001156658592 1380605987 /nfs/dbraw/zinc/60/59/87/1380605987.db2.gz WQBVLQMVVQJWFP-UHFFFAOYSA-N 1 0 345.878 3.111 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC001157435012 1380892958 /nfs/dbraw/zinc/89/29/58/1380892958.db2.gz QWAJZHHOMADCMC-MZKGEVEHSA-N 1 0 330.472 3.137 20 10 EGCDRO CC[C@H](CC(F)F)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159664646 1381862798 /nfs/dbraw/zinc/86/27/98/1381862798.db2.gz HEXCLJUSKHSZJT-OAHLLOKOSA-N 1 0 342.430 3.281 20 10 EGCDRO Nc1ccc(OC(=O)c2ccc(NC=CC3CC[NH2+]CC3)cc2)cc1 ZINC001159766214 1381893967 /nfs/dbraw/zinc/89/39/67/1381893967.db2.gz ABVUKKNTYKMUNF-SDNWHVSQSA-N 1 0 337.423 3.413 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC001328496722 1388764653 /nfs/dbraw/zinc/76/46/53/1388764653.db2.gz WCGYDSNVZBHFAU-QGZVFWFLSA-N 1 0 331.504 3.271 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)c3ccc[nH]3)CC2)cc1C ZINC001163408782 1383045245 /nfs/dbraw/zinc/04/52/45/1383045245.db2.gz FLBAKBCRTRMXBG-UHFFFAOYSA-N 1 0 341.455 3.022 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C(C)(C)C2CCC2)cc1C ZINC001163430088 1383050312 /nfs/dbraw/zinc/05/03/12/1383050312.db2.gz MSEWRKQGVJIBCU-UHFFFAOYSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CC[C@@H](C)C2)cc1C ZINC001164172277 1383162629 /nfs/dbraw/zinc/16/26/29/1383162629.db2.gz UXKIRUCHCCOUDQ-NVXWUHKLSA-N 1 0 332.488 3.426 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3nccc(-c4ccco4)n3)cc2)CC1 ZINC001167426883 1383631034 /nfs/dbraw/zinc/63/10/34/1383631034.db2.gz MWIWBZVONSTPNK-UHFFFAOYSA-N 1 0 349.438 3.101 20 10 EGCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC001168242933 1383851824 /nfs/dbraw/zinc/85/18/24/1383851824.db2.gz FGWMNSDMRMQGKJ-HNNXBMFYSA-N 1 0 348.240 3.420 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC001328924646 1388903047 /nfs/dbraw/zinc/90/30/47/1388903047.db2.gz ZTKWXENQVIXEMV-ABAIWWIYSA-N 1 0 326.234 3.202 20 10 EGCDRO [NH3+]CCN(c1ccc2c(c1)[C@@H](O)CCO2)C12CC3CC(CC(C3)C1)C2 ZINC001170626909 1384353485 /nfs/dbraw/zinc/35/34/85/1384353485.db2.gz MGTHAHSSGSUYNO-IXYLRAAXSA-N 1 0 342.483 3.236 20 10 EGCDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1cccc(O)c1O)CC2 ZINC001171296431 1384488123 /nfs/dbraw/zinc/48/81/23/1384488123.db2.gz AZBMHEGTEHCIEF-LBPRGKRZSA-N 1 0 333.815 3.407 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172008605 1384708982 /nfs/dbraw/zinc/70/89/82/1384708982.db2.gz RMXCLSIRXUXYPW-VLIAUNLRSA-N 1 0 342.483 3.375 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172008600 1384709298 /nfs/dbraw/zinc/70/92/98/1384709298.db2.gz RMXCLSIRXUXYPW-JLTOFOAXSA-N 1 0 342.483 3.375 20 10 EGCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1O ZINC001172530941 1384808977 /nfs/dbraw/zinc/80/89/77/1384808977.db2.gz FHZBBPIXPRJHST-WRWLIDTKSA-N 1 0 327.424 3.447 20 10 EGCDRO CC(C)OC(=O)CC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001172763667 1384846703 /nfs/dbraw/zinc/84/67/03/1384846703.db2.gz NOQDOIQMNHXCBE-KRWDZBQOSA-N 1 0 348.487 3.075 20 10 EGCDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172855320 1384865940 /nfs/dbraw/zinc/86/59/40/1384865940.db2.gz YIJAJOZTDGDAEK-BMLIUANNSA-N 1 0 339.794 3.145 20 10 EGCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(O)c(O)c1)CC2 ZINC001172913472 1384876980 /nfs/dbraw/zinc/87/69/80/1384876980.db2.gz WBKRQEAWPKLMJS-OAHLLOKOSA-N 1 0 328.368 3.043 20 10 EGCDRO Oc1cc(O)c(CC[NH2+]C2CCC(Oc3ccccc3)CC2)cc1O ZINC001173198409 1384934998 /nfs/dbraw/zinc/93/49/98/1384934998.db2.gz TVTXFZNMILAGBB-UHFFFAOYSA-N 1 0 343.423 3.326 20 10 EGCDRO COC(=O)CCCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001173441383 1384970429 /nfs/dbraw/zinc/97/04/29/1384970429.db2.gz OTOPIILHZFQXJI-LLVKDONJSA-N 1 0 344.249 3.366 20 10 EGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)CCCCC(=O)OC)CC2)cc1 ZINC001173459116 1384975008 /nfs/dbraw/zinc/97/50/08/1384975008.db2.gz MERSPQSGECLMQH-KRWDZBQOSA-N 1 0 348.487 3.329 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccccc2C)cc1C ZINC001175712401 1385381779 /nfs/dbraw/zinc/38/17/79/1385381779.db2.gz XNMDSFNVLOFXLA-UHFFFAOYSA-N 1 0 340.467 3.151 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)cc1C ZINC001319730225 1386272908 /nfs/dbraw/zinc/27/29/08/1386272908.db2.gz YRIAEXQVCDPIGI-IBGZPJMESA-N 1 0 338.451 3.403 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178701541 1386283383 /nfs/dbraw/zinc/28/33/83/1386283383.db2.gz MPMCYGWQOADTNG-YJBOKZPZSA-N 1 0 330.472 3.233 20 10 EGCDRO CC(C)[N@H+](CCc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC001319931853 1386399930 /nfs/dbraw/zinc/39/99/30/1386399930.db2.gz DPYHCKIUROIVLC-IBGZPJMESA-N 1 0 327.424 3.271 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@H]2N(C)C)c1O ZINC001319952345 1386413790 /nfs/dbraw/zinc/41/37/90/1386413790.db2.gz ZVVYPGZMCMBUIK-LSDHHAIUSA-N 1 0 341.293 3.426 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)COc1ccccc1 ZINC001320119300 1386525089 /nfs/dbraw/zinc/52/50/89/1386525089.db2.gz ZVBISRXWYUHFDI-BFYDXBDKSA-N 1 0 327.424 3.278 20 10 EGCDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320508720 1386632540 /nfs/dbraw/zinc/63/25/40/1386632540.db2.gz HMSSIOWGVZOTML-OAHLLOKOSA-N 1 0 339.524 3.151 20 10 EGCDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320537706 1386641462 /nfs/dbraw/zinc/64/14/62/1386641462.db2.gz QWSBWEWGCPQGCE-MRXNPFEDSA-N 1 0 345.487 3.243 20 10 EGCDRO C[C@@H](CNC(=O)/C=C/c1ccc(N(C)C)cc1)CC(C)(C)CC[NH3+] ZINC001180129968 1386706530 /nfs/dbraw/zinc/70/65/30/1386706530.db2.gz OYMMZIHQAPRIDC-YCABEKBOSA-N 1 0 331.504 3.283 20 10 EGCDRO CC(C)[PH+](CCNC(=O)CCc1ccc(O)c(O)c1)C(C)C ZINC001182157663 1387114001 /nfs/dbraw/zinc/11/40/01/1387114001.db2.gz ZGPLFXNVZNANTI-UHFFFAOYSA-N 1 0 325.389 3.445 20 10 EGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC001329512724 1389137329 /nfs/dbraw/zinc/13/73/29/1389137329.db2.gz OBPCXBBVMBKRAE-LLVKDONJSA-N 1 0 342.233 3.072 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccn2C2CC2)N(C)C)cc1 ZINC001337792944 1389445249 /nfs/dbraw/zinc/44/52/49/1389445249.db2.gz VAHXTXBJWNKZRB-FQEVSTJZSA-N 1 0 326.488 3.282 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3N(C)C)CC2)cc1 ZINC001340525755 1390305668 /nfs/dbraw/zinc/30/56/68/1390305668.db2.gz DNKQDSWLYMLIGE-VQTJNVASSA-N 1 0 331.504 3.126 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC001333513755 1390324189 /nfs/dbraw/zinc/32/41/89/1390324189.db2.gz DQWIMXFSUBSENV-HXUWFJFHSA-N 1 0 328.431 3.423 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC001345143874 1390841190 /nfs/dbraw/zinc/84/11/90/1390841190.db2.gz ZAZZMNVWHNIBEY-GJZGRUSLSA-N 1 0 333.472 3.406 20 10 EGCDRO CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001731373102 1427303642 /nfs/dbraw/zinc/30/36/42/1427303642.db2.gz TWHISPYBVXFQMG-INIZCTEOSA-N 1 0 345.447 3.233 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1C ZINC001752888631 1440240308 /nfs/dbraw/zinc/24/03/08/1440240308.db2.gz FYCXDQJDJVRSKX-JLSDUUJJSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2c(F)cccc2F)cc1C ZINC001753255947 1440343708 /nfs/dbraw/zinc/34/37/08/1440343708.db2.gz NWUHKJIJRXZMGU-UHFFFAOYSA-N 1 0 348.393 3.144 20 10 EGCDRO CCc1[nH]ccc1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753473122 1440414522 /nfs/dbraw/zinc/41/45/22/1440414522.db2.gz QINZAKHBSAMFST-INIZCTEOSA-N 1 0 343.471 3.192 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2C=CC=CC=C2)cc1C ZINC001753969405 1440527022 /nfs/dbraw/zinc/52/70/22/1440527022.db2.gz IERPARYVRUGYGN-KRWDZBQOSA-N 1 0 340.467 3.286 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2CC(C)(C)C2)cc1C ZINC001754117628 1440542603 /nfs/dbraw/zinc/54/26/03/1440542603.db2.gz LYHAUBAZJNIHJH-AATRIKPKSA-N 1 0 330.472 3.202 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1C ZINC001754518850 1440619223 /nfs/dbraw/zinc/61/92/23/1440619223.db2.gz JMAYEEVDUIYCRI-RCCFBDPRSA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cccc(F)c2)cc1C ZINC001755224073 1440785472 /nfs/dbraw/zinc/78/54/72/1440785472.db2.gz PRSHPOXKQINALO-LSDHHAIUSA-N 1 0 344.430 3.439 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccc(C)o2)cc1C ZINC001755226830 1440786115 /nfs/dbraw/zinc/78/61/15/1440786115.db2.gz QHOJGMDQDONVSX-HUUCEWRRSA-N 1 0 330.428 3.202 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC(F)(F)C2)cc1C ZINC001755230437 1440786859 /nfs/dbraw/zinc/78/68/59/1440786859.db2.gz JZGWUSNITLTSJY-OLZOCXBDSA-N 1 0 340.414 3.032 20 10 EGCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001331277204 1126175315 /nfs/dbraw/zinc/17/53/15/1126175315.db2.gz HOKAUDITVRPURD-MRXNPFEDSA-N 1 0 334.410 3.032 20 10 EGCDRO COC[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000157762305 455228483 /nfs/dbraw/zinc/22/84/83/455228483.db2.gz XZZFIBFTKQAOJV-KRWDZBQOSA-N 1 0 340.414 3.271 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000238101734 455253588 /nfs/dbraw/zinc/25/35/88/455253588.db2.gz NAEKDPJOWDUNRR-GOSISDBHSA-N 1 0 346.858 3.209 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000183381364 455285198 /nfs/dbraw/zinc/28/51/98/455285198.db2.gz WUXJKQBUQUDAEF-AWEZNQCLSA-N 1 0 338.411 3.175 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(F)c3F)c2)CC1 ZINC000184268959 455368228 /nfs/dbraw/zinc/36/82/28/455368228.db2.gz YEICBSXZOXHPTO-UHFFFAOYSA-N 1 0 345.393 3.359 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)ccc1OC ZINC000174440299 455391698 /nfs/dbraw/zinc/39/16/98/455391698.db2.gz PMMPFCDXZATZAL-FQEVSTJZSA-N 1 0 347.455 3.439 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](c2ccccc2)O1 ZINC000067873804 453974704 /nfs/dbraw/zinc/97/47/04/453974704.db2.gz OVNMLAHFHVECFW-BFUOFWGJSA-N 1 0 327.380 3.083 20 10 EGCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000077164719 454069483 /nfs/dbraw/zinc/06/94/83/454069483.db2.gz PCEDFDCWPUXKQC-CQSZACIVSA-N 1 0 331.437 3.026 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(N(C)C)cc1 ZINC000089544384 454160643 /nfs/dbraw/zinc/16/06/43/454160643.db2.gz FEBVLPUULGEJEY-CQSZACIVSA-N 1 0 343.496 3.050 20 10 EGCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000089636314 454170682 /nfs/dbraw/zinc/17/06/82/454170682.db2.gz PBINBYSMVIWKIE-HOTGVXAUSA-N 1 0 338.517 3.151 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000130931175 454227046 /nfs/dbraw/zinc/22/70/46/454227046.db2.gz XQCCQYHNTXJVLL-SFHVURJKSA-N 1 0 326.444 3.484 20 10 EGCDRO CC[NH+](CC)CCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000131409635 454251911 /nfs/dbraw/zinc/25/19/11/454251911.db2.gz ZHYZFGDHDJNDLV-MRXNPFEDSA-N 1 0 337.483 3.045 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1O ZINC000184709318 455433342 /nfs/dbraw/zinc/43/33/42/455433342.db2.gz RNINIYSHLFLWAM-KRWDZBQOSA-N 1 0 339.819 3.261 20 10 EGCDRO C[NH+](C)CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000073324481 454421065 /nfs/dbraw/zinc/42/10/65/454421065.db2.gz RXVPRJQOYOMWQY-MRXNPFEDSA-N 1 0 331.485 3.383 20 10 EGCDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000133792906 454468626 /nfs/dbraw/zinc/46/86/26/454468626.db2.gz PMMOUVYIRIDENX-OAHLLOKOSA-N 1 0 335.467 3.381 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(O)c1 ZINC000091960800 454495460 /nfs/dbraw/zinc/49/54/60/454495460.db2.gz HJLXZKVRWGRMDC-CRAIPNDOSA-N 1 0 329.444 3.461 20 10 EGCDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092067316 454512035 /nfs/dbraw/zinc/51/20/35/454512035.db2.gz SGSFVDKNFHYTDS-FQEVSTJZSA-N 1 0 332.488 3.304 20 10 EGCDRO CO[C@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000123212304 454615699 /nfs/dbraw/zinc/61/56/99/454615699.db2.gz ZQXAJOOEZSSHOJ-BJZITVGISA-N 1 0 336.451 3.271 20 10 EGCDRO O=C(/C=C/c1cncc(F)c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000105369487 454637219 /nfs/dbraw/zinc/63/72/19/454637219.db2.gz KJAFVITXDUQAGJ-DVBCCOPCSA-N 1 0 337.398 3.245 20 10 EGCDRO CCCOc1ccc(C[NH+]2CCC(OCCCOC)CC2)c(O)c1 ZINC000093561520 454721224 /nfs/dbraw/zinc/72/12/24/454721224.db2.gz YKZDDEJZSZXARE-UHFFFAOYSA-N 1 0 337.460 3.199 20 10 EGCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000163515688 454853012 /nfs/dbraw/zinc/85/30/12/454853012.db2.gz UWTOECVBFCJMRA-INIZCTEOSA-N 1 0 338.517 3.152 20 10 EGCDRO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccccc2O)c2ccc(Cl)cc2)C1 ZINC000154338225 454886512 /nfs/dbraw/zinc/88/65/12/454886512.db2.gz QKWSCKNTBGEHQV-RTBURBONSA-N 1 0 346.858 3.207 20 10 EGCDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166472638 454913070 /nfs/dbraw/zinc/91/30/70/454913070.db2.gz VMEVBLSWNRSZNO-SFHVURJKSA-N 1 0 349.544 3.152 20 10 EGCDRO CC[C@H]([NH2+]CCSCCCO)c1cc(Br)ccc1O ZINC000155713246 455034950 /nfs/dbraw/zinc/03/49/50/455034950.db2.gz ZXILAHLXWRKAAI-ZDUSSCGKSA-N 1 0 348.306 3.311 20 10 EGCDRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179576866 455059831 /nfs/dbraw/zinc/05/98/31/455059831.db2.gz IYTCDMZUMXHZRC-KRWDZBQOSA-N 1 0 340.423 3.312 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1C ZINC000179777657 455077783 /nfs/dbraw/zinc/07/77/83/455077783.db2.gz KGODWXYRJRWVET-INIZCTEOSA-N 1 0 336.439 3.431 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1 ZINC000130064654 455140331 /nfs/dbraw/zinc/14/03/31/455140331.db2.gz QNWIYANOYOWXSD-QLFBSQMISA-N 1 0 340.414 3.271 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(Br)ccc1O ZINC000189289077 455170416 /nfs/dbraw/zinc/17/04/16/455170416.db2.gz SJURUNQPXFXZEC-SCDSUCTJSA-N 1 0 328.250 3.356 20 10 EGCDRO COc1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1O ZINC000237499763 455190020 /nfs/dbraw/zinc/19/00/20/455190020.db2.gz JMEKAAWGHYBTQI-IBGZPJMESA-N 1 0 341.407 3.413 20 10 EGCDRO CCOC[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180621812 455211453 /nfs/dbraw/zinc/21/14/53/455211453.db2.gz SIMHWFAAJHKIBR-GFCCVEGCSA-N 1 0 328.250 3.322 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)nc(C)n1 ZINC000183545431 455304406 /nfs/dbraw/zinc/30/44/06/455304406.db2.gz IGSUBRGBRYIOFW-AWEZNQCLSA-N 1 0 326.444 3.119 20 10 EGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000181563461 455355803 /nfs/dbraw/zinc/35/58/03/455355803.db2.gz OUPIQIIECCYEQF-PMACEKPBSA-N 1 0 346.515 3.189 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000174621637 455407346 /nfs/dbraw/zinc/40/73/46/455407346.db2.gz XAERRLSAKFPRSF-AWEZNQCLSA-N 1 0 326.387 3.025 20 10 EGCDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)N2CCOCC2)o1 ZINC000184909627 455470273 /nfs/dbraw/zinc/47/02/73/455470273.db2.gz MSCDSUYEOBFDCU-WMZOPIPTSA-N 1 0 344.455 3.326 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c(O)c1 ZINC000184919388 455472960 /nfs/dbraw/zinc/47/29/60/455472960.db2.gz YUQNECJTRZELFE-FXAWDEMLSA-N 1 0 340.467 3.425 20 10 EGCDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000185084619 455499202 /nfs/dbraw/zinc/49/92/02/455499202.db2.gz TZMIXFNLCDFZMH-GFCCVEGCSA-N 1 0 326.375 3.271 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c(O)c1 ZINC000284076795 455632810 /nfs/dbraw/zinc/63/28/10/455632810.db2.gz LQMDHUXLSWSXRT-INIZCTEOSA-N 1 0 341.455 3.091 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000186049471 455684598 /nfs/dbraw/zinc/68/45/98/455684598.db2.gz AJXFBRLGKZPZGC-GFCCVEGCSA-N 1 0 349.814 3.448 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2(O)CCC2)c1O ZINC000284441881 455686844 /nfs/dbraw/zinc/68/68/44/455686844.db2.gz SUMVBLGHZGOMBX-LLVKDONJSA-N 1 0 328.250 3.419 20 10 EGCDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000186091945 455692532 /nfs/dbraw/zinc/69/25/32/455692532.db2.gz GFARKQTZJMNBCR-CQSZACIVSA-N 1 0 330.472 3.228 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)N(C)C)c1 ZINC000192865511 455708328 /nfs/dbraw/zinc/70/83/28/455708328.db2.gz NIXNCWYHKCKCSL-KUHUBIRLSA-N 1 0 344.455 3.363 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000268826188 455715200 /nfs/dbraw/zinc/71/52/00/455715200.db2.gz YYZGZORUBWCQEU-QRWLVFNGSA-N 1 0 344.430 3.047 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000192916334 455716572 /nfs/dbraw/zinc/71/65/72/455716572.db2.gz UHZSKMUYDDXARC-YOEHRIQHSA-N 1 0 330.428 3.482 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1N(C)C ZINC000293443090 455786469 /nfs/dbraw/zinc/78/64/69/455786469.db2.gz CBPHIRGYDOPJLO-INIZCTEOSA-N 1 0 330.394 3.340 20 10 EGCDRO Cc1cccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c1O ZINC000271877095 455795450 /nfs/dbraw/zinc/79/54/50/455795450.db2.gz ZRJJEKDHZVZRFB-WMZOPIPTSA-N 1 0 346.377 3.040 20 10 EGCDRO O=C(NCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000293753512 455795774 /nfs/dbraw/zinc/79/57/74/455795774.db2.gz OIRHAGYCLCMYLD-LJQANCHMSA-N 1 0 338.451 3.182 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCCO1 ZINC000271944536 455801549 /nfs/dbraw/zinc/80/15/49/455801549.db2.gz WJTOJJPXUXESHN-KHYOSLBOSA-N 1 0 336.451 3.271 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C[C@@H](C)O)cc2)CC1 ZINC000294946696 455833459 /nfs/dbraw/zinc/83/34/59/455833459.db2.gz LRYJVKIILOJJMK-APWZRJJASA-N 1 0 332.488 3.037 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)ccc1[N+](=O)[O-] ZINC000278397834 455835222 /nfs/dbraw/zinc/83/52/22/455835222.db2.gz NQOUKVFESVVSGU-LLVKDONJSA-N 1 0 348.321 3.472 20 10 EGCDRO CCCCN(Cc1ccccc1O)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000295374639 455848085 /nfs/dbraw/zinc/84/80/85/455848085.db2.gz POPKZBOJTIYYIH-NSHDSACASA-N 1 0 335.839 3.176 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)nc2)cc1 ZINC000279081543 455857990 /nfs/dbraw/zinc/85/79/90/455857990.db2.gz MSKODEWROOQKBR-CQSZACIVSA-N 1 0 326.444 3.347 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279726732 455871590 /nfs/dbraw/zinc/87/15/90/455871590.db2.gz MYRBULZSOCBGIN-HXUWFJFHSA-N 1 0 341.499 3.262 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000272318053 455911582 /nfs/dbraw/zinc/91/15/82/455911582.db2.gz SURQGIQZZANEMH-WBVHZDCISA-N 1 0 325.456 3.212 20 10 EGCDRO CC[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc(C)cc1O ZINC000285838288 455926035 /nfs/dbraw/zinc/92/60/35/455926035.db2.gz YFPJBOUHIBVWDT-CQSZACIVSA-N 1 0 338.249 3.401 20 10 EGCDRO C[C@H]1O[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296451097 455942598 /nfs/dbraw/zinc/94/25/98/455942598.db2.gz OENPLBJHWBPQPL-PQHDGLIZSA-N 1 0 336.451 3.095 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000187986483 455976577 /nfs/dbraw/zinc/97/65/77/455976577.db2.gz JGRZIENFMRXTER-AEFFLSMTSA-N 1 0 327.424 3.222 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000286256244 456010880 /nfs/dbraw/zinc/01/08/80/456010880.db2.gz UPQSZCXOIZYVAP-OAHLLOKOSA-N 1 0 340.471 3.390 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000296870471 456056971 /nfs/dbraw/zinc/05/69/71/456056971.db2.gz ABMSDDQCBLQMQN-KRWDZBQOSA-N 1 0 325.456 3.213 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000287381932 456068232 /nfs/dbraw/zinc/06/82/32/456068232.db2.gz PNBVALBZIWMOIF-HOTGVXAUSA-N 1 0 342.439 3.362 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000287381930 456068278 /nfs/dbraw/zinc/06/82/78/456068278.db2.gz PNBVALBZIWMOIF-CVEARBPZSA-N 1 0 342.439 3.362 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1cc(Br)ccc1O ZINC000188472650 456069079 /nfs/dbraw/zinc/06/90/79/456069079.db2.gz ILSPTVHYTOTFBL-GWCFXTLKSA-N 1 0 343.265 3.062 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287730817 456076738 /nfs/dbraw/zinc/07/67/38/456076738.db2.gz YKKDONJPZSUFDN-CVEARBPZSA-N 1 0 331.460 3.031 20 10 EGCDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000281018665 456110827 /nfs/dbraw/zinc/11/08/27/456110827.db2.gz XIRVMXUSYBBQSL-UHFFFAOYSA-N 1 0 340.393 3.412 20 10 EGCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000289463422 456126013 /nfs/dbraw/zinc/12/60/13/456126013.db2.gz CRKRDPKAEDYTOE-RTBURBONSA-N 1 0 329.488 3.023 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000271210208 456174858 /nfs/dbraw/zinc/17/48/58/456174858.db2.gz LMMAONHFPOZDJG-MRXNPFEDSA-N 1 0 326.444 3.393 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000271212962 456176783 /nfs/dbraw/zinc/17/67/83/456176783.db2.gz IDJLUWBOPUYQNE-HNNXBMFYSA-N 1 0 336.229 3.286 20 10 EGCDRO CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC[NH2+]CC1 ZINC000236844295 456192155 /nfs/dbraw/zinc/19/21/55/456192155.db2.gz XUEGTJNCTAKWCQ-UHFFFAOYSA-N 1 0 340.471 3.093 20 10 EGCDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000236864749 456194867 /nfs/dbraw/zinc/19/48/67/456194867.db2.gz KTWRWUYGZXUPEB-UHFFFAOYSA-N 1 0 339.483 3.182 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000263709774 456198969 /nfs/dbraw/zinc/19/89/69/456198969.db2.gz TVEKLZAGEHPBKA-UHFFFAOYSA-N 1 0 337.423 3.326 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)NC(C)(C)C ZINC000263722535 456202861 /nfs/dbraw/zinc/20/28/61/456202861.db2.gz WOVOHLUMOPKKSY-CQSZACIVSA-N 1 0 326.440 3.452 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1O ZINC000273374659 456227175 /nfs/dbraw/zinc/22/71/75/456227175.db2.gz GWVCIOMODIOJBZ-CQSZACIVSA-N 1 0 330.403 3.219 20 10 EGCDRO C[NH2+]CC1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000237076051 456229172 /nfs/dbraw/zinc/22/91/72/456229172.db2.gz YYUNCWNBTIFCNN-UHFFFAOYSA-N 1 0 343.446 3.305 20 10 EGCDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cnn1C(C)C ZINC000276395861 456467826 /nfs/dbraw/zinc/46/78/26/456467826.db2.gz RZWQTERCHWPMRO-MRXNPFEDSA-N 1 0 342.487 3.460 20 10 EGCDRO CC(C)[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(N(C)C)cc1 ZINC000298694450 456517952 /nfs/dbraw/zinc/51/79/52/456517952.db2.gz FFKXAKSWXAOMDO-UHFFFAOYSA-N 1 0 325.456 3.262 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(COCCOC)cc2)c1 ZINC000291067830 456518178 /nfs/dbraw/zinc/51/81/78/456518178.db2.gz QSSGSGFHALKSCC-UHFFFAOYSA-N 1 0 345.439 3.244 20 10 EGCDRO Cc1cc(NC(=O)CC[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000298736257 456528800 /nfs/dbraw/zinc/52/88/00/456528800.db2.gz QFRXHFZPVOQGQL-UHFFFAOYSA-N 1 0 342.443 3.042 20 10 EGCDRO COCCCn1nccc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000282731610 456606304 /nfs/dbraw/zinc/60/63/04/456606304.db2.gz DODYLYZOFISJCL-UHFFFAOYSA-N 1 0 344.503 3.396 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c(O)c1 ZINC000282817434 456634726 /nfs/dbraw/zinc/63/47/26/456634726.db2.gz ROPSGTHESJNVLH-INIZCTEOSA-N 1 0 347.480 3.009 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000276985685 456641185 /nfs/dbraw/zinc/64/11/85/456641185.db2.gz HITDFPSOKHLRCC-UHFFFAOYSA-N 1 0 339.487 3.081 20 10 EGCDRO CCCOc1ccc(C[NH2+]CCOCC(F)(F)C(F)F)c(O)c1 ZINC000277455258 456830890 /nfs/dbraw/zinc/83/08/90/456830890.db2.gz HCQCDUYKLGJJSM-UHFFFAOYSA-N 1 0 339.329 3.188 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)CCCC[NH3+])c2C)cc1 ZINC000292089977 456852650 /nfs/dbraw/zinc/85/26/50/456852650.db2.gz NDBUUKAYUJMSRQ-AWEZNQCLSA-N 1 0 343.471 3.350 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1OC ZINC000367830392 457984289 /nfs/dbraw/zinc/98/42/89/457984289.db2.gz HEMXAUAMCNWZGA-INIZCTEOSA-N 1 0 347.386 3.202 20 10 EGCDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cccc(OC)c1O)C2 ZINC000367957425 458000736 /nfs/dbraw/zinc/00/07/36/458000736.db2.gz PURSDFJPJBJQRK-UHFFFAOYSA-N 1 0 325.408 3.457 20 10 EGCDRO C[NH2+]CCC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000418104277 458371041 /nfs/dbraw/zinc/37/10/41/458371041.db2.gz XLKUXYGJEJUTQR-UHFFFAOYSA-N 1 0 342.487 3.018 20 10 EGCDRO 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C[C@@H](c1cccnc1)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000126344274 1293532306 /nfs/dbraw/zinc/53/23/06/1293532306.db2.gz AULJAIKNXDBPGH-AWEZNQCLSA-N 1 0 331.847 3.319 20 10 EGCDRO CCC(=O)N1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000128729675 1293603737 /nfs/dbraw/zinc/60/37/37/1293603737.db2.gz WXUWYOHNBMIRNR-UHFFFAOYSA-N 1 0 332.488 3.442 20 10 EGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000134062174 1293761349 /nfs/dbraw/zinc/76/13/49/1293761349.db2.gz NOSNBYRMICRRIB-CQSZACIVSA-N 1 0 327.266 3.071 20 10 EGCDRO C[N@H+](CCOC[C@@H]1CCCO1)Cc1ccc(N2CCCCC2)cc1 ZINC000152115902 1293955083 /nfs/dbraw/zinc/95/50/83/1293955083.db2.gz ATXQQUBXCOHUID-FQEVSTJZSA-N 1 0 332.488 3.304 20 10 EGCDRO Fc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1N1CCOCC1 ZINC000154436161 1294055399 /nfs/dbraw/zinc/05/53/99/1294055399.db2.gz MNEXGHPXLDEPCZ-UHFFFAOYSA-N 1 0 326.415 3.221 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccccc3Cl)C1)OCO2 ZINC000155201136 1294088711 /nfs/dbraw/zinc/08/87/11/1294088711.db2.gz SWYMUSGNQOADKG-ZDUSSCGKSA-N 1 0 347.798 3.428 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1O ZINC000155377316 1294094134 /nfs/dbraw/zinc/09/41/34/1294094134.db2.gz FNVIHTICLIGTEW-SFHVURJKSA-N 1 0 326.440 3.470 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000156738760 1294157436 /nfs/dbraw/zinc/15/74/36/1294157436.db2.gz RHTSAWQKKPJMOU-DLBZAZTESA-N 1 0 349.494 3.187 20 10 EGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160111279 1294257395 /nfs/dbraw/zinc/25/73/95/1294257395.db2.gz JGLOCTGFGZIXIP-UHFFFAOYSA-N 1 0 346.471 3.324 20 10 EGCDRO CCOc1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000160188023 1294261927 /nfs/dbraw/zinc/26/19/27/1294261927.db2.gz OTTPYOUVPXVNPT-GOSISDBHSA-N 1 0 342.439 3.367 20 10 EGCDRO CCOC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163405387 1294333318 /nfs/dbraw/zinc/33/33/18/1294333318.db2.gz DZPJKGRBLOJLAZ-ZDUSSCGKSA-N 1 0 346.393 3.057 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 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/nfs/dbraw/zinc/03/95/68/1295039568.db2.gz JLMWBEAQYUCKHF-JKSUJKDBSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182413821 1295045289 /nfs/dbraw/zinc/04/52/89/1295045289.db2.gz FFQHHPLFFUOMFB-ZDUSSCGKSA-N 1 0 344.411 3.089 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000182858957 1295080934 /nfs/dbraw/zinc/08/09/34/1295080934.db2.gz SBIRFAAMSSREMS-UHFFFAOYSA-N 1 0 349.471 3.024 20 10 EGCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000183213523 1295104804 /nfs/dbraw/zinc/10/48/04/1295104804.db2.gz BQQDQAXBNZJHIG-MRXNPFEDSA-N 1 0 331.504 3.490 20 10 EGCDRO Cn1ccnc1[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000183250519 1295106620 /nfs/dbraw/zinc/10/66/20/1295106620.db2.gz JZNGPSRFRZNUIY-GOSISDBHSA-N 1 0 342.512 3.214 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000185173775 1295247218 /nfs/dbraw/zinc/24/72/18/1295247218.db2.gz GFFOEXNPEBEUTO-HZPDHXFCSA-N 1 0 340.467 3.498 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000185855811 1295290073 /nfs/dbraw/zinc/29/00/73/1295290073.db2.gz WHNVXNRXKQKNBQ-QWHCGFSZSA-N 1 0 346.377 3.435 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1 ZINC000186485842 1295331645 /nfs/dbraw/zinc/33/16/45/1295331645.db2.gz GDAUYGOYDMEIQD-CYBMUJFWSA-N 1 0 325.412 3.181 20 10 EGCDRO C[C@H](NCC(F)(F)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000187646387 1295405421 /nfs/dbraw/zinc/40/54/21/1295405421.db2.gz IGBMJTCDQKLZNU-NSHDSACASA-N 1 0 330.375 3.203 20 10 EGCDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000189964977 1295553960 /nfs/dbraw/zinc/55/39/60/1295553960.db2.gz BJIIRWZTWPLQBN-OALUTQOASA-N 1 0 327.424 3.220 20 10 EGCDRO CN(C)C1(C[NH2+]Cc2cc(Br)ccc2O)CCCC1 ZINC000226036324 1296138411 /nfs/dbraw/zinc/13/84/11/1296138411.db2.gz PHNAGQRUSKDYDC-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cccc(F)c2)cc1C ZINC000237130359 1296220968 /nfs/dbraw/zinc/22/09/68/1296220968.db2.gz 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CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC(C)(C)CC2)cc1 ZINC000303942992 1296879359 /nfs/dbraw/zinc/87/93/59/1296879359.db2.gz TYFNIGMTVDMLFN-UHFFFAOYSA-N 1 0 331.504 3.223 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2cnccc2C)cc1Cn1cccn1 ZINC000873098955 1297273457 /nfs/dbraw/zinc/27/34/57/1297273457.db2.gz PROGJJVBIGKWRB-INIZCTEOSA-N 1 0 336.439 3.494 20 10 EGCDRO COc1ccc(C[NH2+]CCc2scnc2C)cc1Cn1cccn1 ZINC000873131869 1297289221 /nfs/dbraw/zinc/28/92/21/1297289221.db2.gz YDSNDXGVEHSARP-UHFFFAOYSA-N 1 0 342.468 3.037 20 10 EGCDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000873195489 1297340405 /nfs/dbraw/zinc/34/04/05/1297340405.db2.gz NCWKHFDSKBRHNL-XOBRGWDASA-N 1 0 345.439 3.238 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000382433105 1297559063 /nfs/dbraw/zinc/55/90/63/1297559063.db2.gz SLAKERBTMZYISY-SWLSCSKDSA-N 1 0 338.423 3.314 20 10 EGCDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000701927303 1298191527 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COCCCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850337 1298375888 /nfs/dbraw/zinc/37/58/88/1298375888.db2.gz ZNZBOPCZKLTDTD-UHFFFAOYSA-N 1 0 335.448 3.491 20 10 EGCDRO CC[N@H+](CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000745796822 1298480663 /nfs/dbraw/zinc/48/06/63/1298480663.db2.gz XHMYZTZTIJUOLN-UHFFFAOYSA-N 1 0 346.519 3.157 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000746421740 1298587703 /nfs/dbraw/zinc/58/77/03/1298587703.db2.gz MCQOXEAWSNPUSG-UHFFFAOYSA-N 1 0 348.535 3.369 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C/C=C\Cc2ccccc2)cc1 ZINC000876505681 1298795999 /nfs/dbraw/zinc/79/59/99/1298795999.db2.gz AKJHTBVCBVEQNY-HCZHMGAMSA-N 1 0 337.467 3.058 20 10 EGCDRO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1c(C)cccc1O ZINC000876533978 1298809967 /nfs/dbraw/zinc/80/99/67/1298809967.db2.gz YJKYAKGMVKMGPN-UHFFFAOYSA-N 1 0 334.366 3.439 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CCC(OCC4CC4)CC3)cc2)CC1 ZINC000876773339 1298978157 /nfs/dbraw/zinc/97/81/57/1298978157.db2.gz 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ZINC000877027329 1299119070 /nfs/dbraw/zinc/11/90/70/1299119070.db2.gz MWRMLZGBMXXMGP-IBGZPJMESA-N 1 0 338.467 3.203 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC000749125273 1299148632 /nfs/dbraw/zinc/14/86/32/1299148632.db2.gz CGIYPTBEGCUPOA-QFBILLFUSA-N 1 0 343.515 3.447 20 10 EGCDRO Cc1cc(F)ccc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877109143 1299157717 /nfs/dbraw/zinc/15/77/17/1299157717.db2.gz AJUVVKXYSDTXHW-UHFFFAOYSA-N 1 0 342.458 3.428 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c(O)c1 ZINC000877125857 1299169320 /nfs/dbraw/zinc/16/93/20/1299169320.db2.gz BRTCHAZBSMRPEP-HNNXBMFYSA-N 1 0 336.229 3.286 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000749543203 1299234285 /nfs/dbraw/zinc/23/42/85/1299234285.db2.gz LGKNBWZXJTXWBJ-BBRMVZONSA-N 1 0 330.453 3.094 20 10 EGCDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877317558 1299246632 /nfs/dbraw/zinc/24/66/32/1299246632.db2.gz RQDPBRQJSAPMCA-MRXNPFEDSA-N 1 0 325.456 3.236 20 10 EGCDRO CCOC1(C)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877543274 1299384370 /nfs/dbraw/zinc/38/43/70/1299384370.db2.gz BKZUQNTYSJDDTM-UHFFFAOYSA-N 1 0 332.488 3.039 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c(O)c1 ZINC000877598236 1299423015 /nfs/dbraw/zinc/42/30/15/1299423015.db2.gz AHFJWSBADURQEN-HOCLYGCPSA-N 1 0 332.444 3.142 20 10 EGCDRO COc1ccc(OCC[N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000750817495 1299457872 /nfs/dbraw/zinc/45/78/72/1299457872.db2.gz OAPBWOMOCIHPDQ-UHFFFAOYSA-N 1 0 347.386 3.253 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[N@@H+](C)CC23CCCCC3)c1O ZINC000750827472 1299460110 /nfs/dbraw/zinc/46/01/10/1299460110.db2.gz MYJMSNCEEKMTAN-UHFFFAOYSA-N 1 0 334.435 3.184 20 10 EGCDRO C[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1Cc1ccccc1 ZINC000751071052 1299507926 /nfs/dbraw/zinc/50/79/26/1299507926.db2.gz RKLPZHNLXDDJQO-UKRRQHHQSA-N 1 0 330.453 3.237 20 10 EGCDRO C[C@H]([NH2+]CC(=O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000878358459 1299943140 /nfs/dbraw/zinc/94/31/40/1299943140.db2.gz PIMJFNRFGHPTCW-HNNXBMFYSA-N 1 0 342.414 3.196 20 10 EGCDRO Cc1cc(C(=O)CN(C)[C@H]2CCOC2)c(C)n1-c1cccc(F)c1 ZINC000754657526 1300184131 /nfs/dbraw/zinc/18/41/31/1300184131.db2.gz QSRODZMNMSDKGE-KRWDZBQOSA-N 1 0 330.403 3.137 20 10 EGCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000754732977 1300204132 /nfs/dbraw/zinc/20/41/32/1300204132.db2.gz YSEVNMNMPQAYKI-QGZVFWFLSA-N 1 0 349.471 3.426 20 10 EGCDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000755244648 1300305979 /nfs/dbraw/zinc/30/59/79/1300305979.db2.gz GYFPSWXKBVGBBF-LJQANCHMSA-N 1 0 331.504 3.366 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000756369694 1300477881 /nfs/dbraw/zinc/47/78/81/1300477881.db2.gz UARNUWKQTGDHOD-HNNXBMFYSA-N 1 0 348.487 3.484 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)c2c1c(F)ccc2O ZINC000756393971 1300483469 /nfs/dbraw/zinc/48/34/69/1300483469.db2.gz UVZKMLBNWCXJCH-IUODEOHRSA-N 1 0 338.386 3.450 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756420109 1300487266 /nfs/dbraw/zinc/48/72/66/1300487266.db2.gz HCPYHUWXGKUYJY-OWCLPIDISA-N 1 0 348.487 3.197 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756432193 1300490403 /nfs/dbraw/zinc/49/04/03/1300490403.db2.gz PYLPPBQBILTVHP-DOMZBBRYSA-N 1 0 346.402 3.290 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756461389 1300497402 /nfs/dbraw/zinc/49/74/02/1300497402.db2.gz SGSNOYQXKCIMBP-BBRMVZONSA-N 1 0 342.414 3.408 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCCc3ccccc32)c1 ZINC000756562221 1300522158 /nfs/dbraw/zinc/52/21/58/1300522158.db2.gz IPHSQLAFEHEGIM-XOBRGWDASA-N 1 0 327.424 3.276 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c2c1c(F)ccc2O ZINC000756570835 1300524270 /nfs/dbraw/zinc/52/42/70/1300524270.db2.gz BNGKLXWKNIMSKG-KMFMINBZSA-N 1 0 348.462 3.313 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c(O)c1C ZINC000756573597 1300524432 /nfs/dbraw/zinc/52/44/32/1300524432.db2.gz LAMWQBZUYBMHFK-WMZOPIPTSA-N 1 0 332.488 3.303 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cc(Br)ccc1O ZINC000756609972 1300531654 /nfs/dbraw/zinc/53/16/54/1300531654.db2.gz GRGBTDPVZHKHOR-MDZLAQPJSA-N 1 0 327.266 3.288 20 10 EGCDRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000756637062 1300538510 /nfs/dbraw/zinc/53/85/10/1300538510.db2.gz LOGCMUQPZCKLSV-KUHUBIRLSA-N 1 0 334.529 3.359 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccn3)C2)c2c1c(F)ccc2O ZINC000756769541 1300562619 /nfs/dbraw/zinc/56/26/19/1300562619.db2.gz FYPCUVOHPTZWLT-IPYPFGDCSA-N 1 0 327.403 3.343 20 10 EGCDRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648590 1300647903 /nfs/dbraw/zinc/64/79/03/1300647903.db2.gz VGXCHELHOWPELN-CHWSQXEVSA-N 1 0 341.411 3.028 20 10 EGCDRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC000879649356 1300650190 /nfs/dbraw/zinc/65/01/90/1300650190.db2.gz QYZWGYGFAVVJMH-MCIONIFRSA-N 1 0 330.403 3.448 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)c2c1c(F)ccc2O ZINC000757660661 1300705830 /nfs/dbraw/zinc/70/58/30/1300705830.db2.gz IPLMTPGHUKSSCW-BZNIZROVSA-N 1 0 340.398 3.155 20 10 EGCDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000757890030 1300754006 /nfs/dbraw/zinc/75/40/06/1300754006.db2.gz FKOYUJHXXPMCFA-HNNXBMFYSA-N 1 0 329.419 3.250 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1C ZINC000758525623 1300903472 /nfs/dbraw/zinc/90/34/72/1300903472.db2.gz WQFNUVTXWZNERW-QUCCMNQESA-N 1 0 329.415 3.404 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000758633352 1300927683 /nfs/dbraw/zinc/92/76/83/1300927683.db2.gz VIGYPEKFKGKGOM-AWEZNQCLSA-N 1 0 341.329 3.243 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c1O ZINC000763389980 1301891592 /nfs/dbraw/zinc/89/15/92/1301891592.db2.gz HGCSQSUUGLOTAR-IBGZPJMESA-N 1 0 342.508 3.408 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3Cc4cccc(O)c4C3)CC2)cc1 ZINC000763476370 1301911437 /nfs/dbraw/zinc/91/14/37/1301911437.db2.gz AUWOWJVTLXMYSQ-KRWDZBQOSA-N 1 0 338.451 3.127 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccsc1 ZINC000765252839 1302228840 /nfs/dbraw/zinc/22/88/40/1302228840.db2.gz JFHMXFHAPPZQSU-HOCLYGCPSA-N 1 0 343.496 3.301 20 10 EGCDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765328790 1302247242 /nfs/dbraw/zinc/24/72/42/1302247242.db2.gz YBORQTIZOFJECW-PXNSSMCTSA-N 1 0 342.483 3.460 20 10 EGCDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765330731 1302248209 /nfs/dbraw/zinc/24/82/09/1302248209.db2.gz OGLFRSWRJIMVMM-UONOGXRCSA-N 1 0 326.868 3.110 20 10 EGCDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765530883 1302279939 /nfs/dbraw/zinc/27/99/39/1302279939.db2.gz XGSIXILUKRAUQB-CQSZACIVSA-N 1 0 338.879 3.254 20 10 EGCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765631903 1302292051 /nfs/dbraw/zinc/29/20/51/1302292051.db2.gz TZMAHWDCUZJWGK-KGLIPLIRSA-N 1 0 326.868 3.252 20 10 EGCDRO Cc1cc(F)c(CNCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC000883283675 1302360707 /nfs/dbraw/zinc/36/07/07/1302360707.db2.gz OCUSFDFETFGILQ-UHFFFAOYSA-N 1 0 345.437 3.315 20 10 EGCDRO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000766609391 1302485991 /nfs/dbraw/zinc/48/59/91/1302485991.db2.gz YXGLAEJDXUTFDA-LBPRGKRZSA-N 1 0 326.366 3.362 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@]3(C)CCO[C@H]3C3CC3)CC2)cc1 ZINC000768296368 1302875701 /nfs/dbraw/zinc/87/57/01/1302875701.db2.gz WXDBZTROXMNNHL-SFTDATJTSA-N 1 0 344.499 3.459 20 10 EGCDRO CCOc1ccc(C[N@H+](CCC(=O)OC)Cc2ccccc2)c(O)c1 ZINC000768421261 1302899351 /nfs/dbraw/zinc/89/93/51/1302899351.db2.gz LPOPEXDGVWLTRW-UHFFFAOYSA-N 1 0 343.423 3.356 20 10 EGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1C2CC3CC(C2)CC1C3 ZINC000768439412 1302900471 /nfs/dbraw/zinc/90/04/71/1302900471.db2.gz LNAAGIGNPLEXRC-ILUHKQBQSA-N 1 0 329.440 3.075 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)[C@@H](O)CO2 ZINC000768442590 1302903093 /nfs/dbraw/zinc/90/30/93/1302903093.db2.gz MGNMDXSPRNZKSL-AEFFLSMTSA-N 1 0 329.371 3.294 20 10 EGCDRO CC(C)[N@H+](Cc1ccccc1F)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441161 1302904785 /nfs/dbraw/zinc/90/47/85/1302904785.db2.gz WKITXDACAJLSOW-SFHVURJKSA-N 1 0 331.387 3.368 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768445256 1302907886 /nfs/dbraw/zinc/90/78/86/1302907886.db2.gz RCMGJWCFPATAJA-YLJYHZDGSA-N 1 0 339.435 3.415 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c(O)c1 ZINC000768545335 1302929887 /nfs/dbraw/zinc/92/98/87/1302929887.db2.gz YDDJSRCVEBWLDH-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Cc1ccco1 ZINC000768842766 1302994642 /nfs/dbraw/zinc/99/46/42/1302994642.db2.gz WGIXQHQQWUXUFW-SFHVURJKSA-N 1 0 328.456 3.211 20 10 EGCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000769107037 1303047960 /nfs/dbraw/zinc/04/79/60/1303047960.db2.gz JEYDHSAHEPHGPT-QLFBSQMISA-N 1 0 338.879 3.119 20 10 EGCDRO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3)C(C)(C)C2)c1O ZINC000769333743 1303093376 /nfs/dbraw/zinc/09/33/76/1303093376.db2.gz KEBRGRYISUQXNF-UHFFFAOYSA-N 1 0 340.467 3.497 20 10 EGCDRO C[N@H+](Cc1c(O)cccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769334013 1303095433 /nfs/dbraw/zinc/09/54/33/1303095433.db2.gz MYROBXIEIFCRLI-GFCCVEGCSA-N 1 0 340.851 3.487 20 10 EGCDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769402159 1303107231 /nfs/dbraw/zinc/10/72/31/1303107231.db2.gz WBFQYNGRKNVMCF-CYBMUJFWSA-N 1 0 339.455 3.237 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)cc1C ZINC000769447785 1303114600 /nfs/dbraw/zinc/11/46/00/1303114600.db2.gz ZDFSZWDWZBUAOC-UHFFFAOYSA-N 1 0 338.451 3.028 20 10 EGCDRO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccccc2O)cn1 ZINC000770509495 1303278688 /nfs/dbraw/zinc/27/86/88/1303278688.db2.gz BEHDRGPPBRCQRI-LJQANCHMSA-N 1 0 325.387 3.486 20 10 EGCDRO COc1ccc(F)cc1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000886311742 1303430643 /nfs/dbraw/zinc/43/06/43/1303430643.db2.gz FFBCCYRVSQAZHT-UHFFFAOYSA-N 1 0 344.430 3.003 20 10 EGCDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747057 1303581872 /nfs/dbraw/zinc/58/18/72/1303581872.db2.gz JWEMYPDDCWONGD-VQTJNVASSA-N 1 0 343.515 3.303 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)o1 ZINC000886747185 1303583123 /nfs/dbraw/zinc/58/31/23/1303583123.db2.gz NGXCLBKNYYJXME-HNNXBMFYSA-N 1 0 341.455 3.141 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000886749186 1303583707 /nfs/dbraw/zinc/58/37/07/1303583707.db2.gz LULMWDPNJVOKLG-FQEVSTJZSA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000773198712 1303642019 /nfs/dbraw/zinc/64/20/19/1303642019.db2.gz OLZUZEIXODSNFA-BBWFWOEESA-N 1 0 346.519 3.376 20 10 EGCDRO Cc1cc(C(=O)NOC2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000773552078 1303704367 /nfs/dbraw/zinc/70/43/67/1303704367.db2.gz ZOPWWQVAHDZLRH-UHFFFAOYSA-N 1 0 341.455 3.158 20 10 EGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773748527 1303734024 /nfs/dbraw/zinc/73/40/24/1303734024.db2.gz MWWFHFGOCRYKDJ-SFHVURJKSA-N 1 0 331.504 3.271 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1O ZINC000775167395 1303917857 /nfs/dbraw/zinc/91/78/57/1303917857.db2.gz GFCLQWMBRRSLTE-ZDUSSCGKSA-N 1 0 339.357 3.059 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)c1 ZINC000775200062 1303923981 /nfs/dbraw/zinc/92/39/81/1303923981.db2.gz MFMZIYBPSCYHAP-SFHVURJKSA-N 1 0 329.440 3.351 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCOc3ccccc3[C@@H]2C)cc1OC ZINC000775657478 1304006842 /nfs/dbraw/zinc/00/68/42/1304006842.db2.gz BJYWYPSGBZDWQC-ZDUSSCGKSA-N 1 0 329.396 3.365 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000775677898 1304013236 /nfs/dbraw/zinc/01/32/36/1304013236.db2.gz JSMWVGXOUWOPSW-MDZRGWNJSA-N 1 0 331.504 3.125 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000775695293 1304017219 /nfs/dbraw/zinc/01/72/19/1304017219.db2.gz KONULXFPHMOMSY-MRXNPFEDSA-N 1 0 326.440 3.107 20 10 EGCDRO COc1cccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1O ZINC000775998026 1304076635 /nfs/dbraw/zinc/07/66/35/1304076635.db2.gz PLLBVGGUKJIEJE-UHFFFAOYSA-N 1 0 345.414 3.110 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000775995965 1304077194 /nfs/dbraw/zinc/07/71/94/1304077194.db2.gz INLJWBMWTJNSTO-UHFFFAOYSA-N 1 0 342.458 3.461 20 10 EGCDRO C[C@@H](CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000776179311 1304106898 /nfs/dbraw/zinc/10/68/98/1304106898.db2.gz IMUWCLNWJGMLDT-IRXDYDNUSA-N 1 0 346.519 3.377 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1O ZINC000776222289 1304116481 /nfs/dbraw/zinc/11/64/81/1304116481.db2.gz BFZJYRZNSVHFRA-RISCZKNCSA-N 1 0 327.266 3.035 20 10 EGCDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000776236929 1304118639 /nfs/dbraw/zinc/11/86/39/1304118639.db2.gz CXWSKHBMOPKTOP-MRXNPFEDSA-N 1 0 346.519 3.329 20 10 EGCDRO C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000776248958 1304121108 /nfs/dbraw/zinc/12/11/08/1304121108.db2.gz LYAHDBWMWKWKDW-APWZRJJASA-N 1 0 346.519 3.329 20 10 EGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776292303 1304129786 /nfs/dbraw/zinc/12/97/86/1304129786.db2.gz DZODALYPMPKLGR-SFHVURJKSA-N 1 0 334.419 3.384 20 10 EGCDRO C[C@H]([NH2+]CCOC1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000777121644 1304254831 /nfs/dbraw/zinc/25/48/31/1304254831.db2.gz OPZCNKDTZHHVNE-AWEZNQCLSA-N 1 0 338.879 3.396 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000779024225 1304519355 /nfs/dbraw/zinc/51/93/55/1304519355.db2.gz KWDASDRUWLZCLH-ZLKJLUDKSA-N 1 0 328.250 3.417 20 10 EGCDRO CC(C)(C)OC1CC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000779021807 1304519808 /nfs/dbraw/zinc/51/98/08/1304519808.db2.gz XWEBDFAQMJBBFB-UHFFFAOYSA-N 1 0 336.451 3.098 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000779024219 1304519911 /nfs/dbraw/zinc/51/99/11/1304519911.db2.gz KWDASDRUWLZCLH-BPNCWPANSA-N 1 0 328.250 3.417 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CCO)C2CC2)c1O ZINC000779031512 1304520458 /nfs/dbraw/zinc/52/04/58/1304520458.db2.gz IOEWHGJXURVGGX-YGRLFVJLSA-N 1 0 328.250 3.275 20 10 EGCDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779036448 1304521501 /nfs/dbraw/zinc/52/15/01/1304521501.db2.gz OIQWPCYPGJGHJA-VXGBXAGGSA-N 1 0 346.265 3.165 20 10 EGCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000779165820 1304537768 /nfs/dbraw/zinc/53/77/68/1304537768.db2.gz OGTTYDAQSGQJSD-SFHVURJKSA-N 1 0 347.459 3.320 20 10 EGCDRO CCCCNC(=O)C1([NH2+]Cc2cc(OCC)ccc2O)CCCCC1 ZINC000779175121 1304538280 /nfs/dbraw/zinc/53/82/80/1304538280.db2.gz UMMPTAIJDKWUPE-UHFFFAOYSA-N 1 0 348.487 3.500 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CC)C[C@H](O)C(F)(F)F)cc1F ZINC000779193959 1304541013 /nfs/dbraw/zinc/54/10/13/1304541013.db2.gz VEDJBWLBCBGSAF-HNNXBMFYSA-N 1 0 336.373 3.417 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)c(O)c1 ZINC000779604134 1304586681 /nfs/dbraw/zinc/58/66/81/1304586681.db2.gz HNCUOQNVUWFMQQ-OAHLLOKOSA-N 1 0 335.444 3.202 20 10 EGCDRO COc1ccc(N(C)Cc2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000780779607 1304737785 /nfs/dbraw/zinc/73/77/85/1304737785.db2.gz OYIQRDVXDSNUPS-UHFFFAOYSA-N 1 0 332.419 3.411 20 10 EGCDRO Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(O)c1O ZINC000780954285 1304755473 /nfs/dbraw/zinc/75/54/73/1304755473.db2.gz DAYGNNYGVUFMJO-HNNXBMFYSA-N 1 0 348.830 3.092 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000781896429 1304888029 /nfs/dbraw/zinc/88/80/29/1304888029.db2.gz KSXMWGPWEBCFDV-UHFFFAOYSA-N 1 0 341.293 3.237 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC3(CCCC3)C2)cc1 ZINC000782637286 1304996664 /nfs/dbraw/zinc/99/66/64/1304996664.db2.gz QAFRUOUFXFTBOQ-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccccc1O ZINC000783489382 1305097864 /nfs/dbraw/zinc/09/78/64/1305097864.db2.gz COPXQJUQFWZYJK-RDJZCZTQSA-N 1 0 345.512 3.093 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CCC(CCCO)CC2)c1O ZINC000783600224 1305114641 /nfs/dbraw/zinc/11/46/41/1305114641.db2.gz WTUCXOVJQSVCPG-UHFFFAOYSA-N 1 0 342.277 3.448 20 10 EGCDRO COc1ccc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)c(O)c1OC ZINC000891748591 1305155257 /nfs/dbraw/zinc/15/52/57/1305155257.db2.gz QYHADVKNHMUURV-ZDUSSCGKSA-N 1 0 329.396 3.365 20 10 EGCDRO COc1ccc(C[N@@H+]2CCOC3(C2)CCCCCC3)c(O)c1OC ZINC000892143013 1305266884 /nfs/dbraw/zinc/26/68/84/1305266884.db2.gz IXGJGALFNUCQKT-UHFFFAOYSA-N 1 0 335.444 3.335 20 10 EGCDRO Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C ZINC000785557739 1305379340 /nfs/dbraw/zinc/37/93/40/1305379340.db2.gz BFNWAXMXOMALTB-VBKZILBWSA-N 1 0 342.439 3.210 20 10 EGCDRO Oc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1F ZINC000892612401 1305470330 /nfs/dbraw/zinc/47/03/30/1305470330.db2.gz ILNDFVYGPJWXAG-UHFFFAOYSA-N 1 0 332.444 3.374 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H]1C ZINC000787239913 1305716100 /nfs/dbraw/zinc/71/61/00/1305716100.db2.gz PJTZAFKVWSLRMF-IUODEOHRSA-N 1 0 335.444 3.082 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(O)c1 ZINC000787288717 1305726761 /nfs/dbraw/zinc/72/67/61/1305726761.db2.gz BGBLOAJGZVRXAH-MRXNPFEDSA-N 1 0 346.402 3.368 20 10 EGCDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000787422666 1305743311 /nfs/dbraw/zinc/74/33/11/1305743311.db2.gz IJLKWSUALBWGPN-KPFFTGBYSA-N 1 0 336.435 3.145 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000788533390 1305964597 /nfs/dbraw/zinc/96/45/97/1305964597.db2.gz YBCOFSYANGFLGZ-MRXNPFEDSA-N 1 0 326.440 3.407 20 10 EGCDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000788544496 1305967479 /nfs/dbraw/zinc/96/74/79/1305967479.db2.gz DREDIDKQTJBPBS-ZNMIVQPWSA-N 1 0 338.467 3.342 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c(O)c1 ZINC000788625001 1305985607 /nfs/dbraw/zinc/98/56/07/1305985607.db2.gz ITPZTIAMEZMYCJ-GJZGRUSLSA-N 1 0 329.419 3.473 20 10 EGCDRO COc1c2ccccc2oc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000788970487 1306053980 /nfs/dbraw/zinc/05/39/80/1306053980.db2.gz UFFRFJYWXJCAJF-UHFFFAOYSA-N 1 0 327.336 3.166 20 10 EGCDRO COc1c2ccccc2oc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893956445 1306145996 /nfs/dbraw/zinc/14/59/96/1306145996.db2.gz CTHNUBAFWCJVAW-UHFFFAOYSA-N 1 0 343.379 3.454 20 10 EGCDRO CCCN(Cc1cccc(C(=O)N(C)C)c1)c1ccc(C[NH3+])cc1 ZINC000894044405 1306188277 /nfs/dbraw/zinc/18/82/77/1306188277.db2.gz ARLMWEVWTBNQQQ-UHFFFAOYSA-N 1 0 325.456 3.264 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)cc1OC ZINC000789777738 1306214975 /nfs/dbraw/zinc/21/49/75/1306214975.db2.gz BNDDSYKEYKOZOM-UXHICEINSA-N 1 0 345.439 3.257 20 10 EGCDRO C[C@@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000894285754 1306322548 /nfs/dbraw/zinc/32/25/48/1306322548.db2.gz LKUWXDWZIYJLAP-OAHLLOKOSA-N 1 0 344.503 3.130 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)c1O ZINC000894370889 1306363366 /nfs/dbraw/zinc/36/33/66/1306363366.db2.gz QVSNFAJIGQGFRJ-CXAGYDPISA-N 1 0 333.403 3.450 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)c1O ZINC000894382346 1306370127 /nfs/dbraw/zinc/37/01/27/1306370127.db2.gz SFOKRMUJRNHALL-UHFFFAOYSA-N 1 0 342.439 3.363 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1O ZINC000894468964 1308906388 /nfs/dbraw/zinc/90/63/88/1308906388.db2.gz CDVIKQJBAJGUEU-SFHVURJKSA-N 1 0 335.831 3.360 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)c1OC ZINC000894486393 1308917631 /nfs/dbraw/zinc/91/76/31/1308917631.db2.gz UTWNGHCGRAWGEQ-LSDHHAIUSA-N 1 0 335.444 3.048 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000791138229 1308928054 /nfs/dbraw/zinc/92/80/54/1308928054.db2.gz GDIIFYPNXMIBGG-CQSZACIVSA-N 1 0 334.460 3.233 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000791247134 1308940672 /nfs/dbraw/zinc/94/06/72/1308940672.db2.gz CFIVWNPDJINGDY-UHFFFAOYSA-N 1 0 337.467 3.180 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000792834402 1309241760 /nfs/dbraw/zinc/24/17/60/1309241760.db2.gz IELLVXNSRYWBPZ-INIZCTEOSA-N 1 0 328.378 3.384 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCSc2nccs2)[C@@H]1C ZINC000792991721 1309278067 /nfs/dbraw/zinc/27/80/67/1309278067.db2.gz INJHQSMKNCMNOW-AGIUHOORSA-N 1 0 328.503 3.193 20 10 EGCDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793019640 1309281920 /nfs/dbraw/zinc/28/19/20/1309281920.db2.gz SWRYPEGULCCJEZ-SJCJKPOMSA-N 1 0 341.421 3.344 20 10 EGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895325332 1309285132 /nfs/dbraw/zinc/28/51/32/1309285132.db2.gz PORYSIHOVOXPNB-UHFFFAOYSA-N 1 0 325.449 3.076 20 10 EGCDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793042042 1309285725 /nfs/dbraw/zinc/28/57/25/1309285725.db2.gz FGNFSOOTCLYGSM-NWDGAFQWSA-N 1 0 345.409 3.164 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c1O ZINC000895747228 1309501472 /nfs/dbraw/zinc/50/14/72/1309501472.db2.gz GINWKKSXVKCDBB-ZDUSSCGKSA-N 1 0 343.757 3.156 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3CC(C)(C)C3)cc2F)CC1 ZINC000796230733 1309940723 /nfs/dbraw/zinc/94/07/23/1309940723.db2.gz FQDINOMBXUJERJ-UHFFFAOYSA-N 1 0 347.478 3.020 20 10 EGCDRO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796264277 1309947051 /nfs/dbraw/zinc/94/70/51/1309947051.db2.gz MLSXCSJUELPWOI-FQEVSTJZSA-N 1 0 349.478 3.008 20 10 EGCDRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000896984829 1310119366 /nfs/dbraw/zinc/11/93/66/1310119366.db2.gz NKBSEUAYPANYCJ-ZDUSSCGKSA-N 1 0 338.423 3.268 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2CCN(C(=O)OC)CC2)cc1 ZINC000797089922 1310138415 /nfs/dbraw/zinc/13/84/15/1310138415.db2.gz IFKBWMIHZPAEAW-HNNXBMFYSA-N 1 0 333.476 3.272 20 10 EGCDRO CCO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000897069230 1310165483 /nfs/dbraw/zinc/16/54/83/1310165483.db2.gz SVYOAUDHMLJLDB-INIZCTEOSA-N 1 0 333.432 3.196 20 10 EGCDRO CN(C)c1ccc([C@H](CNc2nnc(C3CC3)s2)[NH+](C)C)cc1 ZINC000897525818 1310363255 /nfs/dbraw/zinc/36/32/55/1310363255.db2.gz VKGIYLRPJLJHLE-HNNXBMFYSA-N 1 0 331.489 3.196 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897544054 1310373767 /nfs/dbraw/zinc/37/37/67/1310373767.db2.gz FGUSFBWXTZCQJB-GOSISDBHSA-N 1 0 346.519 3.016 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CCO)Cc2ccccc2)c1O ZINC000799738996 1310610988 /nfs/dbraw/zinc/61/09/88/1310610988.db2.gz FZUMUWCXHSFIJE-MRXNPFEDSA-N 1 0 335.831 3.138 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@@H](c3ccncc3)C3CC3)cc2)CC1 ZINC000898320614 1310676749 /nfs/dbraw/zinc/67/67/49/1310676749.db2.gz MTEURPOWDAASOE-OAQYLSRUSA-N 1 0 337.467 3.284 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)cc1C ZINC000800311562 1310730827 /nfs/dbraw/zinc/73/08/27/1310730827.db2.gz JZPZAZFGNCAPGN-KTKRTIGZSA-N 1 0 338.451 3.318 20 10 EGCDRO CCOCc1cc(C[NH2+]CCOC2CCSCC2)ccc1OC ZINC000898443029 1310737909 /nfs/dbraw/zinc/73/79/09/1310737909.db2.gz YCMICPANOJGFTG-UHFFFAOYSA-N 1 0 339.501 3.234 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000800476136 1310765187 /nfs/dbraw/zinc/76/51/87/1310765187.db2.gz IDDUZMREHKQDOE-SFHVURJKSA-N 1 0 332.513 3.289 20 10 EGCDRO COc1cccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1F ZINC000800521666 1310777108 /nfs/dbraw/zinc/77/71/08/1310777108.db2.gz XWZXXMBNIXOCPE-UHFFFAOYSA-N 1 0 332.419 3.411 20 10 EGCDRO C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[NH+](C)C ZINC000800572181 1310783747 /nfs/dbraw/zinc/78/37/47/1310783747.db2.gz TYVWCAMBFRMMHW-KGLIPLIRSA-N 1 0 337.895 3.143 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCCOC(F)F)ccc1N1CCCCC1 ZINC000800895655 1310830759 /nfs/dbraw/zinc/83/07/59/1310830759.db2.gz SSNYZLAKJVSBKW-UHFFFAOYSA-N 1 0 343.374 3.304 20 10 EGCDRO CCCC[N@H+](CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000801595143 1310971582 /nfs/dbraw/zinc/97/15/82/1310971582.db2.gz WGSNRHCNOVAZRY-UHFFFAOYSA-N 1 0 332.469 3.372 20 10 EGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1(Cl)Cl ZINC000824765136 1320283935 /nfs/dbraw/zinc/28/39/35/1320283935.db2.gz ICEUPKQIJWKDOJ-HNNXBMFYSA-N 1 0 347.261 3.336 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1Cl ZINC000825732814 1320358802 /nfs/dbraw/zinc/35/88/02/1320358802.db2.gz YMYOLRRODAMBNN-AHIWAGSCSA-N 1 0 325.836 3.122 20 10 EGCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825730999 1320359032 /nfs/dbraw/zinc/35/90/32/1320359032.db2.gz BQIQIDVSAGLYJF-BXUZGUMPSA-N 1 0 328.250 3.280 20 10 EGCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826017875 1320378969 /nfs/dbraw/zinc/37/89/69/1320378969.db2.gz XRSOQEFQBOCKFD-INIZCTEOSA-N 1 0 342.277 3.385 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000836484761 1320493510 /nfs/dbraw/zinc/49/35/10/1320493510.db2.gz FRKYIWOWEFGXQL-HNNXBMFYSA-N 1 0 349.475 3.027 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1O ZINC000858013249 1328659872 /nfs/dbraw/zinc/65/98/72/1328659872.db2.gz PYPNCKUAEGSXTG-OAHLLOKOSA-N 1 0 348.830 3.411 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3csc(C)c3)C2)cc1C ZINC001019516738 1317281896 /nfs/dbraw/zinc/28/18/96/1317281896.db2.gz KYQGBUIWWCLNMH-KRWDZBQOSA-N 1 0 344.480 3.378 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000858120897 1328688593 /nfs/dbraw/zinc/68/85/93/1328688593.db2.gz PFEBMQRGXOQFSW-UHFFFAOYSA-N 1 0 334.213 3.379 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)C[NH+](C)C)c(C)n1-c1cccc(Cl)c1 ZINC000805426454 1317361518 /nfs/dbraw/zinc/36/15/18/1317361518.db2.gz WAPKLJAUZDCELA-LBPRGKRZSA-N 1 0 333.863 3.427 20 10 EGCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000805776585 1317424116 /nfs/dbraw/zinc/42/41/16/1317424116.db2.gz RNGYEVWGNTXBPI-SFHVURJKSA-N 1 0 333.476 3.243 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806179120 1317469791 /nfs/dbraw/zinc/46/97/91/1317469791.db2.gz PFZCZJJPOGNRFM-HUUCEWRRSA-N 1 0 338.492 3.456 20 10 EGCDRO COCC1(C[NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC000858174520 1328703691 /nfs/dbraw/zinc/70/36/91/1328703691.db2.gz SQNDOJQENMNBOJ-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[C@H](F)C3)C2)cc1C ZINC001020142553 1317559659 /nfs/dbraw/zinc/55/96/59/1317559659.db2.gz GAOMMVSTQTXJSO-XMTFNYHQSA-N 1 0 348.462 3.269 20 10 EGCDRO O=C(C1=CC(=O)CS1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807693978 1317578886 /nfs/dbraw/zinc/57/88/86/1317578886.db2.gz XVAQFYPPXOCLGU-LJQANCHMSA-N 1 0 342.464 3.192 20 10 EGCDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000902756293 1317612583 /nfs/dbraw/zinc/61/25/83/1317612583.db2.gz XCFHVMISMYSHKG-SJORKVTESA-N 1 0 336.451 3.100 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1F ZINC000808431193 1317676398 /nfs/dbraw/zinc/67/63/98/1317676398.db2.gz PCFYJACTSMSDDE-HNNXBMFYSA-N 1 0 336.838 3.411 20 10 EGCDRO CN(C)c1ccc([C@H](CN[C@H]2CCCc3scnc32)[NH+](C)C)cc1 ZINC000903448406 1317702343 /nfs/dbraw/zinc/70/23/43/1317702343.db2.gz OOMZQJQDBQPSQT-IRXDYDNUSA-N 1 0 344.528 3.479 20 10 EGCDRO Cc1ccncc1[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449436 1317702368 /nfs/dbraw/zinc/70/23/68/1317702368.db2.gz YSSKXVQTFXLCJG-JXFKEZNVSA-N 1 0 326.488 3.410 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1O ZINC000808672390 1317711795 /nfs/dbraw/zinc/71/17/95/1317711795.db2.gz MACUOZHEHOFIDO-HOCLYGCPSA-N 1 0 340.895 3.361 20 10 EGCDRO COC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808680280 1317714688 /nfs/dbraw/zinc/71/46/88/1317714688.db2.gz JWUBTJAVJTWXDS-LLVKDONJSA-N 1 0 326.824 3.235 20 10 EGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808715549 1317721150 /nfs/dbraw/zinc/72/11/50/1317721150.db2.gz VRTUTSCFFBDBGA-YPMHNXCESA-N 1 0 326.824 3.235 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Cl)ccc3O)[C@@H]2C1 ZINC000808724042 1317723075 /nfs/dbraw/zinc/72/30/75/1317723075.db2.gz RYNSYPLONBLTQY-KVPRVUCYSA-N 1 0 336.863 3.343 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1O ZINC000808729479 1317724745 /nfs/dbraw/zinc/72/47/45/1317724745.db2.gz KQJIXFHFAPHNKY-GYOIFBIXSA-N 1 0 333.815 3.499 20 10 EGCDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000809644344 1317856194 /nfs/dbraw/zinc/85/61/94/1317856194.db2.gz WTRDECUEFLDXNX-KRWDZBQOSA-N 1 0 345.439 3.183 20 10 EGCDRO COc1cc2c(c(C[NH2+]Cc3cccc(OC)c3O)c1)O[C@@H](C)C2 ZINC000809740154 1317886125 /nfs/dbraw/zinc/88/61/25/1317886125.db2.gz NDGBKRDWBUBFMU-LBPRGKRZSA-N 1 0 329.396 3.023 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000809769525 1317895084 /nfs/dbraw/zinc/89/50/84/1317895084.db2.gz HKUVOABOQZHMSP-OAHLLOKOSA-N 1 0 329.293 3.373 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)cc1 ZINC000809777739 1317897610 /nfs/dbraw/zinc/89/76/10/1317897610.db2.gz FRUCYUMZCHRZGE-SFHVURJKSA-N 1 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COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c(C)coc3C)C2)cc1C ZINC001022040228 1318778488 /nfs/dbraw/zinc/77/84/88/1318778488.db2.gz SOGNWWXMBDLMEI-CALCHBBNSA-N 1 0 342.439 3.264 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(Cl)cc1O ZINC000858536128 1328790820 /nfs/dbraw/zinc/79/08/20/1328790820.db2.gz FQHOVXVHHMKBHQ-IXBGWNDUSA-N 1 0 334.803 3.327 20 10 EGCDRO COC(=O)CN(Cc1ccccc1)Cc1ccc(N(C)C)c(C)c1 ZINC000815025312 1318869708 /nfs/dbraw/zinc/86/97/08/1318869708.db2.gz SWSLASDVOHOVAC-UHFFFAOYSA-N 1 0 326.440 3.236 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815044130 1318873035 /nfs/dbraw/zinc/87/30/35/1318873035.db2.gz ZPOHOSNSTWIEDL-INIZCTEOSA-N 1 0 333.476 3.160 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC34CC4)C2)cc1C ZINC001022276433 1318873029 /nfs/dbraw/zinc/87/30/29/1318873029.db2.gz JSCMEJFTXYBITP-FGTMMUONSA-N 1 0 342.483 3.321 20 10 EGCDRO Cc1cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)ccc1N(C)C ZINC000815079235 1318884819 /nfs/dbraw/zinc/88/48/19/1318884819.db2.gz NTKYFVQPIPQYFJ-GOSISDBHSA-N 1 0 332.488 3.079 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000815104358 1318890611 /nfs/dbraw/zinc/89/06/11/1318890611.db2.gz ISAKLMFRWPXFSQ-UHFFFAOYSA-N 1 0 343.431 3.085 20 10 EGCDRO Cc1sccc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000815116917 1318897108 /nfs/dbraw/zinc/89/71/08/1318897108.db2.gz GKQRSJKGIMORJF-QGZVFWFLSA-N 1 0 343.496 3.048 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)ccc1N(C)C ZINC000815121283 1318899802 /nfs/dbraw/zinc/89/98/02/1318899802.db2.gz YZHOLXDNABKGTH-SFHVURJKSA-N 1 0 345.487 3.304 20 10 EGCDRO COC[C@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815579838 1319020815 /nfs/dbraw/zinc/02/08/15/1319020815.db2.gz WFDJXPMGEVOFGQ-UYAOXDASSA-N 1 0 329.440 3.053 20 10 EGCDRO CC[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccccc1O ZINC000858595585 1328804783 /nfs/dbraw/zinc/80/47/83/1328804783.db2.gz RLJWNLFDYQIVSR-MJGOQNOKSA-N 1 0 329.440 3.401 20 10 EGCDRO C[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000858597821 1328804939 /nfs/dbraw/zinc/80/49/39/1328804939.db2.gz XSFUCQOVIXERRA-DYESRHJHSA-N 1 0 342.483 3.371 20 10 EGCDRO O=C(C1CC[NH+](Cc2ccc3ccccc3c2O)CC1)N1CCCC1 ZINC000816483529 1319162966 /nfs/dbraw/zinc/16/29/66/1319162966.db2.gz VSKGSIJKBZYUEI-UHFFFAOYSA-N 1 0 338.451 3.380 20 10 EGCDRO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816499065 1319167747 /nfs/dbraw/zinc/16/77/47/1319167747.db2.gz DBVQTRMZMANEDR-QGZVFWFLSA-N 1 0 326.440 3.282 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816553380 1319181449 /nfs/dbraw/zinc/18/14/49/1319181449.db2.gz TUQWXPGRZYMBOA-UHFFFAOYSA-N 1 0 334.419 3.237 20 10 EGCDRO C[NH+]1CCC2(CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)CC1 ZINC000816598665 1319191643 /nfs/dbraw/zinc/19/16/43/1319191643.db2.gz LBFIIXPUNVRDFD-UHFFFAOYSA-N 1 0 326.843 3.493 20 10 EGCDRO C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)CC1 ZINC000816610835 1319193968 /nfs/dbraw/zinc/19/39/68/1319193968.db2.gz AOZBHPCYZJTMKC-ZDUSSCGKSA-N 1 0 326.843 3.348 20 10 EGCDRO C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000817890871 1319453686 /nfs/dbraw/zinc/45/36/86/1319453686.db2.gz ATTAFCCPJARZEH-JHVJFLLYSA-N 1 0 337.467 3.319 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(O)c1 ZINC000817939880 1319469069 /nfs/dbraw/zinc/46/90/69/1319469069.db2.gz CYFOQOVNFBGADI-MAUKXSAKSA-N 1 0 327.472 3.426 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817942227 1319469925 /nfs/dbraw/zinc/46/99/25/1319469925.db2.gz NAWKIKPMINZRSA-RBUKOAKNSA-N 1 0 328.435 3.027 20 10 EGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000817955750 1319476795 /nfs/dbraw/zinc/47/67/95/1319476795.db2.gz GYTMGLGWJSPJND-AWEZNQCLSA-N 1 0 338.455 3.446 20 10 EGCDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1[N+](=O)[O-] ZINC000817958477 1319477822 /nfs/dbraw/zinc/47/78/22/1319477822.db2.gz WHPHQYSWRNKNAX-ZDUSSCGKSA-N 1 0 329.400 3.469 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817961192 1319477827 /nfs/dbraw/zinc/47/78/27/1319477827.db2.gz VGIPOMKKYVVBOH-BHDSKKPTSA-N 1 0 345.256 3.462 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817968061 1319481021 /nfs/dbraw/zinc/48/10/21/1319481021.db2.gz GRHZGIDUOHUHHO-GXSJLCMTSA-N 1 0 331.229 3.087 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cncn3C(C)C)C2)cc1 ZINC000818222481 1319522478 /nfs/dbraw/zinc/52/24/78/1319522478.db2.gz UDADRDCZYSVWRC-MRXNPFEDSA-N 1 0 328.460 3.089 20 10 EGCDRO O[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000818230603 1319523911 /nfs/dbraw/zinc/52/39/11/1319523911.db2.gz IBXGGXWNMGQGDI-GDBMZVCRSA-N 1 0 339.277 3.052 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000818341540 1319530765 /nfs/dbraw/zinc/53/07/65/1319530765.db2.gz AGTTVBZVOUCEPS-LPHOPBHVSA-N 1 0 330.472 3.070 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000915808236 1319539575 /nfs/dbraw/zinc/53/95/75/1319539575.db2.gz WHCQAZQKYBTIJX-UHFFFAOYSA-N 1 0 341.411 3.239 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000818941449 1319581856 /nfs/dbraw/zinc/58/18/56/1319581856.db2.gz JTXIISJTGDQOKO-SFHVURJKSA-N 1 0 348.874 3.073 20 10 EGCDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC000818954451 1319587961 /nfs/dbraw/zinc/58/79/61/1319587961.db2.gz TWRGHAYQHSFMNO-IBGZPJMESA-N 1 0 341.411 3.018 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1F ZINC000818985350 1319605215 /nfs/dbraw/zinc/60/52/15/1319605215.db2.gz RVWVYXIEMRTXTJ-MRXNPFEDSA-N 1 0 336.838 3.238 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)Cc3ccc(O)cc3)C2)cc1 ZINC000822494663 1320088673 /nfs/dbraw/zinc/08/86/73/1320088673.db2.gz RZXJFLLCKDWMQA-AEFFLSMTSA-N 1 0 340.467 3.448 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCC1 ZINC000824084257 1320227576 /nfs/dbraw/zinc/22/75/76/1320227576.db2.gz AYADQOPKIPKWKV-PKOBYXMFSA-N 1 0 329.488 3.057 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000824293193 1320245190 /nfs/dbraw/zinc/24/51/90/1320245190.db2.gz ZHXKCDFGVFGDPK-CQSZACIVSA-N 1 0 340.439 3.490 20 10 EGCDRO CC(C)[NH2+]C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824656723 1320275315 /nfs/dbraw/zinc/27/53/15/1320275315.db2.gz LSLWWHYUJFCJCM-UHFFFAOYSA-N 1 0 327.266 3.117 20 10 EGCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000824810870 1320286128 /nfs/dbraw/zinc/28/61/28/1320286128.db2.gz RPWXIHWLHGYNDP-UHFFFAOYSA-N 1 0 337.398 3.402 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000824895150 1320294116 /nfs/dbraw/zinc/29/41/16/1320294116.db2.gz RLYJBIASPZWTCN-WCQYABFASA-N 1 0 326.234 3.013 20 10 EGCDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]1n1cccn1 ZINC000825117825 1320311926 /nfs/dbraw/zinc/31/19/26/1320311926.db2.gz LKWJHYDZCBRFBP-BHIYHBOVSA-N 1 0 341.455 3.105 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1Cl ZINC000825357314 1320331172 /nfs/dbraw/zinc/33/11/72/1320331172.db2.gz CHHHBTWFTVCZPV-DLBZAZTESA-N 1 0 338.879 3.087 20 10 EGCDRO CCOc1ncccc1C[NH2+]Cc1ccc(Br)cc1O ZINC000825423072 1320337195 /nfs/dbraw/zinc/33/71/95/1320337195.db2.gz WXFQHRNBTXQLEM-UHFFFAOYSA-N 1 0 337.217 3.238 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1Cl ZINC000825489415 1320342348 /nfs/dbraw/zinc/34/23/48/1320342348.db2.gz LCWSVQBHDJXGCU-AWEZNQCLSA-N 1 0 339.863 3.372 20 10 EGCDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825641523 1320351889 /nfs/dbraw/zinc/35/18/89/1320351889.db2.gz SRCYPRBHUIBGKC-JTNHKYCSSA-N 1 0 328.250 3.136 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1Cl ZINC000826037280 1320380157 /nfs/dbraw/zinc/38/01/57/1320380157.db2.gz ZFTIXAFLKISSIC-CYBMUJFWSA-N 1 0 338.879 3.468 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(Br)cc1O)C(=O)OC(C)(C)C ZINC000826535000 1320385977 /nfs/dbraw/zinc/38/59/77/1320385977.db2.gz ORFARUQADLHWRI-SNVBAGLBSA-N 1 0 344.249 3.222 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838773084 1320814871 /nfs/dbraw/zinc/81/48/71/1320814871.db2.gz VIABEKFUHYPOSB-INIZCTEOSA-N 1 0 333.476 3.046 20 10 EGCDRO C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000838917073 1320834412 /nfs/dbraw/zinc/83/44/12/1320834412.db2.gz ZAVJYGKLJRPZAP-OAHLLOKOSA-N 1 0 338.455 3.041 20 10 EGCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000839193366 1320891445 /nfs/dbraw/zinc/89/14/45/1320891445.db2.gz XSAVESWONAAZCG-QAPCUYQASA-N 1 0 333.432 3.242 20 10 EGCDRO CCNC(=O)c1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000840930178 1321179890 /nfs/dbraw/zinc/17/98/90/1321179890.db2.gz SEGGUXLERLJOHF-UHFFFAOYSA-N 1 0 325.456 3.101 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000840936853 1321180686 /nfs/dbraw/zinc/18/06/86/1321180686.db2.gz NEPSQAMGMQABDU-CVDCTZTESA-N 1 0 330.497 3.270 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840936987 1321180795 /nfs/dbraw/zinc/18/07/95/1321180795.db2.gz PSTZGVNJKMLFOA-UHFFFAOYSA-N 1 0 346.496 3.144 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000840937011 1321181049 /nfs/dbraw/zinc/18/10/49/1321181049.db2.gz QSHXJSHEWCJFLR-FQEVSTJZSA-N 1 0 328.431 3.294 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000840939344 1321181743 /nfs/dbraw/zinc/18/17/43/1321181743.db2.gz MZYZRCFVBAAYPM-UHFFFAOYSA-N 1 0 343.437 3.425 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000840948054 1321183829 /nfs/dbraw/zinc/18/38/29/1321183829.db2.gz KPTHULNVSUMSDY-GOEBONIOSA-N 1 0 330.394 3.054 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H](O)C(C)C ZINC000840968313 1321189965 /nfs/dbraw/zinc/18/99/65/1321189965.db2.gz WWUQTTOEWVTWLK-GXTWGEPZSA-N 1 0 346.265 3.048 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H](O)C(C)C ZINC000840968315 1321190148 /nfs/dbraw/zinc/19/01/48/1321190148.db2.gz WWUQTTOEWVTWLK-OCCSQVGLSA-N 1 0 346.265 3.048 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc(N(C)C)s1 ZINC000840975492 1321192057 /nfs/dbraw/zinc/19/20/57/1321192057.db2.gz GVFOUGINYIXIMO-AWEZNQCLSA-N 1 0 332.517 3.304 20 10 EGCDRO COCCCn1nccc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975090 1321192456 /nfs/dbraw/zinc/19/24/56/1321192456.db2.gz CYMXAOHGXIXOGS-KRWDZBQOSA-N 1 0 344.503 3.015 20 10 EGCDRO CC[C@](C[NH2+]Cc1cc(C)ccc1O)(C(=O)OC)c1ccccc1 ZINC000840978392 1321193215 /nfs/dbraw/zinc/19/32/15/1321193215.db2.gz OUTAEBSJWJKUQT-HXUWFJFHSA-N 1 0 327.424 3.311 20 10 EGCDRO Cc1nn2c(C[NH2+]CCc3ccc(N)cc3)c(C(C)C)nc2s1 ZINC000841034019 1321205013 /nfs/dbraw/zinc/20/50/13/1321205013.db2.gz FJYHORNUPXOGBN-UHFFFAOYSA-N 1 0 329.473 3.137 20 10 EGCDRO CC[NH2+]CCNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841036106 1321206061 /nfs/dbraw/zinc/20/60/61/1321206061.db2.gz ODYXHTCSDASRLF-UHFFFAOYSA-N 1 0 340.309 3.139 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccccc2Br)cc1 ZINC000841042387 1321207633 /nfs/dbraw/zinc/20/76/33/1321207633.db2.gz JEVOIGFZEVUESZ-KRWDZBQOSA-N 1 0 348.288 3.305 20 10 EGCDRO Cc1ccccc1-n1nccc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041776 1321207875 /nfs/dbraw/zinc/20/78/75/1321207875.db2.gz BUYKSAUSVIFTIP-HXUWFJFHSA-N 1 0 349.482 3.036 20 10 EGCDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841072086 1321213707 /nfs/dbraw/zinc/21/37/07/1321213707.db2.gz FYQMKDJZEKTKES-GOSISDBHSA-N 1 0 346.475 3.063 20 10 EGCDRO C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841306967 1321252024 /nfs/dbraw/zinc/25/20/24/1321252024.db2.gz PFQJCLQFOYYSGA-AWEZNQCLSA-N 1 0 326.444 3.355 20 10 EGCDRO CN(C)c1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000841652650 1321292279 /nfs/dbraw/zinc/29/22/79/1321292279.db2.gz FFHRXEGCKGRXLV-IBGZPJMESA-N 1 0 340.471 3.032 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841747570 1321305447 /nfs/dbraw/zinc/30/54/47/1321305447.db2.gz GITBBRUUPNLUJT-LBPRGKRZSA-N 1 0 349.814 3.448 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(Cl)cc1O ZINC000841749483 1321306304 /nfs/dbraw/zinc/30/63/04/1321306304.db2.gz FHDXUXAIRVFHSD-ZDUSSCGKSA-N 1 0 332.831 3.055 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3COC(C)(C)C3)cc2F)C[C@H](C)O1 ZINC000841854480 1321323575 /nfs/dbraw/zinc/32/35/75/1321323575.db2.gz ALWKUNNDFXCSJU-IJEWVQPXSA-N 1 0 336.451 3.096 20 10 EGCDRO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CO1 ZINC000841859996 1321324285 /nfs/dbraw/zinc/32/42/85/1321324285.db2.gz KNZSXIKNLVFRGY-CQSZACIVSA-N 1 0 340.414 3.414 20 10 EGCDRO C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ccc(N(C)C)cc1 ZINC000841880822 1321325733 /nfs/dbraw/zinc/32/57/33/1321325733.db2.gz IDKRMRIDTDJAOU-MRXNPFEDSA-N 1 0 346.519 3.364 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841927383 1321330733 /nfs/dbraw/zinc/33/07/33/1321330733.db2.gz KWVZZTVHINQSML-SJLPKXTDSA-N 1 0 346.519 3.061 20 10 EGCDRO CC(C)C[C@H](C[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000841952106 1321332026 /nfs/dbraw/zinc/33/20/26/1321332026.db2.gz STBZUSZJANAXPD-QGZVFWFLSA-N 1 0 334.508 3.046 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841971697 1321332824 /nfs/dbraw/zinc/33/28/24/1321332824.db2.gz ZVIQEQHBJINXBU-LJQANCHMSA-N 1 0 333.476 3.094 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842893045 1321446164 /nfs/dbraw/zinc/44/61/64/1321446164.db2.gz JAAIGRNWYMOEKP-HNNXBMFYSA-N 1 0 344.430 3.005 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(N2CCNC2=O)cc1 ZINC000842899180 1321447718 /nfs/dbraw/zinc/44/77/18/1321447718.db2.gz BPJHNFRGUVNGKA-OLZOCXBDSA-N 1 0 343.402 3.473 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)c1cc(F)ccc1O ZINC000842899181 1321447883 /nfs/dbraw/zinc/44/78/83/1321447883.db2.gz BPJHNFRGUVNGKA-QWHCGFSZSA-N 1 0 343.402 3.473 20 10 EGCDRO C[C@@H]([NH2+]CCCCCC[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000843342749 1321502881 /nfs/dbraw/zinc/50/28/81/1321502881.db2.gz TWPFTNPFNWAGHP-SNVBAGLBSA-N 1 0 333.245 3.464 20 10 EGCDRO C[C@H](C(=O)Nc1c(F)cccc1F)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349715 1321503646 /nfs/dbraw/zinc/50/36/46/1321503646.db2.gz JNXFAJRXLAXJCD-GFCCVEGCSA-N 1 0 345.393 3.203 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccn(-c2cccc(F)c2)n1 ZINC000843350287 1321504003 /nfs/dbraw/zinc/50/40/03/1321504003.db2.gz LWMQJRJDHFJPBQ-UHFFFAOYSA-N 1 0 336.414 3.423 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1O ZINC000843432226 1321518451 /nfs/dbraw/zinc/51/84/51/1321518451.db2.gz SFWUILSHOSGTCS-LBPRGKRZSA-N 1 0 325.836 3.445 20 10 EGCDRO CC(C)(C)c1ncc(/C=C\C(=O)N2C[C@H]([NH3+])Cc3ccccc32)s1 ZINC000844199787 1321578032 /nfs/dbraw/zinc/57/80/32/1321578032.db2.gz SZTCXWHITSUQML-QIAWRQBBSA-N 1 0 341.480 3.370 20 10 EGCDRO C[C@H](c1nc(-c2cccnc2)no1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844220077 1321580083 /nfs/dbraw/zinc/58/00/83/1321580083.db2.gz RGZMRDDBZYRACV-CYBMUJFWSA-N 1 0 335.411 3.104 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C1CC1 ZINC000844761354 1321644398 /nfs/dbraw/zinc/64/43/98/1321644398.db2.gz IMELJHJLKWVAMD-FUHWJXTLSA-N 1 0 325.408 3.176 20 10 EGCDRO C[NH+](C)C1(CNC(=O)NCc2cc(Cl)ccc2O)CCCCC1 ZINC000844853562 1321651223 /nfs/dbraw/zinc/65/12/23/1321651223.db2.gz RTSPBQQKDMSAJJ-UHFFFAOYSA-N 1 0 339.867 3.109 20 10 EGCDRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000845948979 1321758158 /nfs/dbraw/zinc/75/81/58/1321758158.db2.gz FBLHZTDABLEMRR-KPFFTGBYSA-N 1 0 343.515 3.447 20 10 EGCDRO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000846013583 1321762262 /nfs/dbraw/zinc/76/22/62/1321762262.db2.gz CRUGWJXMYIVKJB-QGZVFWFLSA-N 1 0 336.451 3.052 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccccc2NC(C)=O)cc1 ZINC000846051283 1321764237 /nfs/dbraw/zinc/76/42/37/1321764237.db2.gz FANBSOSZPFVHOL-UHFFFAOYSA-N 1 0 341.455 3.222 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1O ZINC000846141060 1321770565 /nfs/dbraw/zinc/77/05/65/1321770565.db2.gz KHWPEBVHVISLRS-HNNXBMFYSA-N 1 0 341.455 3.111 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846139679 1321770977 /nfs/dbraw/zinc/77/09/77/1321770977.db2.gz RAXZMOKVUBAHDF-CQSZACIVSA-N 1 0 331.412 3.277 20 10 EGCDRO CCN(CC[NH2+][C@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000846143680 1321771310 /nfs/dbraw/zinc/77/13/10/1321771310.db2.gz FQUFSXVFINZFEG-CYBMUJFWSA-N 1 0 338.448 3.308 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1O ZINC000846147834 1321772039 /nfs/dbraw/zinc/77/20/39/1321772039.db2.gz WXVVUEHIZDJWAU-AWEZNQCLSA-N 1 0 344.459 3.002 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1O ZINC000846156039 1321772797 /nfs/dbraw/zinc/77/27/97/1321772797.db2.gz RTLPBAXXUHGCMS-GRDNDAEWSA-N 1 0 340.423 3.245 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1O ZINC000846163766 1321772978 /nfs/dbraw/zinc/77/29/78/1321772978.db2.gz KNSLCKCSFACSAX-CYBMUJFWSA-N 1 0 325.412 3.181 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c1O ZINC000846172656 1321774108 /nfs/dbraw/zinc/77/41/08/1321774108.db2.gz ZYRCSDKJDZKFBZ-OAHLLOKOSA-N 1 0 342.439 3.088 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000846209958 1321775962 /nfs/dbraw/zinc/77/59/62/1321775962.db2.gz UKKFFSNCYGKODP-QGZVFWFLSA-N 1 0 329.488 3.340 20 10 EGCDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000846209714 1321776198 /nfs/dbraw/zinc/77/61/98/1321776198.db2.gz SMKMMWBPQVBWRO-JKSUJKDBSA-N 1 0 347.478 3.335 20 10 EGCDRO CCc1cccc(C[NH2+]C2CCN(C(=O)C(CC)CC)CC2)c1O ZINC000848894439 1322032703 /nfs/dbraw/zinc/03/27/03/1322032703.db2.gz LSIQHBUFFFAXFU-UHFFFAOYSA-N 1 0 332.488 3.471 20 10 EGCDRO CCc1cc(N2CCC([NH2+]Cc3cccc(CC)c3O)CC2)ncn1 ZINC000848897985 1322037266 /nfs/dbraw/zinc/03/72/66/1322037266.db2.gz NWAPNNYZKKBRTE-UHFFFAOYSA-N 1 0 340.471 3.066 20 10 EGCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC000848918719 1322045799 /nfs/dbraw/zinc/04/57/99/1322045799.db2.gz JKYNUHHWGJLGPQ-UHFFFAOYSA-N 1 0 332.444 3.225 20 10 EGCDRO CC(C)[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000920274131 1322157511 /nfs/dbraw/zinc/15/75/11/1322157511.db2.gz LCCFTQQMUJWKFB-IBGZPJMESA-N 1 0 331.504 3.222 20 10 EGCDRO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000850011462 1322180442 /nfs/dbraw/zinc/18/04/42/1322180442.db2.gz PKCHTOUGTYRNHM-MRXNPFEDSA-N 1 0 328.456 3.456 20 10 EGCDRO OC/C=C\C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000850357762 1322233065 /nfs/dbraw/zinc/23/30/65/1322233065.db2.gz UQHZXAPSXLVZPM-DJWKRKHSSA-N 1 0 339.277 3.078 20 10 EGCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(C)cc1O ZINC000850531045 1322261509 /nfs/dbraw/zinc/26/15/09/1322261509.db2.gz GNWCXICDMPTFBR-INIZCTEOSA-N 1 0 339.501 3.489 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1 ZINC000850563475 1322269127 /nfs/dbraw/zinc/26/91/27/1322269127.db2.gz YPTFTNYCZGHXTJ-UZLBHIALSA-N 1 0 334.504 3.361 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1O ZINC000850566806 1322269717 /nfs/dbraw/zinc/26/97/17/1322269717.db2.gz SUYXBTGISPGVNS-OAHLLOKOSA-N 1 0 326.440 3.204 20 10 EGCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000850750369 1322283369 /nfs/dbraw/zinc/28/33/69/1322283369.db2.gz JTLHORYIZKHQKX-LJQANCHMSA-N 1 0 338.455 3.050 20 10 EGCDRO FC(F)(F)Cn1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921856147 1322413113 /nfs/dbraw/zinc/41/31/13/1322413113.db2.gz WCSZIHFPGYFGMW-UHFFFAOYSA-N 1 0 325.334 3.060 20 10 EGCDRO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000924572496 1323057586 /nfs/dbraw/zinc/05/75/86/1323057586.db2.gz CUIAYHVKEZTTJN-VLIAUNLRSA-N 1 0 343.446 3.247 20 10 EGCDRO CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000851656067 1323068820 /nfs/dbraw/zinc/06/88/20/1323068820.db2.gz FFNNSEWYSSZDTK-UHFFFAOYSA-N 1 0 346.519 3.334 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000852019229 1323134311 /nfs/dbraw/zinc/13/43/11/1323134311.db2.gz VVAFFMJNOLPOSM-RYQLBKOJSA-N 1 0 330.472 3.442 20 10 EGCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759463 1323148055 /nfs/dbraw/zinc/14/80/55/1323148055.db2.gz JRWUXQVOFMPXTF-LBPRGKRZSA-N 1 0 347.434 3.242 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)CO)cc2)CC1 ZINC000852429269 1323191068 /nfs/dbraw/zinc/19/10/68/1323191068.db2.gz ZGFNZKYAMUSHSW-LAUBAEHRSA-N 1 0 346.515 3.285 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)ccc1N1CCCCC1 ZINC000852497230 1323198855 /nfs/dbraw/zinc/19/88/55/1323198855.db2.gz UNXMYWNBPRSKQV-RBUKOAKNSA-N 1 0 341.499 3.086 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1 ZINC000852792291 1323242679 /nfs/dbraw/zinc/24/26/79/1323242679.db2.gz UXXAEUGVZSXRHX-QRFRQXIXSA-N 1 0 343.515 3.475 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1 ZINC000852791991 1323243676 /nfs/dbraw/zinc/24/36/76/1323243676.db2.gz ONTXDCMVLSISTC-KZNAEPCWSA-N 1 0 329.488 3.085 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000852860169 1323247923 /nfs/dbraw/zinc/24/79/23/1323247923.db2.gz LYXSMIWUMDOVKE-UHFFFAOYSA-N 1 0 337.467 3.109 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)/C=C\C2CC2)cc1C ZINC001024913258 1323778133 /nfs/dbraw/zinc/77/81/33/1323778133.db2.gz XYXUSHYDUTWICV-ZMOVQZPESA-N 1 0 342.483 3.441 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025632467 1324484010 /nfs/dbraw/zinc/48/40/10/1324484010.db2.gz KRRQKOGOZCMWED-HIFRSBDPSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3coc(C)c3)C2)cc1C ZINC001026803527 1325028163 /nfs/dbraw/zinc/02/81/63/1325028163.db2.gz OOGYYLIBJNCFFC-KRWDZBQOSA-N 1 0 342.439 3.157 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000853521227 1325112253 /nfs/dbraw/zinc/11/22/53/1325112253.db2.gz TVJBPTQCMUWOJC-UHFFFAOYSA-N 1 0 338.448 3.056 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(C)(C)C3CC3)C2)cc1C ZINC001027011308 1325151383 /nfs/dbraw/zinc/15/13/83/1325151383.db2.gz PVRWCZRQBMDZKP-QGZVFWFLSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1 ZINC000854223069 1325229851 /nfs/dbraw/zinc/22/98/51/1325229851.db2.gz CCVRVVKNAUAVJI-OMWUSAIZSA-N 1 0 344.430 3.336 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000857002606 1325552500 /nfs/dbraw/zinc/55/25/00/1325552500.db2.gz HAILSGNJQHJTGR-HNNXBMFYSA-N 1 0 335.467 3.068 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000857003068 1325553620 /nfs/dbraw/zinc/55/36/20/1325553620.db2.gz QAYJZCFTFQEHGA-SFHVURJKSA-N 1 0 343.515 3.319 20 10 EGCDRO CC[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000927084870 1327853961 /nfs/dbraw/zinc/85/39/61/1327853961.db2.gz WOADZEZIZILNKV-TZMCWYRMSA-N 1 0 333.350 3.257 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000862237623 1329469508 /nfs/dbraw/zinc/46/95/08/1329469508.db2.gz BGAUZVTZDOTIGI-GFCCVEGCSA-N 1 0 336.233 3.188 20 10 EGCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)CC1(C)C ZINC000862385760 1329481104 /nfs/dbraw/zinc/48/11/04/1329481104.db2.gz DHPQYXNPHHMXJR-CQSZACIVSA-N 1 0 328.250 3.402 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000862484738 1329490506 /nfs/dbraw/zinc/49/05/06/1329490506.db2.gz AIANTXKYTXQHFL-ZIAGYGMSSA-N 1 0 335.444 3.201 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)Cc2ccccc21 ZINC000862537720 1329493952 /nfs/dbraw/zinc/49/39/52/1329493952.db2.gz FWDFDXSESPVLJK-CQSZACIVSA-N 1 0 331.799 3.318 20 10 EGCDRO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000933567222 1329901726 /nfs/dbraw/zinc/90/17/26/1329901726.db2.gz IGRCNYKBTRCKGX-MRXNPFEDSA-N 1 0 328.460 3.207 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c(O)c1 ZINC000866436725 1330112173 /nfs/dbraw/zinc/11/21/73/1330112173.db2.gz RAOLTDDXSXPBQX-AAEUAGOBSA-N 1 0 328.338 3.055 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](n2cncn2)C(F)(F)F)c2c1c(F)ccc2O ZINC000866436692 1330112251 /nfs/dbraw/zinc/11/22/51/1330112251.db2.gz QRAQOBCXZPJYPV-HLUHBDAQSA-N 1 0 344.312 3.064 20 10 EGCDRO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccccc2O)[NH+](C)C)cc1 ZINC000868212681 1330262672 /nfs/dbraw/zinc/26/26/72/1330262672.db2.gz ADQXAFXEIKXNGJ-QAPCUYQASA-N 1 0 341.455 3.364 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC3CCC3)C2)cc1C ZINC001018685457 1339701181 /nfs/dbraw/zinc/70/11/81/1339701181.db2.gz SYGUEKSQIFVZPZ-SFHVURJKSA-N 1 0 330.472 3.274 20 10 EGCDRO CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699136 1341965815 /nfs/dbraw/zinc/96/58/15/1341965815.db2.gz LHDFHLNWBUVWRX-CZUORRHYSA-N 1 0 345.447 3.041 20 10 EGCDRO C/C=C(\C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001035979151 1343298138 /nfs/dbraw/zinc/29/81/38/1343298138.db2.gz XOLMHSHWUVAJBU-AVIGNLCVSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C2=CCCC2)cc1C ZINC001036982298 1343909340 /nfs/dbraw/zinc/90/93/40/1343909340.db2.gz KUVIRDCSNGOOKI-RTBURBONSA-N 1 0 342.483 3.488 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C(C)(C)C)cc1C ZINC001037141244 1343990838 /nfs/dbraw/zinc/99/08/38/1343990838.db2.gz YKJXYSOVRWCGNC-IAGOWNOFSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(C)F)[C@H](C)C2)cc1C ZINC001044414329 1346321587 /nfs/dbraw/zinc/32/15/87/1346321587.db2.gz UFQCXVKLXAJNPF-ZBFHGGJFSA-N 1 0 336.451 3.221 20 10 EGCDRO C/C=C(/C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001044536433 1346361745 /nfs/dbraw/zinc/36/17/45/1346361745.db2.gz VREJUCZCJYBIJA-NCKXEGHVSA-N 1 0 330.472 3.439 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C)C2CC2)cc1C ZINC001044978062 1346473323 /nfs/dbraw/zinc/47/33/23/1346473323.db2.gz AMJMUBZLAMGYDX-YJBOKZPZSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C(F)=C(C)C)cc1C ZINC001044990656 1346476422 /nfs/dbraw/zinc/47/64/22/1346476422.db2.gz NNAXVWMRSPCWAK-INIZCTEOSA-N 1 0 334.435 3.348 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CC3CC3)C2)cc1C ZINC001047671124 1347323918 /nfs/dbraw/zinc/32/39/18/1347323918.db2.gz JYECWNNZQFJSHX-MAUKXSAKSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3ccco3)C2)cc1C ZINC001047695194 1347335617 /nfs/dbraw/zinc/33/56/17/1347335617.db2.gz YOIPXCRYZCQYLG-RDJZCZTQSA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3ccoc3)C2)cc1C ZINC001047715305 1347345971 /nfs/dbraw/zinc/34/59/71/1347345971.db2.gz GBHWHWABLKJDFX-WBVHZDCISA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3ccoc3)C2)cc1C ZINC001047715303 1347346195 /nfs/dbraw/zinc/34/61/95/1347346195.db2.gz GBHWHWABLKJDFX-NVXWUHKLSA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3(C4CC4)CC3)C[C@@H]2C)cc1C ZINC001054778902 1349459011 /nfs/dbraw/zinc/45/90/11/1349459011.db2.gz UFWOSOZLCFMAIH-YJBOKZPZSA-N 1 0 342.483 3.130 20 10 EGCDRO CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001072103181 1355132525 /nfs/dbraw/zinc/13/25/25/1355132525.db2.gz VGGXEFJRPMUBNU-CJNGLKHVSA-N 1 0 345.447 3.232 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)F)C23CCC3)cc1C ZINC001078531881 1356999661 /nfs/dbraw/zinc/99/96/61/1356999661.db2.gz RZGGKVQRGDSJOJ-DLBZAZTESA-N 1 0 348.462 3.269 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H](C)C3CC3)C[C@H]2C)cc1C ZINC001082946873 1358107793 /nfs/dbraw/zinc/10/77/93/1358107793.db2.gz VAVNZDAVYPZTMY-ZSZQSSIHSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc[nH]2)cc1C ZINC001085131398 1358406205 /nfs/dbraw/zinc/40/62/05/1358406205.db2.gz LMCCXOKVHMKNAA-IAGOWNOFSA-N 1 0 341.455 3.163 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC23CC3)cc1C ZINC001085344361 1358473589 /nfs/dbraw/zinc/47/35/89/1358473589.db2.gz YIJQEOOMJCIWIX-RCCFBDPRSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3=CCCC3)C2)cc1C ZINC001086672851 1359182080 /nfs/dbraw/zinc/18/20/80/1359182080.db2.gz FSWZSRXIEPDXHN-PKOBYXMFSA-N 1 0 342.483 3.488 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3(F)CCCC3)C2)cc1C ZINC001100467670 1364125663 /nfs/dbraw/zinc/12/56/63/1364125663.db2.gz JBWGTPVAQACOEK-UHFFFAOYSA-N 1 0 348.462 3.270 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCCCCC[NH+](C)C)c1 ZINC001186848044 1388013968 /nfs/dbraw/zinc/01/39/68/1388013968.db2.gz CHTJHLKNSKQOJT-UHFFFAOYSA-N 1 0 343.471 3.261 20 10 EGCDRO Oc1ccccc1C[NH+]1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC001203552492 1370166894 /nfs/dbraw/zinc/16/68/94/1370166894.db2.gz MUBAOHWAVWVXDA-IBGZPJMESA-N 1 0 345.483 3.438 20 10 EGCDRO Oc1ccccc1C[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001203555710 1370168690 /nfs/dbraw/zinc/16/86/90/1370168690.db2.gz CZNHIQKIRFCBMN-UHFFFAOYSA-N 1 0 327.306 3.174 20 10 EGCDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4ccccc4O)CC[N@@H+]3C2)cc1 ZINC001203556769 1370168737 /nfs/dbraw/zinc/16/87/37/1370168737.db2.gz WLEQVRAOURHLFW-UYAOXDASSA-N 1 0 338.451 3.038 20 10 EGCDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203563085 1370171128 /nfs/dbraw/zinc/17/11/28/1370171128.db2.gz VEAVYGLYJQLBLV-GOSISDBHSA-N 1 0 325.408 3.348 20 10 EGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)c1 ZINC001203595787 1370182055 /nfs/dbraw/zinc/18/20/55/1370182055.db2.gz LUTVXJRHEMUCGQ-SFHVURJKSA-N 1 0 343.423 3.453 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001203602335 1370184640 /nfs/dbraw/zinc/18/46/40/1370184640.db2.gz PUDRPGTXQRXGLW-WBMJQRKESA-N 1 0 347.377 3.316 20 10 EGCDRO CCOc1cccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c1O ZINC001203617112 1370189455 /nfs/dbraw/zinc/18/94/55/1370189455.db2.gz HOPSSKLJXGUWMH-DLBZAZTESA-N 1 0 336.451 3.189 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(N(CC)C(=O)CC)CC2)c1O ZINC001203617203 1370189469 /nfs/dbraw/zinc/18/94/69/1370189469.db2.gz LRKKYWRVBWSRGR-UHFFFAOYSA-N 1 0 334.460 3.014 20 10 EGCDRO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c(O)c1 ZINC001203623137 1370190993 /nfs/dbraw/zinc/19/09/93/1370190993.db2.gz JOQSWYZAPCWIMK-BPAFIMBUSA-N 1 0 331.456 3.428 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3c(C)cccc3C)CC2)c(O)c1 ZINC001203634565 1370195410 /nfs/dbraw/zinc/19/54/10/1370195410.db2.gz LZPXTCUPMZRSAH-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO Cc1cncnc1O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665191 1370207973 /nfs/dbraw/zinc/20/79/73/1370207973.db2.gz AFVQVLNEFAHXRI-HNNXBMFYSA-N 1 0 333.819 3.187 20 10 EGCDRO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(O)c(O)c1 ZINC001203879192 1370297662 /nfs/dbraw/zinc/29/76/62/1370297662.db2.gz GWYFRLDYHDFUPA-CQSZACIVSA-N 1 0 331.412 3.144 20 10 EGCDRO COc1ccccc1[C@@H](O)C[N@H+](Cc1ccc(O)c(O)c1)C(C)C ZINC001203880749 1370298569 /nfs/dbraw/zinc/29/85/69/1370298569.db2.gz YNFHZRMDXOVQQM-SFHVURJKSA-N 1 0 331.412 3.050 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccccc3F)CC2)cc1 ZINC001203934311 1370321031 /nfs/dbraw/zinc/32/10/31/1370321031.db2.gz PTFSLDMBFGETQR-UHFFFAOYSA-N 1 0 327.447 3.210 20 10 EGCDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937684 1370321938 /nfs/dbraw/zinc/32/19/38/1370321938.db2.gz LOPCJRBKUBSTMD-RDJZCZTQSA-N 1 0 347.503 3.488 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)cc1 ZINC001203939786 1370323452 /nfs/dbraw/zinc/32/34/52/1370323452.db2.gz VQSMEXCNJQSQPP-UHFFFAOYSA-N 1 0 349.478 3.382 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[NH+](CCCCOC)CC2)cc1 ZINC001203943515 1370324475 /nfs/dbraw/zinc/32/44/75/1370324475.db2.gz FCCCSRVSMRTIGQ-UHFFFAOYSA-N 1 0 333.520 3.077 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)cc1 ZINC001203958720 1370330894 /nfs/dbraw/zinc/33/08/94/1370330894.db2.gz JRPXLURWKZNJKQ-UHFFFAOYSA-N 1 0 326.440 3.334 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c2ccccc21 ZINC001204240905 1370418550 /nfs/dbraw/zinc/41/85/50/1370418550.db2.gz KFLROSYLCUJKNX-KRWDZBQOSA-N 1 0 337.467 3.103 20 10 EGCDRO CN(C)c1ccc(CN2CCN(C(C)(C)C)C(=O)C2)c2ccccc21 ZINC001204242436 1370419911 /nfs/dbraw/zinc/41/99/11/1370419911.db2.gz PJBIOWZGBLDZFO-UHFFFAOYSA-N 1 0 339.483 3.349 20 10 EGCDRO COc1ccccc1S[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277769 1370430684 /nfs/dbraw/zinc/43/06/84/1370430684.db2.gz LNZZZGXVVQGIFY-OAHLLOKOSA-N 1 0 331.437 3.473 20 10 EGCDRO COc1cc(C)ccc1OC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204281603 1370430950 /nfs/dbraw/zinc/43/09/50/1370430950.db2.gz XCWNCCBDGPFZMQ-UHFFFAOYSA-N 1 0 343.423 3.458 20 10 EGCDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204322166 1370443765 /nfs/dbraw/zinc/44/37/65/1370443765.db2.gz PCLPKMCSWPJTLJ-UHFFFAOYSA-N 1 0 345.487 3.340 20 10 EGCDRO Cc1cncnc1O[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329049 1370445654 /nfs/dbraw/zinc/44/56/54/1370445654.db2.gz DDIKSIXVOQXUEP-LJQANCHMSA-N 1 0 338.455 3.039 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1O ZINC001204337374 1370447294 /nfs/dbraw/zinc/44/72/94/1370447294.db2.gz FZJCQOXTBGYARJ-KOLCDFICSA-N 1 0 348.187 3.250 20 10 EGCDRO COc1cccc([C@H]2CCC[N@H+](Cc3cc(O)c(O)c(OC)c3)C2)c1 ZINC001204348347 1370449518 /nfs/dbraw/zinc/44/95/18/1370449518.db2.gz CGDKYVVPRJHXEB-INIZCTEOSA-N 1 0 343.423 3.495 20 10 EGCDRO CC[N@H+](CCc1ccc(OC)cc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204348801 1370449782 /nfs/dbraw/zinc/44/97/82/1370449782.db2.gz INXHGXQJMOYCAE-UHFFFAOYSA-N 1 0 331.412 3.180 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc(O)c1O ZINC001204351392 1370450485 /nfs/dbraw/zinc/45/04/85/1370450485.db2.gz QLEGLZYDCVBHCF-INIZCTEOSA-N 1 0 331.387 3.453 20 10 EGCDRO C[C@]1([NH3+])CCN(Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001204791754 1370576876 /nfs/dbraw/zinc/57/68/76/1370576876.db2.gz SCIJTTPBYPXZIS-INIZCTEOSA-N 1 0 335.245 3.231 20 10 EGCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)cc2F)CC1 ZINC001116440214 1370911690 /nfs/dbraw/zinc/91/16/90/1370911690.db2.gz BIUHJFWABZKTHE-HKUYNNGSSA-N 1 0 331.479 3.342 20 10 EGCDRO C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001206573530 1371097349 /nfs/dbraw/zinc/09/73/49/1371097349.db2.gz MWWHMVDEXMZKPW-HNNXBMFYSA-N 1 0 345.256 3.245 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC001118994512 1371262877 /nfs/dbraw/zinc/26/28/77/1371262877.db2.gz WUNBNVZDPDKNPX-NQBHXWOUSA-N 1 0 340.349 3.234 20 10 EGCDRO CC(C)([NH3+])CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001119484057 1371352431 /nfs/dbraw/zinc/35/24/31/1371352431.db2.gz ZMDIYWQNNXJDBB-UHFFFAOYSA-N 1 0 333.476 3.364 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001207374217 1371378248 /nfs/dbraw/zinc/37/82/48/1371378248.db2.gz FXNZJNHTMXRJSO-OAHLLOKOSA-N 1 0 332.444 3.150 20 10 EGCDRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC001120038281 1371465919 /nfs/dbraw/zinc/46/59/19/1371465919.db2.gz OPHNDOFHWJFDPN-AWEZNQCLSA-N 1 0 345.439 3.386 20 10 EGCDRO FC(F)(F)Oc1ccc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)cc1 ZINC001207963596 1371552321 /nfs/dbraw/zinc/55/23/21/1371552321.db2.gz HQTIOEWBVDPUNT-INIZCTEOSA-N 1 0 344.377 3.276 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@H](C)OCc3ccccc3)CC2)cc1 ZINC001208699592 1371866032 /nfs/dbraw/zinc/86/60/32/1371866032.db2.gz YLYMPIGBNVDWMC-SFHVURJKSA-N 1 0 340.467 3.423 20 10 EGCDRO CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001209011827 1371974176 /nfs/dbraw/zinc/97/41/76/1371974176.db2.gz VKEBOGOTFHTWMK-SHTZXODSSA-N 1 0 347.455 3.216 20 10 EGCDRO COc1ccc(N2CC[NH+](CC3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC001209401520 1372093106 /nfs/dbraw/zinc/09/31/06/1372093106.db2.gz GDHYGIUTNCQKQV-IRXDYDNUSA-N 1 0 332.488 3.329 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC001209517100 1372127224 /nfs/dbraw/zinc/12/72/24/1372127224.db2.gz YBXSNBNNIIPEGP-UHFFFAOYSA-N 1 0 326.440 3.433 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCN(c3ccncn3)CC2)cc1 ZINC001209520503 1372127496 /nfs/dbraw/zinc/12/74/96/1372127496.db2.gz ZQQDTMVFZNGXTQ-UHFFFAOYSA-N 1 0 347.466 3.206 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC3(CC3)C2)cc1C ZINC001127234885 1373106933 /nfs/dbraw/zinc/10/69/33/1373106933.db2.gz HAVNEUJLFBJAET-KRWDZBQOSA-N 1 0 330.472 3.180 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cscc2Cl)cc1C ZINC001130006886 1373445958 /nfs/dbraw/zinc/44/59/58/1373445958.db2.gz XDJWAFMVAPUKAI-UHFFFAOYSA-N 1 0 338.860 3.238 20 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/nfs/dbraw/zinc/26/36/02/1376263602.db2.gz AHPFQRAXDPGEFK-HOTGVXAUSA-N 1 0 346.471 3.071 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)[C@H]1c1ccccc1 ZINC001231592917 1376274338 /nfs/dbraw/zinc/27/43/38/1376274338.db2.gz WSRNUACVYPZCQW-MSOLQXFVSA-N 1 0 325.408 3.437 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1O ZINC001231592853 1376274462 /nfs/dbraw/zinc/27/44/62/1376274462.db2.gz KZWNVQZZTDRDNG-NVXWUHKLSA-N 1 0 343.496 3.254 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)/C=C/C2CC2)cc1C ZINC001134009422 1376310627 /nfs/dbraw/zinc/31/06/27/1376310627.db2.gz VBQBUZZPHKNLNG-ZGWZEZEDSA-N 1 0 330.472 3.343 20 10 EGCDRO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231910030 1376345490 /nfs/dbraw/zinc/34/54/90/1376345490.db2.gz JYTCBPBCULRLLL-IBGZPJMESA-N 1 0 348.874 3.270 20 10 EGCDRO CN(Cc1ccccc1O)Cc1nc(Br)ccc1F ZINC001231945268 1376359166 /nfs/dbraw/zinc/35/91/66/1376359166.db2.gz LZWXQVXHEUJHRE-UHFFFAOYSA-N 1 0 325.181 3.321 20 10 EGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232270530 1376427289 /nfs/dbraw/zinc/42/72/89/1376427289.db2.gz DDOHKNPORFFPMH-GFCCVEGCSA-N 1 0 341.835 3.219 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(c3nc(C)no3)CC2)cc1Cl ZINC001232268662 1376428066 /nfs/dbraw/zinc/42/80/66/1376428066.db2.gz QDJGKORBCRBVBT-UHFFFAOYSA-N 1 0 337.807 3.125 20 10 EGCDRO COC[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)Cc2ncn(C)c21 ZINC001233285158 1376602918 /nfs/dbraw/zinc/60/29/18/1376602918.db2.gz VGQLQACGSUJCMR-HNNXBMFYSA-N 1 0 343.471 3.169 20 10 EGCDRO COCC[N@H+](Cc1cc(C(C)(C)C)ccc1O)C1CCN(C)CC1 ZINC001233285386 1376604566 /nfs/dbraw/zinc/60/45/66/1376604566.db2.gz DPTNUMCEPHYIGN-UHFFFAOYSA-N 1 0 334.504 3.232 20 10 EGCDRO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3O)C2)n1 ZINC001233287338 1376604819 /nfs/dbraw/zinc/60/48/19/1376604819.db2.gz LAFXRBYZLSMZRL-QGZVFWFLSA-N 1 0 341.455 3.441 20 10 EGCDRO COc1cc(Cl)cc(CN2CC[NH+](CC3CCCC3)CC2)c1O ZINC001233289902 1376605564 /nfs/dbraw/zinc/60/55/64/1376605564.db2.gz WVJIZTNHTKFTHT-UHFFFAOYSA-N 1 0 338.879 3.362 20 10 EGCDRO CCOC(=O)c1ccnc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)c1 ZINC001233328116 1376616178 /nfs/dbraw/zinc/61/61/78/1376616178.db2.gz WPXIUTJNKHAAES-UHFFFAOYSA-N 1 0 341.455 3.346 20 10 EGCDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)cc1 ZINC001233486267 1376652799 /nfs/dbraw/zinc/65/27/99/1376652799.db2.gz FVWGGEZHVNEHPB-OAHLLOKOSA-N 1 0 343.423 3.267 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(OCc3ccccc3F)CC2)cc1O ZINC001233485213 1376653451 /nfs/dbraw/zinc/65/34/51/1376653451.db2.gz NBMWPIWINPBWCR-UHFFFAOYSA-N 1 0 347.386 3.124 20 10 EGCDRO CCN(CC)c1ccc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC001236240477 1376944199 /nfs/dbraw/zinc/94/41/99/1376944199.db2.gz PGPOJSVSROQBBQ-LJQANCHMSA-N 1 0 331.504 3.258 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CO)CC2)cc1Br ZINC001237675685 1376982609 /nfs/dbraw/zinc/98/26/09/1376982609.db2.gz ACCVHRQLYRMIQB-LBPRGKRZSA-N 1 0 328.250 3.058 20 10 EGCDRO COc1cc(C[NH+]2CCC(c3ccccn3)CC2)c(O)c(OC)c1 ZINC001237676253 1376983493 /nfs/dbraw/zinc/98/34/93/1376983493.db2.gz MFXDISPSGDNICL-UHFFFAOYSA-N 1 0 328.412 3.184 20 10 EGCDRO CC[C@H]1C[C@@H](N2CCc3c(c4cc(OC)ccc4n3C)C2)CC[NH2+]1 ZINC001246820038 1377055288 /nfs/dbraw/zinc/05/52/88/1377055288.db2.gz DWOOOQKASSWOFF-GJZGRUSLSA-N 1 0 327.472 3.076 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(C)(F)F)cc1C ZINC001135429310 1377092888 /nfs/dbraw/zinc/09/28/88/1377092888.db2.gz FFUGZUNIFKWSEU-KBPBESRZSA-N 1 0 342.430 3.422 20 10 EGCDRO CC[C@@H]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001136084574 1377337879 /nfs/dbraw/zinc/33/78/79/1377337879.db2.gz OBWZFSUMEPECMW-QZTJIDSGSA-N 1 0 332.488 3.426 20 10 EGCDRO CC(=O)NC1CC[NH+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137854461 1377631534 /nfs/dbraw/zinc/63/15/34/1377631534.db2.gz XUCNYKUDNYDTME-UHFFFAOYSA-N 1 0 325.456 3.195 20 10 EGCDRO Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(F)c4[O-])C[C@@H]3C2)cc1 ZINC001138124958 1377680724 /nfs/dbraw/zinc/68/07/24/1377680724.db2.gz FOJNUICENBJVBD-OALUTQOASA-N 1 0 340.442 3.404 20 10 EGCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138129445 1377682345 /nfs/dbraw/zinc/68/23/45/1377682345.db2.gz DGXJGYUPTYFSRL-IEBWSBKVSA-N 1 0 340.442 3.485 20 10 EGCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC001138222371 1377691121 /nfs/dbraw/zinc/69/11/21/1377691121.db2.gz UQMGLBRREMBFQW-QUCCMNQESA-N 1 0 341.499 3.120 20 10 EGCDRO CCO[C@@H]1C[N@H+](Cc2c3ccccc3n(C)c2C)[C@@H]2CCCO[C@H]12 ZINC001138254026 1377693930 /nfs/dbraw/zinc/69/39/30/1377693930.db2.gz OEQCVZLGPMGSAJ-AQNXPRMDSA-N 1 0 328.456 3.255 20 10 EGCDRO Cc1c(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c2ccccc2n1C ZINC001138259958 1377694910 /nfs/dbraw/zinc/69/49/10/1377694910.db2.gz SPMJRNKYNLUIFT-INIZCTEOSA-N 1 0 336.439 3.238 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)[C@@H](C)C1 ZINC001138341234 1377705363 /nfs/dbraw/zinc/70/53/63/1377705363.db2.gz KKQQXMGODDDXSF-YOEHRIQHSA-N 1 0 330.472 3.090 20 10 EGCDRO Oc1c(C[NH+]2CCC3(CCCO3)CC2)cc2c3c1CCCN3CCC2 ZINC001138339047 1377705396 /nfs/dbraw/zinc/70/53/96/1377705396.db2.gz AELCOVBEJRPPIZ-UHFFFAOYSA-N 1 0 342.483 3.236 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138339772 1377705595 /nfs/dbraw/zinc/70/55/95/1377705595.db2.gz KGLPHFWPKDJSGF-GOSISDBHSA-N 1 0 334.410 3.322 20 10 EGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138340346 1377705670 /nfs/dbraw/zinc/70/56/70/1377705670.db2.gz UEXZLZBSMQJTQH-SFHVURJKSA-N 1 0 343.515 3.007 20 10 EGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138356697 1377708570 /nfs/dbraw/zinc/70/85/70/1377708570.db2.gz VMYHLJGSKOHPKO-GOSISDBHSA-N 1 0 330.472 3.234 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@@]1(O)C(F)(F)F ZINC001138354667 1377708640 /nfs/dbraw/zinc/70/86/40/1377708640.db2.gz PMQQVRRUOKTRTJ-DYVFJYSZSA-N 1 0 342.405 3.204 20 10 EGCDRO CCN(CC)c1ccc(CN2CCn3c(C)ncc3C2)c(OC)c1 ZINC001138385881 1377714081 /nfs/dbraw/zinc/71/40/81/1377714081.db2.gz BOGFXFLNEFWVEA-UHFFFAOYSA-N 1 0 328.460 3.062 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)CC2)c(OC)c1 ZINC001138391945 1377714628 /nfs/dbraw/zinc/71/46/28/1377714628.db2.gz KDUJHZBKWVLMAJ-INIZCTEOSA-N 1 0 348.487 3.317 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001138499822 1377733427 /nfs/dbraw/zinc/73/34/27/1377733427.db2.gz KJOVDBJZDYWEPC-UHFFFAOYSA-N 1 0 330.472 3.057 20 10 EGCDRO C[C@H]1C(=O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C12CCCC2 ZINC001138500574 1377733773 /nfs/dbraw/zinc/73/37/73/1377733773.db2.gz BNUBQNFWZRIFHC-KRWDZBQOSA-N 1 0 342.483 3.247 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)ccc1N(C)C ZINC001139672044 1377930904 /nfs/dbraw/zinc/93/09/04/1377930904.db2.gz RUAQJJKUXCCYMW-LJQANCHMSA-N 1 0 343.515 3.286 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3c(C)cc(O)cc3C)CC2)cc1 ZINC001139712985 1377939643 /nfs/dbraw/zinc/93/96/43/1377939643.db2.gz QHGYSAFXSFQJSK-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058748 1377998031 /nfs/dbraw/zinc/99/80/31/1377998031.db2.gz KQCNJHOBCDBLSW-WFASDCNBSA-N 1 0 338.423 3.266 20 10 EGCDRO CCCN(CCC[NH+](C)C)Cc1c(O)cccc1Br ZINC001140101917 1378007405 /nfs/dbraw/zinc/00/74/05/1378007405.db2.gz DJRJHSUYSNXJQJ-UHFFFAOYSA-N 1 0 329.282 3.318 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c1O ZINC001140178673 1378026173 /nfs/dbraw/zinc/02/61/73/1378026173.db2.gz UCCWXBGJIHAREI-UKRRQHHQSA-N 1 0 335.341 3.236 20 10 EGCDRO Cc1ccc(C)c(C[N@H+]2CCCN(c3ncccc3C)CC2)c1O ZINC001140179107 1378026354 /nfs/dbraw/zinc/02/63/54/1378026354.db2.gz GZTRJNYXIYVAPY-UHFFFAOYSA-N 1 0 325.456 3.425 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001140179357 1378026722 /nfs/dbraw/zinc/02/67/22/1378026722.db2.gz JCCVSHUQBWIQAI-FXAWDEMLSA-N 1 0 331.456 3.169 20 10 EGCDRO Cc1cccc(N2CCC[N@H+](Cc3c(C)ccc(C)c3O)CC2)n1 ZINC001140184514 1378028372 /nfs/dbraw/zinc/02/83/72/1378028372.db2.gz XTEGPBDNSQQITN-UHFFFAOYSA-N 1 0 325.456 3.425 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CCC4(CCCOC4)CC3)cc2)CC1 ZINC001140287050 1378041243 /nfs/dbraw/zinc/04/12/43/1378041243.db2.gz GIYNNFPUOZWCBL-UHFFFAOYSA-N 1 0 344.499 3.040 20 10 EGCDRO Cc1ccnc(OC2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC001140342326 1378049984 /nfs/dbraw/zinc/04/99/84/1378049984.db2.gz DFPJXDLKXJNXAX-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO Cc1cccc(N2CCC[N@H+](Cc3c(O)cccc3Cl)CC2)n1 ZINC001140342104 1378050345 /nfs/dbraw/zinc/05/03/45/1378050345.db2.gz VEVYSRNUBXYWGL-UHFFFAOYSA-N 1 0 331.847 3.461 20 10 EGCDRO COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001140464229 1378067125 /nfs/dbraw/zinc/06/71/25/1378067125.db2.gz HPZDRDIZJJZLQX-AWEZNQCLSA-N 1 0 334.803 3.103 20 10 EGCDRO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140464929 1378068466 /nfs/dbraw/zinc/06/84/66/1378068466.db2.gz FDTQXTWATFSUDJ-SFHVURJKSA-N 1 0 336.863 3.269 20 10 EGCDRO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc(Cl)cc4O)C[C@H]3O2)n1 ZINC001140466821 1378069143 /nfs/dbraw/zinc/06/91/43/1378069143.db2.gz ISHGRZYBNUVLFG-IUIKQTSFSA-N 1 0 349.818 3.089 20 10 EGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C[C@H]1C ZINC001140585627 1378090582 /nfs/dbraw/zinc/09/05/82/1378090582.db2.gz PZELMJCAEDIAEZ-VXGBXAGGSA-N 1 0 327.371 3.082 20 10 EGCDRO O=C(NC1CCCC1)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273285091 1378094563 /nfs/dbraw/zinc/09/45/63/1378094563.db2.gz NNELEKUQOIVGII-KRWDZBQOSA-N 1 0 346.446 3.192 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001140619504 1378098319 /nfs/dbraw/zinc/09/83/19/1378098319.db2.gz FVMCYZQDIGGKII-UHFFFAOYSA-N 1 0 332.444 3.143 20 10 EGCDRO Cc1ccc(O)c(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001140623648 1378100488 /nfs/dbraw/zinc/10/04/88/1378100488.db2.gz NRSGBWJQROWALU-UHFFFAOYSA-N 1 0 332.444 3.284 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCC1(F)F ZINC001140660452 1378108253 /nfs/dbraw/zinc/10/82/53/1378108253.db2.gz SAIMWYUGSHRWOR-CYBMUJFWSA-N 1 0 328.378 3.139 20 10 EGCDRO C[N@H+](CCc1cccs1)Cc1ccc(N2CCOCC2)cc1F ZINC001140661645 1378108594 /nfs/dbraw/zinc/10/85/94/1378108594.db2.gz MWKBJIFWRQGYMN-UHFFFAOYSA-N 1 0 334.460 3.398 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1O ZINC001140741816 1378127782 /nfs/dbraw/zinc/12/77/82/1378127782.db2.gz CTCRGHSWXPRINV-UHFFFAOYSA-N 1 0 332.831 3.382 20 10 EGCDRO Cc1cccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c1C ZINC001140749030 1378129181 /nfs/dbraw/zinc/12/91/81/1378129181.db2.gz PGAOEXHRUBQCJV-UHFFFAOYSA-N 1 0 326.440 3.345 20 10 EGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2O)[C@@H]1C ZINC001140855673 1378158471 /nfs/dbraw/zinc/15/84/71/1378158471.db2.gz IBEZPNPMUDUCDB-QAPCUYQASA-N 1 0 348.487 3.402 20 10 EGCDRO CCN(CC)c1ccc(CN2CCC([N@H+](C)C3CC3)CC2)c(O)c1 ZINC001140856677 1378159285 /nfs/dbraw/zinc/15/92/85/1378159285.db2.gz GKWSDSRUZAXGET-UHFFFAOYSA-N 1 0 331.504 3.297 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CC(=O)OC)C2CCCC2)c(O)c1 ZINC001140855884 1378159477 /nfs/dbraw/zinc/15/94/77/1378159477.db2.gz MZMJRCYULPNJIS-UHFFFAOYSA-N 1 0 334.460 3.156 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c(Cl)c1 ZINC001140927313 1378183057 /nfs/dbraw/zinc/18/30/57/1378183057.db2.gz MUZYCOXWQOYAOV-ZWKOTPCHSA-N 1 0 339.886 3.414 20 10 EGCDRO CCC(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925919 1378183543 /nfs/dbraw/zinc/18/35/43/1378183543.db2.gz HNRSYTDZUKQHMZ-UHFFFAOYSA-N 1 0 337.895 3.239 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140948101 1378188190 /nfs/dbraw/zinc/18/81/90/1378188190.db2.gz SUWTYSWRPTXGQH-HZPDHXFCSA-N 1 0 332.444 3.142 20 10 EGCDRO Cc1ccc(CN2CCc3ncc(Br)cc3C2)c(O)c1 ZINC001140951065 1378189647 /nfs/dbraw/zinc/18/96/47/1378189647.db2.gz WYNSIJCYESJRGD-UHFFFAOYSA-N 1 0 333.229 3.416 20 10 EGCDRO Cc1ccc(C[N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC001140958217 1378193473 /nfs/dbraw/zinc/19/34/73/1378193473.db2.gz URJIFHUDYYYPTP-FQEVSTJZSA-N 1 0 340.467 3.033 20 10 EGCDRO CC(C)(C)[NH+]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141075982 1378232317 /nfs/dbraw/zinc/23/23/17/1378232317.db2.gz IPNSPTPRUBLJLV-UHFFFAOYSA-N 1 0 327.516 3.302 20 10 EGCDRO CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]2C1 ZINC001141078300 1378234114 /nfs/dbraw/zinc/23/41/14/1378234114.db2.gz QRVOICBTRNPQEZ-OYRHEFFESA-N 1 0 339.527 3.159 20 10 EGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078837 1378234159 /nfs/dbraw/zinc/23/41/59/1378234159.db2.gz LBPYUMGVWGPPFG-KRWDZBQOSA-N 1 0 342.483 3.161 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cc(O)ccc2O)C1 ZINC001141156596 1378253093 /nfs/dbraw/zinc/25/30/93/1378253093.db2.gz OFJJCODYHJCLIF-LJQANCHMSA-N 1 0 348.443 3.073 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCC(N3CCCC3=O)CC2)c1O ZINC001143111815 1378541863 /nfs/dbraw/zinc/54/18/63/1378541863.db2.gz GGTGMQGJQUIKMZ-UHFFFAOYSA-N 1 0 330.472 3.277 20 10 EGCDRO Cc1cnc(O[C@@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)nc1 ZINC001143116491 1378543282 /nfs/dbraw/zinc/54/32/82/1378543282.db2.gz DXWLBSFEBUEVKW-MRXNPFEDSA-N 1 0 341.455 3.441 20 10 EGCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)CC[C@H]21 ZINC001143117123 1378543428 /nfs/dbraw/zinc/54/34/28/1378543428.db2.gz USKMSFKYFAHGAT-RHSMWYFYSA-N 1 0 330.472 3.132 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001143366818 1378587512 /nfs/dbraw/zinc/58/75/12/1378587512.db2.gz MKSGMANYYATANO-HXUWFJFHSA-N 1 0 344.499 3.481 20 10 EGCDRO Cc1ccc(O[C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)cc1 ZINC001144508986 1378738683 /nfs/dbraw/zinc/73/86/83/1378738683.db2.gz GLZWSIHBJORKLB-INIZCTEOSA-N 1 0 329.396 3.155 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(OCc3ccccc3F)CC2)c(O)c1 ZINC001144509357 1378740040 /nfs/dbraw/zinc/74/00/40/1378740040.db2.gz UPNCEDNCVXLEEO-UHFFFAOYSA-N 1 0 347.386 3.124 20 10 EGCDRO CC[C@@H](CC(F)(F)F)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001148067403 1379112857 /nfs/dbraw/zinc/11/28/57/1379112857.db2.gz XXDHICLBGDNYGQ-AWEZNQCLSA-N 1 0 346.393 3.188 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc3ccccc3o2)cc1C ZINC001149968207 1379475759 /nfs/dbraw/zinc/47/57/59/1379475759.db2.gz NKXPZZRKLFFAOU-UHFFFAOYSA-N 1 0 338.407 3.269 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C2CCC(C)(C)CC2)cc1C ZINC001152842797 1379986292 /nfs/dbraw/zinc/98/62/92/1379986292.db2.gz DENIPPXMGNATCA-UHFFFAOYSA-N 1 0 332.488 3.426 20 10 EGCDRO Cc1cnc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(N)c1 ZINC001155641352 1380477703 /nfs/dbraw/zinc/47/77/03/1380477703.db2.gz ZXLKKODVQCVDJL-ONCXSQPRSA-N 1 0 338.499 3.372 20 10 EGCDRO COc1cc(Cl)cnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156656479 1380605455 /nfs/dbraw/zinc/60/54/55/1380605455.db2.gz VZBFAEXZZWBASZ-UHFFFAOYSA-N 1 0 346.862 3.108 20 10 EGCDRO CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157210147 1380811203 /nfs/dbraw/zinc/81/12/03/1380811203.db2.gz XJXRPRQYKVZHFY-UONOGXRCSA-N 1 0 347.463 3.335 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001328687709 1388808724 /nfs/dbraw/zinc/80/87/24/1388808724.db2.gz BPKHINHBNADGDC-IRXDYDNUSA-N 1 0 347.503 3.258 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC2(C)C)cc1C ZINC001164170019 1383162465 /nfs/dbraw/zinc/16/24/65/1383162465.db2.gz CJMBROMDSWXTJT-QGZVFWFLSA-N 1 0 332.488 3.426 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC001328773404 1388854992 /nfs/dbraw/zinc/85/49/92/1388854992.db2.gz ZUJUAPTUNRUGRC-CYBMUJFWSA-N 1 0 339.277 3.261 20 10 EGCDRO CC(=O)N1CCC[C@@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)C1 ZINC001169598504 1384163805 /nfs/dbraw/zinc/16/38/05/1384163805.db2.gz WPNFWTWADPLTBG-BEFAXECRSA-N 1 0 330.472 3.233 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)c2cc[nH]c2)cc1C ZINC001170944423 1384415637 /nfs/dbraw/zinc/41/56/37/1384415637.db2.gz KRFFPACNQFXLIA-INIZCTEOSA-N 1 0 343.471 3.410 20 10 EGCDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)CC2 ZINC001171297376 1384488035 /nfs/dbraw/zinc/48/80/35/1384488035.db2.gz FZNOWKPJBOUHPB-LBPRGKRZSA-N 1 0 333.815 3.407 20 10 EGCDRO Oc1ccc(CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)cc1O ZINC001171506133 1384545085 /nfs/dbraw/zinc/54/50/85/1384545085.db2.gz RUYLFZIMDJIPLI-LBPRGKRZSA-N 1 0 337.341 3.205 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172166069 1384740529 /nfs/dbraw/zinc/74/05/29/1384740529.db2.gz MJWDCRVWTACOEP-SIFCLUCFSA-N 1 0 342.483 3.375 20 10 EGCDRO c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CS2 ZINC001172186720 1384742953 /nfs/dbraw/zinc/74/29/53/1384742953.db2.gz BQGYMXWUUXBRAO-SFHVURJKSA-N 1 0 340.492 3.330 20 10 EGCDRO COc1ccc(N2CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2)c(C)c1 ZINC001172763190 1384846456 /nfs/dbraw/zinc/84/64/56/1384846456.db2.gz VUNCGBFBFQGQLT-KRWDZBQOSA-N 1 0 348.487 3.246 20 10 EGCDRO CCCOC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001173086842 1384910652 /nfs/dbraw/zinc/91/06/52/1384910652.db2.gz GVTBGTCQEHIUOR-UHFFFAOYSA-N 1 0 332.488 3.351 20 10 EGCDRO CC[C@H]1CC[C@@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173265204 1384946901 /nfs/dbraw/zinc/94/69/01/1384946901.db2.gz QRQRVZQGYSWFAD-RBUKOAKNSA-N 1 0 345.531 3.376 20 10 EGCDRO COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001173727872 1385011137 /nfs/dbraw/zinc/01/11/37/1385011137.db2.gz HFOOMMLXBCNMIV-CQSZACIVSA-N 1 0 325.408 3.168 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCc2cccs2)cc1C ZINC001175718718 1385383769 /nfs/dbraw/zinc/38/37/69/1385383769.db2.gz QTLMUOHDVLUGQW-UHFFFAOYSA-N 1 0 346.496 3.294 20 10 EGCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2C[C@H]2C)cc1C ZINC001177820090 1386056227 /nfs/dbraw/zinc/05/62/27/1386056227.db2.gz SSZUCMNWFFJSQJ-QAPCUYQASA-N 1 0 332.488 3.426 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CCC2CCOCC2)c1O ZINC001319835640 1386326303 /nfs/dbraw/zinc/32/63/03/1386326303.db2.gz DHPMAZBQGWANKM-UHFFFAOYSA-N 1 0 344.249 3.070 20 10 EGCDRO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001319951102 1386412972 /nfs/dbraw/zinc/41/29/72/1386412972.db2.gz YFXKOISZZQTFEM-HOTGVXAUSA-N 1 0 328.378 3.174 20 10 EGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1O ZINC001320070429 1386489940 /nfs/dbraw/zinc/48/99/40/1386489940.db2.gz JHUBPEHXRPUPQI-JTQLQIEISA-N 1 0 344.249 3.365 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC001321022820 1386786573 /nfs/dbraw/zinc/78/65/73/1386786573.db2.gz JXQAIXHGBIHQJU-LSDHHAIUSA-N 1 0 340.471 3.399 20 10 EGCDRO CN1CCN(c2ccc(C[N@H+](CC3CC3)C3CCC3)cc2F)CC1 ZINC001321047382 1386793347 /nfs/dbraw/zinc/79/33/47/1386793347.db2.gz SIGJFKWPHHTLSZ-UHFFFAOYSA-N 1 0 331.479 3.342 20 10 EGCDRO C[N@H+](CC(=O)NCc1cc(Cl)c2cccnc2c1O)C1CCCC1 ZINC001180630563 1386853471 /nfs/dbraw/zinc/85/34/71/1386853471.db2.gz UIHHPJDCSICJGT-UHFFFAOYSA-N 1 0 347.846 3.084 20 10 EGCDRO C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1O ZINC001331451584 1389753366 /nfs/dbraw/zinc/75/33/66/1389753366.db2.gz WEJUEBZCVZFORW-LBPRGKRZSA-N 1 0 346.814 3.122 20 10 EGCDRO O=C(C[NH2+]Cc1ccc(N2CCCC2)cc1)Nc1ccc(F)c(F)c1 ZINC001333669580 1390370347 /nfs/dbraw/zinc/37/03/47/1390370347.db2.gz YPKOQNNDPMLPBR-UHFFFAOYSA-N 1 0 345.393 3.293 20 10 EGCDRO C[NH2+][C@H](C)CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001345141776 1390840915 /nfs/dbraw/zinc/84/09/15/1390840915.db2.gz MZZZGEJAMGERTP-OAHLLOKOSA-N 1 0 333.476 3.235 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC001346200404 1390914741 /nfs/dbraw/zinc/91/47/41/1390914741.db2.gz NLRXLJNEEZEVHZ-LBPRGKRZSA-N 1 0 333.863 3.427 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001348112893 1391174844 /nfs/dbraw/zinc/17/48/44/1391174844.db2.gz AFDWXZDXHAMHMQ-CGTJXYLNSA-N 1 0 330.472 3.251 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccn3C3CC3)cc2)CC1 ZINC001349761497 1391363392 /nfs/dbraw/zinc/36/33/92/1391363392.db2.gz HZDNYUMLRUUOFM-UHFFFAOYSA-N 1 0 325.456 3.074 20 10 EGCDRO CCc1[nH]ccc1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753473123 1440414543 /nfs/dbraw/zinc/41/45/43/1440414543.db2.gz QINZAKHBSAMFST-MRXNPFEDSA-N 1 0 343.471 3.192 20 10 EGCDRO CCC[NH+]1CCC(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001753599758 1440446037 /nfs/dbraw/zinc/44/60/37/1440446037.db2.gz LPZYUMSCAZCHBM-UHFFFAOYSA-N 1 0 345.447 3.091 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cccs2)cc1C ZINC001753615319 1440449636 /nfs/dbraw/zinc/44/96/36/1440449636.db2.gz RKQJPGKRUFVDJW-ZDUSSCGKSA-N 1 0 332.469 3.221 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2CC3(CC3)C2)cc1C ZINC001753631739 1440452375 /nfs/dbraw/zinc/45/23/75/1440452375.db2.gz YZRTWGFUCICIMF-CQSZACIVSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)c2c[nH]cc2C)C(C)C)cc1C ZINC001753844451 1440503932 /nfs/dbraw/zinc/50/39/32/1440503932.db2.gz ZWSDVJLYQFXMOJ-SFHVURJKSA-N 1 0 343.471 3.184 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2CC=CC2)cc1C ZINC001755492094 1440861576 /nfs/dbraw/zinc/86/15/76/1440861576.db2.gz XXHYFYYCAADRGH-MRXNPFEDSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2csnc2C)cc1C ZINC001755581049 1440879303 /nfs/dbraw/zinc/87/93/03/1440879303.db2.gz FLVZORZDYNEGHU-CYBMUJFWSA-N 1 0 347.484 3.019 20 10 EGCDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000865716173 1126115456 /nfs/dbraw/zinc/11/54/56/1126115456.db2.gz NGPSHNOBHDHNHC-HXUWFJFHSA-N 1 0 329.440 3.101 20 10 EGCDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000054517773 214242875 /nfs/dbraw/zinc/24/28/75/214242875.db2.gz IJDHIDVJTOPENY-OAHLLOKOSA-N 1 0 328.412 3.256 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000186866510 455845089 /nfs/dbraw/zinc/84/50/89/455845089.db2.gz LKXUHFRBYUUUCJ-OAHLLOKOSA-N 1 0 326.506 3.008 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1O ZINC000183429320 455291239 /nfs/dbraw/zinc/29/12/39/455291239.db2.gz BGZOAQBSESEBEK-MRXNPFEDSA-N 1 0 326.440 3.075 20 10 EGCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000013068512 453443187 /nfs/dbraw/zinc/44/31/87/453443187.db2.gz LRCZTZOZFUCTRD-LJQANCHMSA-N 1 0 325.456 3.308 20 10 EGCDRO CCOC(=O)C1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000014016117 453497771 /nfs/dbraw/zinc/49/77/71/453497771.db2.gz XXWKYARIBPEWDF-UHFFFAOYSA-N 1 0 335.444 3.170 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000066701239 453864082 /nfs/dbraw/zinc/86/40/82/453864082.db2.gz MWOGCNJFIQEBOR-INIZCTEOSA-N 1 0 333.476 3.046 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)CCOc2ccc(F)cc2)cc1OC ZINC000159547679 455384427 /nfs/dbraw/zinc/38/44/27/455384427.db2.gz PHCYDDYCILQAJJ-UHFFFAOYSA-N 1 0 335.375 3.059 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000266156597 455424284 /nfs/dbraw/zinc/42/42/84/455424284.db2.gz MAKSETDHZSWINS-KRWDZBQOSA-N 1 0 335.787 3.252 20 10 EGCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(OC)ccc1O)CCO2 ZINC000089726513 454184170 /nfs/dbraw/zinc/18/41/70/454184170.db2.gz UOPQFRFRVNOZGI-QGZVFWFLSA-N 1 0 329.396 3.413 20 10 EGCDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976217 454190621 /nfs/dbraw/zinc/19/06/21/454190621.db2.gz CCMNPSLCSOKHSI-QGZVFWFLSA-N 1 0 342.395 3.482 20 10 EGCDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000090885632 454348920 /nfs/dbraw/zinc/34/89/20/454348920.db2.gz GDQVXLCXGAXUKN-OXQOHEQNSA-N 1 0 342.487 3.185 20 10 EGCDRO COc1cccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000093889630 454744152 /nfs/dbraw/zinc/74/41/52/454744152.db2.gz VHDACGZBHQZVCV-NPMABZOXSA-N 1 0 333.453 3.331 20 10 EGCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)o1 ZINC000137068267 454768364 /nfs/dbraw/zinc/76/83/64/454768364.db2.gz YCQVVWOJVGFBAS-CQSZACIVSA-N 1 0 331.368 3.197 20 10 EGCDRO CCOc1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2O)cc1 ZINC000137278025 454774800 /nfs/dbraw/zinc/77/48/00/454774800.db2.gz SDXYNFPOQPMZNI-UHFFFAOYSA-N 1 0 328.412 3.252 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N2CCOCC2)c(F)c1 ZINC000125080929 454795798 /nfs/dbraw/zinc/79/57/98/454795798.db2.gz JRINUTZWQQUSCK-QSFMABPGSA-N 1 0 348.462 3.271 20 10 EGCDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1ccc(N)cc1 ZINC000163801362 454865638 /nfs/dbraw/zinc/86/56/38/454865638.db2.gz IEPUZGMVCSZLGZ-UHFFFAOYSA-N 1 0 345.512 3.243 20 10 EGCDRO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154312590 454883715 /nfs/dbraw/zinc/88/37/15/454883715.db2.gz FZRXXSJYEQXREF-ZDUSSCGKSA-N 1 0 326.481 3.455 20 10 EGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C(C)(C)O1 ZINC000165195135 454896048 /nfs/dbraw/zinc/89/60/48/454896048.db2.gz XAELNYDTJLVDMG-QGZVFWFLSA-N 1 0 336.451 3.098 20 10 EGCDRO C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]([NH3+])c1ccccc1 ZINC000166475239 454912511 /nfs/dbraw/zinc/91/25/11/454912511.db2.gz JZSURTAPMDFROE-QRWLVFNGSA-N 1 0 337.467 3.021 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000177875272 454915651 /nfs/dbraw/zinc/91/56/51/454915651.db2.gz KAFNXQGTSJGUDV-LPHOPBHVSA-N 1 0 329.488 3.386 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(N(C)C)cc1 ZINC000168144266 454924668 /nfs/dbraw/zinc/92/46/68/454924668.db2.gz CGHNRUAYTAIPBX-HOCLYGCPSA-N 1 0 328.435 3.216 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000167907120 454924933 /nfs/dbraw/zinc/92/49/33/454924933.db2.gz NHZWVUCVLSZFOC-HUUCEWRRSA-N 1 0 326.893 3.105 20 10 EGCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000178961383 454993433 /nfs/dbraw/zinc/99/34/33/454993433.db2.gz LJVGHHJPOYXECQ-OAHLLOKOSA-N 1 0 345.874 3.429 20 10 EGCDRO COCc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000179188569 455017408 /nfs/dbraw/zinc/01/74/08/455017408.db2.gz KUDGCBYCDQCXQD-UHFFFAOYSA-N 1 0 340.467 3.302 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccccc1O ZINC000155595057 455020703 /nfs/dbraw/zinc/02/07/03/455020703.db2.gz ROHKWWIXGRJBJJ-SUMWQHHRSA-N 1 0 348.468 3.102 20 10 EGCDRO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(C)c1O ZINC000179564198 455058439 /nfs/dbraw/zinc/05/84/39/455058439.db2.gz HRDHYUWGBSYAST-UHFFFAOYSA-N 1 0 328.412 3.170 20 10 EGCDRO COc1ccc(O)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000179694662 455067827 /nfs/dbraw/zinc/06/78/27/455067827.db2.gz VIEMSCAOOBJJMB-UHFFFAOYSA-N 1 0 328.368 3.474 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3c(C)noc3C)CC2)cc1 ZINC000152126925 455076284 /nfs/dbraw/zinc/07/62/84/455076284.db2.gz NESYYJWZGLWRHK-AWEZNQCLSA-N 1 0 343.471 3.490 20 10 EGCDRO O=C(NC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1)C1CC1 ZINC000179910429 455097728 /nfs/dbraw/zinc/09/77/28/455097728.db2.gz JOOKQGHOTWKMOM-UHFFFAOYSA-N 1 0 341.499 3.168 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@]3(C)CCCC[C@H]3O)CC2)cc1 ZINC000159199247 455360311 /nfs/dbraw/zinc/36/03/11/455360311.db2.gz XMNAIUHDZUGRNG-UXHICEINSA-N 1 0 332.488 3.195 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000174640179 455408781 /nfs/dbraw/zinc/40/87/81/455408781.db2.gz QASSOTKHRPDCFY-JKSUJKDBSA-N 1 0 343.496 3.464 20 10 EGCDRO C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000185191585 455518414 /nfs/dbraw/zinc/51/84/14/455518414.db2.gz VRUYETQTXKBDAW-KSSFIOAISA-N 1 0 338.467 3.110 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccccc1O ZINC000185208666 455521750 /nfs/dbraw/zinc/52/17/50/455521750.db2.gz LCRMRRKCRYZHDM-QAPCUYQASA-N 1 0 341.455 3.253 20 10 EGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185276585 455532522 /nfs/dbraw/zinc/53/25/22/455532522.db2.gz AZACPSOQKTZXPZ-VIFPVBQESA-N 1 0 338.249 3.356 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161132265 455538482 /nfs/dbraw/zinc/53/84/82/455538482.db2.gz XRIMZLNVHBJKIZ-SZMVWBNQSA-N 1 0 349.494 3.186 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000185323206 455540184 /nfs/dbraw/zinc/54/01/84/455540184.db2.gz LOEKVLBMEWINJC-CYBMUJFWSA-N 1 0 329.396 3.413 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000185342125 455543146 /nfs/dbraw/zinc/54/31/46/455543146.db2.gz HKYKEKQYEWOSMG-ZDUSSCGKSA-N 1 0 338.448 3.308 20 10 EGCDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185377312 455550480 /nfs/dbraw/zinc/55/04/80/455550480.db2.gz CDEYZMRZBCILHZ-CQSZACIVSA-N 1 0 330.472 3.180 20 10 EGCDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185377293 455550532 /nfs/dbraw/zinc/55/05/32/455550532.db2.gz CDEYZMRZBCILHZ-AWEZNQCLSA-N 1 0 330.472 3.180 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000192520116 455635049 /nfs/dbraw/zinc/63/50/49/455635049.db2.gz NVTBJLGXKSJAIF-FQEVSTJZSA-N 1 0 325.456 3.023 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cn[nH]c1 ZINC000284295367 455664012 /nfs/dbraw/zinc/66/40/12/455664012.db2.gz YGEPEEDFEMTCCD-MJBXVCDLSA-N 1 0 332.423 3.013 20 10 EGCDRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc2ccccc2c1O ZINC000186027885 455678834 /nfs/dbraw/zinc/67/88/34/455678834.db2.gz BISFYULSJCSZAD-CYBMUJFWSA-N 1 0 335.469 3.409 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc2ccccc2c1O ZINC000192910372 455715921 /nfs/dbraw/zinc/71/59/21/455715921.db2.gz PIOYSTOTTNMYME-HNNXBMFYSA-N 1 0 328.456 3.307 20 10 EGCDRO Cc1ccc(O)c(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000292879140 455764737 /nfs/dbraw/zinc/76/47/37/455764737.db2.gz XLSUFYFIALLKCJ-UHFFFAOYSA-N 1 0 328.387 3.103 20 10 EGCDRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccccc2O)C1=O ZINC000292969365 455768970 /nfs/dbraw/zinc/76/89/70/455768970.db2.gz KEXCFAIKXVDILE-KDOFPFPSSA-N 1 0 342.414 3.373 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000293629592 455793832 /nfs/dbraw/zinc/79/38/32/455793832.db2.gz LJFPGJPYEIRYNS-HXUWFJFHSA-N 1 0 346.515 3.190 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293980026 455801744 /nfs/dbraw/zinc/80/17/44/455801744.db2.gz KUYNUQCMROYQSF-GOSISDBHSA-N 1 0 327.424 3.318 20 10 EGCDRO Nc1ccc(CC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000269236577 455818238 /nfs/dbraw/zinc/81/82/38/455818238.db2.gz GWYIVBXAXXRWTF-UHFFFAOYSA-N 1 0 337.467 3.478 20 10 EGCDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000294896089 455830743 /nfs/dbraw/zinc/83/07/43/455830743.db2.gz GRQADZASHLIJEH-FQEVSTJZSA-N 1 0 345.531 3.218 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673740 455851124 /nfs/dbraw/zinc/85/11/24/455851124.db2.gz VUVWVDFXTDTGNQ-GOSISDBHSA-N 1 0 330.384 3.246 20 10 EGCDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295583048 455853698 /nfs/dbraw/zinc/85/36/98/455853698.db2.gz SFBZFZXNQVCKIQ-WMZOPIPTSA-N 1 0 332.488 3.301 20 10 EGCDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278929772 455854150 /nfs/dbraw/zinc/85/41/50/455854150.db2.gz VYWJXCHYPJHJDD-UHFFFAOYSA-N 1 0 346.383 3.343 20 10 EGCDRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295787575 455859728 /nfs/dbraw/zinc/85/97/28/455859728.db2.gz ACCRWQBJMFBFHI-HKUYNNGSSA-N 1 0 327.424 3.490 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@H]2CCc3cccc(O)c32)N(C)C)c1 ZINC000295901206 455862381 /nfs/dbraw/zinc/86/23/81/455862381.db2.gz IQNNFBDXYKGCDC-ROUUACIJSA-N 1 0 326.440 3.281 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)CC2 ZINC000295957485 455864075 /nfs/dbraw/zinc/86/40/75/455864075.db2.gz LXLLFOUXHVRPDQ-HZPDHXFCSA-N 1 0 344.480 3.104 20 10 EGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC2(CCOCC2)O1 ZINC000279769304 455872702 /nfs/dbraw/zinc/87/27/02/455872702.db2.gz NACHOGXJWHAKKC-HNNXBMFYSA-N 1 0 327.424 3.315 20 10 EGCDRO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000279826406 455874956 /nfs/dbraw/zinc/87/49/56/455874956.db2.gz DMUBZQHJHPMMCH-UHFFFAOYSA-N 1 0 344.434 3.275 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C)c(O)c3)c2)CC1 ZINC000187406003 455906269 /nfs/dbraw/zinc/90/62/69/455906269.db2.gz XJDNNYWYITZEMF-UHFFFAOYSA-N 1 0 339.439 3.095 20 10 EGCDRO COCCCOc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000285755254 455910401 /nfs/dbraw/zinc/91/04/01/455910401.db2.gz ZATZMAOFFRUGSO-UHFFFAOYSA-N 1 0 328.456 3.458 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000272328291 455915439 /nfs/dbraw/zinc/91/54/39/455915439.db2.gz VONLOZAXGOFUSP-WFASDCNBSA-N 1 0 338.423 3.266 20 10 EGCDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272672313 456034714 /nfs/dbraw/zinc/03/47/14/456034714.db2.gz UBMBDSKOSLKTES-RDJZCZTQSA-N 1 0 347.503 3.488 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc(Br)ccc1O ZINC000287292217 456065502 /nfs/dbraw/zinc/06/55/02/456065502.db2.gz DGAGPKBICWCJSJ-SRVKXCTJSA-N 1 0 328.250 3.478 20 10 EGCDRO CN(C)c1ncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000271031921 456105178 /nfs/dbraw/zinc/10/51/78/456105178.db2.gz YWYLQNAEMUONRC-HNNXBMFYSA-N 1 0 347.484 3.096 20 10 EGCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000226036663 456106806 /nfs/dbraw/zinc/10/68/06/456106806.db2.gz MDQPFXXGWYLZMG-ZDUSSCGKSA-N 1 0 336.233 3.055 20 10 EGCDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271055351 456114240 /nfs/dbraw/zinc/11/42/40/456114240.db2.gz ACJURLBSIAYDKW-ZMYBRWDISA-N 1 0 349.471 3.435 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCOC1 ZINC000281096632 456132896 /nfs/dbraw/zinc/13/28/96/456132896.db2.gz ADGRZWRAVNDILI-MAUKXSAKSA-N 1 0 327.424 3.486 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1O ZINC000271174161 456155508 /nfs/dbraw/zinc/15/55/08/456155508.db2.gz WCJMSKRMTBQKRJ-UHFFFAOYSA-N 1 0 335.444 3.345 20 10 EGCDRO NC(=O)CCC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271181688 456159531 /nfs/dbraw/zinc/15/95/31/456159531.db2.gz HTYDSLXSAQFVHT-UHFFFAOYSA-N 1 0 329.488 3.154 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2ccc(C[NH3+])cc2)cc1F ZINC000236913654 456201423 /nfs/dbraw/zinc/20/14/23/456201423.db2.gz DXEXTHFUVFFVIR-UHFFFAOYSA-N 1 0 329.419 3.061 20 10 EGCDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000290070183 456231787 /nfs/dbraw/zinc/23/17/87/456231787.db2.gz FTCHIVJKEQLYSP-HNNXBMFYSA-N 1 0 328.250 3.139 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1cc(F)ccc1O ZINC000273465992 456233009 /nfs/dbraw/zinc/23/30/09/456233009.db2.gz DRHRHGPUKRSPTC-CYBMUJFWSA-N 1 0 348.393 3.358 20 10 EGCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC1(O)CCOCC1 ZINC000276064820 456381152 /nfs/dbraw/zinc/38/11/52/456381152.db2.gz VQFLKILWEBBTKV-UHFFFAOYSA-N 1 0 327.424 3.033 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNc3ncc(C)s3)cc2F)CC1 ZINC000302877309 456424221 /nfs/dbraw/zinc/42/42/21/456424221.db2.gz GLDHCMKUMGIDAB-UHFFFAOYSA-N 1 0 334.464 3.345 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000282350953 456485848 /nfs/dbraw/zinc/48/58/48/456485848.db2.gz VPOWIDPGTBFAIL-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1O ZINC000291016837 456498490 /nfs/dbraw/zinc/49/84/90/456498490.db2.gz BXQPRSFFAKINSL-OAHLLOKOSA-N 1 0 339.439 3.471 20 10 EGCDRO COCCOCc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000291020884 456499791 /nfs/dbraw/zinc/49/97/91/456499791.db2.gz GWCMJYPSBLNJGG-UHFFFAOYSA-N 1 0 335.831 3.498 20 10 EGCDRO Cc1cc(NC(=O)CC[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298721322 456525885 /nfs/dbraw/zinc/52/58/85/456525885.db2.gz LIZIBPLPHXSKRW-UHFFFAOYSA-N 1 0 344.459 3.288 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291153030 456546728 /nfs/dbraw/zinc/54/67/28/456546728.db2.gz ZTESDKLZYXQAFI-CQSZACIVSA-N 1 0 325.412 3.163 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000349382834 456960145 /nfs/dbraw/zinc/96/01/45/456960145.db2.gz UMVUWXSOMSLBEK-OAHLLOKOSA-N 1 0 342.487 3.018 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O ZINC000359955437 457170657 /nfs/dbraw/zinc/17/06/57/457170657.db2.gz IHKIWBKWHGYSAM-DAXOMENPSA-N 1 0 325.836 3.347 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000378436700 457395305 /nfs/dbraw/zinc/39/53/05/457395305.db2.gz CWUWPDFZORJPJJ-QUCCMNQESA-N 1 0 327.424 3.489 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000352526001 457439798 /nfs/dbraw/zinc/43/97/98/457439798.db2.gz JBWAQXSWLJXMCI-UHFFFAOYSA-N 1 0 349.482 3.246 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367270601 457940176 /nfs/dbraw/zinc/94/01/76/457940176.db2.gz LRXUZDDTOYDKEH-QZTJIDSGSA-N 1 0 345.487 3.331 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@@H]2CCCO[C@H]21 ZINC000371799764 458079328 /nfs/dbraw/zinc/07/93/28/458079328.db2.gz TVEUOYJKQIPBNE-NWANDNLSSA-N 1 0 340.261 3.448 20 10 EGCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1O ZINC000362388941 458145928 /nfs/dbraw/zinc/14/59/28/458145928.db2.gz JMBKYZBMDYTTJI-IEBWSBKVSA-N 1 0 327.424 3.489 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC23CC(C2)CO3)c1O ZINC000527981148 459786956 /nfs/dbraw/zinc/78/69/56/459786956.db2.gz OTUMVMMNQJOIGH-NLTNOIMHSA-N 1 0 326.234 3.293 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1 ZINC000529668174 459833375 /nfs/dbraw/zinc/83/33/75/459833375.db2.gz DPNATVGLWLLSTG-UHFFFAOYSA-N 1 0 337.423 3.204 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(=O)NC)cc2)cc1 ZINC000030671586 520907570 /nfs/dbraw/zinc/90/75/70/520907570.db2.gz WHDJVPPGVHZKPG-UHFFFAOYSA-N 1 0 325.456 3.182 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1cc(Br)ccc1O ZINC000037155647 522936384 /nfs/dbraw/zinc/93/63/84/522936384.db2.gz ULNWIIZCYUAQFL-BXUZGUMPSA-N 1 0 338.249 3.481 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)cc1 ZINC000727644886 574680414 /nfs/dbraw/zinc/68/04/14/574680414.db2.gz XHOCWFMTNADYES-UHFFFAOYSA-N 1 0 347.466 3.411 20 10 EGCDRO CCOc1ccc(C[NH2+]CC(=O)Nc2cccc(CC)c2)c(O)c1 ZINC000732231284 575247389 /nfs/dbraw/zinc/24/73/89/575247389.db2.gz KHJMCUCFWBIZMB-UHFFFAOYSA-N 1 0 328.412 3.082 20 10 EGCDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(Br)cc1O ZINC000756630263 576160003 /nfs/dbraw/zinc/16/00/03/576160003.db2.gz SRSCIBXBWMWFGP-VXGBXAGGSA-N 1 0 327.266 3.147 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000742377279 576776317 /nfs/dbraw/zinc/77/63/17/576776317.db2.gz RCAYOEHEOAQSKX-ZBFHGGJFSA-N 1 0 333.432 3.100 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C3CCCC3)CC2)cc1 ZINC000744412007 576827580 /nfs/dbraw/zinc/82/75/80/576827580.db2.gz LLZMTZQOKVPQOB-UHFFFAOYSA-N 1 0 343.515 3.271 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821164991 606996768 /nfs/dbraw/zinc/99/67/68/606996768.db2.gz MQZQHRIZXMXRAO-CQSZACIVSA-N 1 0 336.443 3.174 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1C ZINC000873094533 1297271824 /nfs/dbraw/zinc/27/18/24/1297271824.db2.gz DQWLDCHKMATLDO-UXHICEINSA-N 1 0 343.467 3.358 20 10 EGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(Br)cc1O ZINC000691677314 1298135996 /nfs/dbraw/zinc/13/59/96/1298135996.db2.gz NASZYYPSMDRZJF-BOOVAVIHSA-N 1 0 338.245 3.010 20 10 EGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(Br)cc1O ZINC000691677325 1298136158 /nfs/dbraw/zinc/13/61/58/1298136158.db2.gz NASZYYPSMDRZJF-XNHOIOAFSA-N 1 0 338.245 3.010 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1F ZINC000793396373 1309363027 /nfs/dbraw/zinc/36/30/27/1309363027.db2.gz XNILCHBGXWNEQP-UHFFFAOYSA-N 1 0 335.467 3.163 20 10 EGCDRO CC(=O)N1CCC([NH2+]Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000017317037 1291181954 /nfs/dbraw/zinc/18/19/54/1291181954.db2.gz PQLMCOBNCNHMIP-UHFFFAOYSA-N 1 0 325.456 3.195 20 10 EGCDRO COc1ccccc1N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000028890744 1291317668 /nfs/dbraw/zinc/31/76/68/1291317668.db2.gz ZTWBOIULTNZRFM-UHFFFAOYSA-N 1 0 349.434 3.271 20 10 EGCDRO CC(C)[NH+](CCCNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000072517290 1292278702 /nfs/dbraw/zinc/27/87/02/1292278702.db2.gz FZWJSUORMSNHMW-UHFFFAOYSA-N 1 0 348.535 3.403 20 10 EGCDRO CN(c1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1)C1CCCCC1 ZINC000827821030 1292382321 /nfs/dbraw/zinc/38/23/21/1292382321.db2.gz MIDSZRCJKIXDES-IBGZPJMESA-N 1 0 329.488 3.199 20 10 EGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000827866510 1292389244 /nfs/dbraw/zinc/38/92/44/1292389244.db2.gz MIRAUALHRKTGOW-FQEVSTJZSA-N 1 0 332.488 3.303 20 10 EGCDRO COc1cc(N(C)C[C@@H]2CCCC[N@@H+]2C(C)C)cc(OC)c1OC ZINC000827883652 1292393362 /nfs/dbraw/zinc/39/33/62/1292393362.db2.gz LYTQJNUNKPQWOM-HNNXBMFYSA-N 1 0 336.476 3.412 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(C3CCCCC3)C(=O)O2)c1 ZINC000828155493 1292436974 /nfs/dbraw/zinc/43/69/74/1292436974.db2.gz OCPZRIPLURSDFH-CZUORRHYSA-N 1 0 348.443 3.205 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000828666192 1292489196 /nfs/dbraw/zinc/48/91/96/1292489196.db2.gz BOPZDEJTQPLOJS-SUMWQHHRSA-N 1 0 328.412 3.058 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000828666191 1292489217 /nfs/dbraw/zinc/48/92/17/1292489217.db2.gz BOPZDEJTQPLOJS-GUYCJALGSA-N 1 0 328.412 3.058 20 10 EGCDRO CC(C)[C@H](CNC(=O)N(C)Cc1ccccc1O)[NH+]1CCC(C)CC1 ZINC000079251331 1292551875 /nfs/dbraw/zinc/55/18/75/1292551875.db2.gz BRMSMPHBCQSPEV-SFHVURJKSA-N 1 0 347.503 3.290 20 10 EGCDRO COc1cc(OC)cc(OCCC[NH2+]Cc2cc(C)ccc2O)c1 ZINC000084959688 1292717277 /nfs/dbraw/zinc/71/72/77/1292717277.db2.gz ARNYJEKAAKVUJE-UHFFFAOYSA-N 1 0 331.412 3.277 20 10 EGCDRO C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[C@H]([NH3+])c1ccccc1 ZINC000830597432 1292739322 /nfs/dbraw/zinc/73/93/22/1292739322.db2.gz IIJVZPUOPYUVIY-VLIAUNLRSA-N 1 0 338.451 3.223 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000090182264 1292789719 /nfs/dbraw/zinc/78/97/19/1292789719.db2.gz BLFZLMKZHKEDSC-SJLPKXTDSA-N 1 0 341.499 3.481 20 10 EGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000090404323 1292792684 /nfs/dbraw/zinc/79/26/84/1292792684.db2.gz PUFGRYSPKAJQFA-GFCCVEGCSA-N 1 0 349.475 3.403 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1O ZINC000093338296 1292915047 /nfs/dbraw/zinc/91/50/47/1292915047.db2.gz MKQNNPFEUFQJLA-UHFFFAOYSA-N 1 0 328.368 3.257 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2CSC)c1O ZINC000093760758 1292931446 /nfs/dbraw/zinc/93/14/46/1292931446.db2.gz ROASZIZWUCFPKW-GFCCVEGCSA-N 1 0 346.290 3.491 20 10 EGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1 ZINC000102653004 1292979786 /nfs/dbraw/zinc/97/97/86/1292979786.db2.gz WZMZTJFOJGALQJ-LBPRGKRZSA-N 1 0 335.444 3.169 20 10 EGCDRO Cc1c2ccccc2oc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283765 1292981933 /nfs/dbraw/zinc/98/19/33/1292981933.db2.gz BDPIAXHACDCAQR-QGZVFWFLSA-N 1 0 337.423 3.237 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000832778600 1293043358 /nfs/dbraw/zinc/04/33/58/1293043358.db2.gz MLFPTJNINPQDLV-UXHICEINSA-N 1 0 344.499 3.159 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000108928917 1293084059 /nfs/dbraw/zinc/08/40/59/1293084059.db2.gz SCDWNXGBXAFJOR-INIZCTEOSA-N 1 0 333.476 3.046 20 10 EGCDRO Fc1cc(C[NH2+]C[C@H]2CCc3ccccc32)ccc1N1CCOCC1 ZINC000111390695 1293104126 /nfs/dbraw/zinc/10/41/26/1293104126.db2.gz AIOSGMNLPNHBMI-GOSISDBHSA-N 1 0 340.442 3.482 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)c2c1c(F)ccc2O ZINC000834828088 1293154865 /nfs/dbraw/zinc/15/48/65/1293154865.db2.gz OTDVEJGPDYIDPV-DJSGYFEHSA-N 1 0 333.378 3.412 20 10 EGCDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834855929 1293157923 /nfs/dbraw/zinc/15/79/23/1293157923.db2.gz IBWGISUYDGGQAU-YZVOILCLSA-N 1 0 338.467 3.374 20 10 EGCDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000834895250 1293167790 /nfs/dbraw/zinc/16/77/90/1293167790.db2.gz AKNDFNCIBIWLIM-QWRGUYRKSA-N 1 0 338.249 3.170 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000834896740 1293168094 /nfs/dbraw/zinc/16/80/94/1293168094.db2.gz NJAMJWINCAZLAX-HDMKZQKVSA-N 1 0 329.444 3.313 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000834899367 1293169261 /nfs/dbraw/zinc/16/92/61/1293169261.db2.gz PFXHGOWFLBSOKT-QOKNQOGYSA-N 1 0 328.460 3.057 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000834899369 1293169409 /nfs/dbraw/zinc/16/94/09/1293169409.db2.gz PFXHGOWFLBSOKT-URLQWDBASA-N 1 0 328.460 3.057 20 10 EGCDRO CCC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)COC1 ZINC000834900720 1293170044 /nfs/dbraw/zinc/17/00/44/1293170044.db2.gz STGZQONTRPSYIA-AWEZNQCLSA-N 1 0 338.879 3.254 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(C(F)(F)F)cc1O ZINC000834907888 1293172323 /nfs/dbraw/zinc/17/23/23/1293172323.db2.gz FOUHVUBFKXISKQ-IUODEOHRSA-N 1 0 330.350 3.120 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(N(C)C)cc1 ZINC000834910223 1293174211 /nfs/dbraw/zinc/17/42/11/1293174211.db2.gz CMDXMWZZUHDSGS-NZSAHSFTSA-N 1 0 342.487 3.447 20 10 EGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834915339 1293176024 /nfs/dbraw/zinc/17/60/24/1293176024.db2.gz XMQNNOONLOUWQA-LSBZLQRGSA-N 1 0 336.451 3.271 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000835058410 1293194894 /nfs/dbraw/zinc/19/48/94/1293194894.db2.gz NRQITJCPBJZSMT-UHFFFAOYSA-N 1 0 339.435 3.465 20 10 EGCDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000123553405 1293447717 /nfs/dbraw/zinc/44/77/17/1293447717.db2.gz VADSUSIHWTXIAE-KSSFIOAISA-N 1 0 340.895 3.234 20 10 EGCDRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151170274 1293910935 /nfs/dbraw/zinc/91/09/35/1293910935.db2.gz YCHQDKMCYNTDAY-KRWDZBQOSA-N 1 0 349.494 3.189 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)CN3CCC[C@H](C)C3)CC2)cc1 ZINC000151961534 1293946421 /nfs/dbraw/zinc/94/64/21/1293946421.db2.gz VMTUFVLCZNACJW-ZWKOTPCHSA-N 1 0 345.531 3.374 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCOCc2ccccc2)c1O ZINC000154637440 1294064649 /nfs/dbraw/zinc/06/46/49/1294064649.db2.gz ZCOGCBAMSSLTRD-UHFFFAOYSA-N 1 0 331.387 3.383 20 10 EGCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000155326432 1294092646 /nfs/dbraw/zinc/09/26/46/1294092646.db2.gz WCQGDKNZQNRBGS-HZPDHXFCSA-N 1 0 328.460 3.151 20 10 EGCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160045205 1294255829 /nfs/dbraw/zinc/25/58/29/1294255829.db2.gz RSFGHTIYJOBAEZ-HZPDHXFCSA-N 1 0 348.487 3.226 20 10 EGCDRO CNC(=O)CC1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000164441993 1294348094 /nfs/dbraw/zinc/34/80/94/1294348094.db2.gz IUJSGEBKPAYXSP-UHFFFAOYSA-N 1 0 348.487 3.046 20 10 EGCDRO CN(c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1)C1CCCCC1 ZINC000166472140 1294363076 /nfs/dbraw/zinc/36/30/76/1294363076.db2.gz SQKNYPOVHIAPBU-KRWDZBQOSA-N 1 0 329.488 3.214 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(c3ccccc3)CC2)c1O ZINC000175591263 1294565131 /nfs/dbraw/zinc/56/51/31/1294565131.db2.gz YYXIVICWEJKWCG-UHFFFAOYSA-N 1 0 342.414 3.446 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc(OC)c1OC ZINC000176981754 1294646204 /nfs/dbraw/zinc/64/62/04/1294646204.db2.gz LRJKOEHHAMAECL-LLVKDONJSA-N 1 0 335.375 3.408 20 10 EGCDRO Cc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1O ZINC000179888368 1294835941 /nfs/dbraw/zinc/83/59/41/1294835941.db2.gz AXNMEIKRDXSFHH-UHFFFAOYSA-N 1 0 325.387 3.034 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000179970040 1294846003 /nfs/dbraw/zinc/84/60/03/1294846003.db2.gz LSHSQFVYFPRTLT-UHFFFAOYSA-N 1 0 330.403 3.252 20 10 EGCDRO Cc1cccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1O ZINC000180194791 1294868465 /nfs/dbraw/zinc/86/84/65/1294868465.db2.gz KNQDSLIHPJMHAA-UHFFFAOYSA-N 1 0 340.452 3.028 20 10 EGCDRO COc1ccc(O)c(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000180703902 1294909236 /nfs/dbraw/zinc/90/92/36/1294909236.db2.gz ISAYCLVBLSFTKZ-GOSISDBHSA-N 1 0 327.424 3.234 20 10 EGCDRO Cc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(O)c1O ZINC000182973754 1295088074 /nfs/dbraw/zinc/08/80/74/1295088074.db2.gz DZFSZDNSRPWWCH-UHFFFAOYSA-N 1 0 340.423 3.297 20 10 EGCDRO CCCC[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000183005145 1295092255 /nfs/dbraw/zinc/09/22/55/1295092255.db2.gz CCLHKDHTZGGEKZ-UHFFFAOYSA-N 1 0 342.439 3.059 20 10 EGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCN(c2ccccc2)CC1 ZINC000183417502 1295117557 /nfs/dbraw/zinc/11/75/57/1295117557.db2.gz PLOZKFQOHCOOGE-MSOLQXFVSA-N 1 0 339.483 3.254 20 10 EGCDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CC(C)C ZINC000184949383 1295230158 /nfs/dbraw/zinc/23/01/58/1295230158.db2.gz VQKRRNRCZWNHBK-GXTWGEPZSA-N 1 0 326.412 3.343 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N2CCc3ccccc3C2)c1 ZINC000185173760 1295246589 /nfs/dbraw/zinc/24/65/89/1295246589.db2.gz GFFOEXNPEBEUTO-JKSUJKDBSA-N 1 0 340.467 3.498 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185180010 1295247184 /nfs/dbraw/zinc/24/71/84/1295247184.db2.gz ZNHYVFMNXHUEQC-UHFFFAOYSA-N 1 0 347.503 3.436 20 10 EGCDRO C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc2ccccc2c1O ZINC000185361379 1295259293 /nfs/dbraw/zinc/25/92/93/1295259293.db2.gz QXRXOBMQKRQEAK-HNNXBMFYSA-N 1 0 328.456 3.307 20 10 EGCDRO CCOc1cccc(C[NH2+]CCc2nn(C)c3ccccc23)c1O ZINC000187393666 1295386028 /nfs/dbraw/zinc/38/60/28/1295386028.db2.gz PSRWMNHUMPNNFR-UHFFFAOYSA-N 1 0 325.412 3.010 20 10 EGCDRO COc1cccc(C[N@@H+]2CCN(c3ccccc3F)C[C@H]2C)c1O ZINC000188034494 1295430546 /nfs/dbraw/zinc/43/05/46/1295430546.db2.gz AWMGHPBJQUPNSU-CQSZACIVSA-N 1 0 330.403 3.251 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1O ZINC000189834290 1295547797 /nfs/dbraw/zinc/54/77/97/1295547797.db2.gz ZEFKUSOXSIASCV-UHFFFAOYSA-N 1 0 346.402 3.287 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000190008415 1295557055 /nfs/dbraw/zinc/55/70/55/1295557055.db2.gz YSXNRKGMZFSRJV-UHFFFAOYSA-N 1 0 338.423 3.411 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192515294 1295772263 /nfs/dbraw/zinc/77/22/63/1295772263.db2.gz FBHQIBKBXRBDKB-HDICACEKSA-N 1 0 337.467 3.036 20 10 EGCDRO CC(C)[C@H](C[NH2+]Cc1cc(Br)ccc1O)N1CCCC1 ZINC000227436864 1296143701 /nfs/dbraw/zinc/14/37/01/1296143701.db2.gz BUTSCXIUJNBGRL-HNNXBMFYSA-N 1 0 341.293 3.365 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)cc1)C1CCCCC1 ZINC000237055520 1296219634 /nfs/dbraw/zinc/21/96/34/1296219634.db2.gz FLTLUMKFQOWZKL-HXUWFJFHSA-N 1 0 329.488 3.071 20 10 EGCDRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])c(C)n1-c1ccccc1C ZINC000237729179 1296260881 /nfs/dbraw/zinc/26/08/81/1296260881.db2.gz KUFBQUOPAKGGBM-KRWDZBQOSA-N 1 0 325.456 3.356 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000245606154 1296316318 /nfs/dbraw/zinc/31/63/18/1296316318.db2.gz RBMPIHYACAXWFM-JYYAWHABSA-N 1 0 336.451 3.269 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000262956486 1296654331 /nfs/dbraw/zinc/65/43/31/1296654331.db2.gz WAPMTVDHAMVITE-WMLDXEAASA-N 1 0 325.456 3.273 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1Cn1cccn1 ZINC000873076533 1297261363 /nfs/dbraw/zinc/26/13/63/1297261363.db2.gz PPFFHEJITCUOBV-SFHVURJKSA-N 1 0 331.485 3.315 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1Cn1cccn1 ZINC000873105343 1297274763 /nfs/dbraw/zinc/27/47/63/1297274763.db2.gz ZPODKBJFKODWTE-KRWDZBQOSA-N 1 0 331.485 3.315 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccn2)cc1Cn1cccn1 ZINC000873132798 1297288870 /nfs/dbraw/zinc/28/88/70/1297288870.db2.gz GNTYNBMPSIQFFJ-MRXNPFEDSA-N 1 0 336.439 3.056 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000873179524 1297330643 /nfs/dbraw/zinc/33/06/43/1297330643.db2.gz LEMFYTWDJAGHSN-INIZCTEOSA-N 1 0 335.831 3.138 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000383846388 1297574781 /nfs/dbraw/zinc/57/47/81/1297574781.db2.gz LDOYQKFEDFODNA-CABCVRRESA-N 1 0 332.444 3.369 20 10 EGCDRO Cc1cc(C)n(CCC[NH2+]Cc2c(O)cccc2Br)n1 ZINC000706809023 1298222197 /nfs/dbraw/zinc/22/21/97/1298222197.db2.gz GBXNPIWHKHGPDM-UHFFFAOYSA-N 1 0 338.249 3.148 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CCOCc1ccccc1 ZINC000706821299 1298222760 /nfs/dbraw/zinc/22/27/60/1298222760.db2.gz BITYAKUOXZDMBL-UHFFFAOYSA-N 1 0 336.229 3.461 20 10 EGCDRO C[NH+](C)CC1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715758238 1298285789 /nfs/dbraw/zinc/28/57/89/1298285789.db2.gz JIFRCWFORAHGNO-UHFFFAOYSA-N 1 0 345.256 3.067 20 10 EGCDRO C[NH+]1CCC(CC[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715826879 1298288058 /nfs/dbraw/zinc/28/80/58/1298288058.db2.gz JYLVYXANYMFZHW-UHFFFAOYSA-N 1 0 345.256 3.115 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000719569799 1298321071 /nfs/dbraw/zinc/32/10/71/1298321071.db2.gz DFVDACFHFOTPJO-UHFFFAOYSA-N 1 0 339.258 3.390 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1O ZINC000725848485 1298375003 /nfs/dbraw/zinc/37/50/03/1298375003.db2.gz UHWUKNUXBJXLDG-CYBMUJFWSA-N 1 0 342.395 3.208 20 10 EGCDRO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876538732 1298815024 /nfs/dbraw/zinc/81/50/24/1298815024.db2.gz VXGOXUFRZWMQNS-UHFFFAOYSA-N 1 0 328.431 3.419 20 10 EGCDRO Cc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC000876649324 1298896647 /nfs/dbraw/zinc/89/66/47/1298896647.db2.gz SKUDMEBPEFCWRR-UHFFFAOYSA-N 1 0 339.483 3.235 20 10 EGCDRO C[N@H+](CCc1cccs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876769008 1298971391 /nfs/dbraw/zinc/97/13/91/1298971391.db2.gz PRYLKMDFBAQETA-UHFFFAOYSA-N 1 0 330.497 3.384 20 10 EGCDRO CS[C@@H]1CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876811811 1299004735 /nfs/dbraw/zinc/00/47/35/1299004735.db2.gz NLTMFJFKCRXVHV-LJQANCHMSA-N 1 0 334.529 3.365 20 10 EGCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000748973854 1299121142 /nfs/dbraw/zinc/12/11/42/1299121142.db2.gz YCTWHAXACYXCLD-LPHOPBHVSA-N 1 0 346.519 3.075 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)c(O)c1 ZINC000877081138 1299148594 /nfs/dbraw/zinc/14/85/94/1299148594.db2.gz XODSHXGCSVFXIZ-LJQANCHMSA-N 1 0 338.451 3.024 20 10 EGCDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1c1cccc(Cl)c1 ZINC000749883968 1299291377 /nfs/dbraw/zinc/29/13/77/1299291377.db2.gz PJRBXKPSYQMRAP-QGZVFWFLSA-N 1 0 342.826 3.170 20 10 EGCDRO CC1(C)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC(C)(C)O1 ZINC000877463231 1299317470 /nfs/dbraw/zinc/31/74/70/1299317470.db2.gz AQTBVFBDLSRKCR-UHFFFAOYSA-N 1 0 332.488 3.037 20 10 EGCDRO CC1(C)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000877484638 1299335638 /nfs/dbraw/zinc/33/56/38/1299335638.db2.gz DVISZXGVJRVJLB-UHFFFAOYSA-N 1 0 334.529 3.365 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](OC)C3CCCC3)C2)cc1 ZINC000877598336 1299422644 /nfs/dbraw/zinc/42/26/44/1299422644.db2.gz LFFRFOJMQUWWDL-OXJNMPFZSA-N 1 0 332.488 3.316 20 10 EGCDRO C[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1Cc1ccccc1 ZINC000751071050 1299506808 /nfs/dbraw/zinc/50/68/08/1299506808.db2.gz RKLPZHNLXDDJQO-DZGCQCFKSA-N 1 0 330.453 3.237 20 10 EGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2O)n2c1CCCC2 ZINC000877755972 1299532357 /nfs/dbraw/zinc/53/23/57/1299532357.db2.gz VOINHGGBLASTLJ-CYBMUJFWSA-N 1 0 328.412 3.167 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1Cn1cccn1 ZINC000877757469 1299533888 /nfs/dbraw/zinc/53/38/88/1299533888.db2.gz KKLXBMYJSSJOMD-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO Cc1cc(CC(=O)NCC[NH+]2CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000752297057 1299719852 /nfs/dbraw/zinc/71/98/52/1299719852.db2.gz IKLGTANULJTSMK-UHFFFAOYSA-N 1 0 345.874 3.112 20 10 EGCDRO Cc1cc(C(=O)NCC[NH+]2CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000752298144 1299719979 /nfs/dbraw/zinc/71/99/79/1299719979.db2.gz AECBSISXGMORBJ-UHFFFAOYSA-N 1 0 331.847 3.183 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)c1O ZINC000753375081 1299923961 /nfs/dbraw/zinc/92/39/61/1299923961.db2.gz ZNRREQIAOVNMAZ-OLZOCXBDSA-N 1 0 344.249 3.066 20 10 EGCDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C2 ZINC000753576254 1299978964 /nfs/dbraw/zinc/97/89/64/1299978964.db2.gz QFZNGAUFEAGROQ-INIZCTEOSA-N 1 0 343.423 3.065 20 10 EGCDRO Cc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000754890329 1300240321 /nfs/dbraw/zinc/24/03/21/1300240321.db2.gz RDIDXWHNPPJGJC-GOSISDBHSA-N 1 0 346.496 3.069 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000756035038 1300429702 /nfs/dbraw/zinc/42/97/02/1300429702.db2.gz SACRZRICNJFMID-ZLOXQWCVSA-N 1 0 333.453 3.379 20 10 EGCDRO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(Br)cc1O ZINC000756380241 1300481038 /nfs/dbraw/zinc/48/10/38/1300481038.db2.gz FNMNNTWEKXOWFU-BMIGLBTASA-N 1 0 349.228 3.032 20 10 EGCDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)N1CCOCC1 ZINC000756398061 1300484478 /nfs/dbraw/zinc/48/44/78/1300484478.db2.gz BGJVLHKESWICGD-VQIMIIECSA-N 1 0 334.504 3.488 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)c2c1c(F)ccc2O ZINC000756402817 1300484587 /nfs/dbraw/zinc/48/45/87/1300484587.db2.gz ZAPFVGVPWFIFKW-IAQYHMDHSA-N 1 0 332.419 3.070 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Br)ccc1O ZINC000756431710 1300489313 /nfs/dbraw/zinc/48/93/13/1300489313.db2.gz DJDGALWXNNKFOX-YGRLFVJLSA-N 1 0 327.266 3.146 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc2ccccc2c1O ZINC000756431554 1300489486 /nfs/dbraw/zinc/48/94/86/1300489486.db2.gz NEJOLSRJTDAGSC-AWEZNQCLSA-N 1 0 345.406 3.372 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(Br)cc1O ZINC000756460548 1300497266 /nfs/dbraw/zinc/49/72/66/1300497266.db2.gz SCRYLKGWUKHVAE-NSHDSACASA-N 1 0 336.229 3.498 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1O ZINC000756571795 1300524153 /nfs/dbraw/zinc/52/41/53/1300524153.db2.gz FOIRYDHZTIYTLP-CZUORRHYSA-N 1 0 338.879 3.340 20 10 EGCDRO CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756762018 1300561270 /nfs/dbraw/zinc/56/12/70/1300561270.db2.gz SGXWGFMLQWORCI-GJZGRUSLSA-N 1 0 335.448 3.319 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccccc1O ZINC000879647837 1300648198 /nfs/dbraw/zinc/64/81/98/1300648198.db2.gz NEWUFTVYNIPMHW-CYBMUJFWSA-N 1 0 332.831 3.055 20 10 EGCDRO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648886 1300649457 /nfs/dbraw/zinc/64/94/57/1300649457.db2.gz FUIUSWGUBZARNU-CQSZACIVSA-N 1 0 344.480 3.423 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)c2c1c(F)ccc2O ZINC000757660663 1300706223 /nfs/dbraw/zinc/70/62/23/1300706223.db2.gz IPLMTPGHUKSSCW-ZBEGNZNMSA-N 1 0 340.398 3.155 20 10 EGCDRO Cc1cnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000758160378 1300797403 /nfs/dbraw/zinc/79/74/03/1300797403.db2.gz VLVJYKLAAGAIJR-OAHLLOKOSA-N 1 0 332.835 3.221 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1F ZINC000758522101 1300901865 /nfs/dbraw/zinc/90/18/65/1300901865.db2.gz HYKGDQZWDTYLJJ-FXAWDEMLSA-N 1 0 346.421 3.287 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1F ZINC000758522105 1300903499 /nfs/dbraw/zinc/90/34/99/1300903499.db2.gz HYKGDQZWDTYLJJ-PXNSSMCTSA-N 1 0 346.421 3.287 20 10 EGCDRO OC[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)C[C@H]1c1ccc(F)cc1 ZINC000758529593 1300904162 /nfs/dbraw/zinc/90/41/62/1300904162.db2.gz QGERVCUCOPTPAD-YJBOKZPZSA-N 1 0 335.806 3.441 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000758530625 1300904333 /nfs/dbraw/zinc/90/43/33/1300904333.db2.gz VGUPXGVYSPHXDH-AZUAARDMSA-N 1 0 345.414 3.186 20 10 EGCDRO Cc1cccc2ncc(CN(C)c3ccc(OCC[NH+](C)C)cc3)n21 ZINC000761221903 1301422786 /nfs/dbraw/zinc/42/27/86/1301422786.db2.gz GBCFVIGLYPNKAS-UHFFFAOYSA-N 1 0 338.455 3.220 20 10 EGCDRO CCN(CC)C(=O)C1([NH2+]Cc2cc(C)cc(OC)c2O)CCCCC1 ZINC000763337312 1301879305 /nfs/dbraw/zinc/87/93/05/1301879305.db2.gz CKZGXQDFTMGZTB-UHFFFAOYSA-N 1 0 348.487 3.370 20 10 EGCDRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(N(C)C)cc1 ZINC000764806476 1302139044 /nfs/dbraw/zinc/13/90/44/1302139044.db2.gz QHVWTLBKKZJSQM-KXBFYZLASA-N 1 0 344.503 3.130 20 10 EGCDRO C[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765348070 1302252097 /nfs/dbraw/zinc/25/20/97/1302252097.db2.gz IOUITSATXUMCDP-INIZCTEOSA-N 1 0 325.456 3.456 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000765681235 1302305805 /nfs/dbraw/zinc/30/58/05/1302305805.db2.gz SVEZNWBWOZTWTI-XLIONFOSSA-N 1 0 330.472 3.211 20 10 EGCDRO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765765067 1302320074 /nfs/dbraw/zinc/32/00/74/1302320074.db2.gz CROXVRPEIZKFIW-CVEARBPZSA-N 1 0 337.483 3.043 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765790206 1302328651 /nfs/dbraw/zinc/32/86/51/1302328651.db2.gz UKTKEWOPDXZFDQ-IAGOWNOFSA-N 1 0 349.494 3.187 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765791186 1302329194 /nfs/dbraw/zinc/32/91/94/1302329194.db2.gz YTZYDDUXHVUWSO-GOSISDBHSA-N 1 0 345.531 3.438 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000765844359 1302338161 /nfs/dbraw/zinc/33/81/61/1302338161.db2.gz DPUBSWQBLGHNRR-SCLBCKFNSA-N 1 0 329.400 3.045 20 10 EGCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765857815 1302340934 /nfs/dbraw/zinc/34/09/34/1302340934.db2.gz GKPXBWYISZTUNX-ICSRJNTNSA-N 1 0 345.531 3.438 20 10 EGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765994655 1302364366 /nfs/dbraw/zinc/36/43/66/1302364366.db2.gz QLXLEOJTGQWLRD-ZENOOKHLSA-N 1 0 326.868 3.023 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)c(O)c1 ZINC000883286621 1302366288 /nfs/dbraw/zinc/36/62/88/1302366288.db2.gz XJHIKNCVEFZTHB-CQSZACIVSA-N 1 0 325.412 3.081 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1[O-] ZINC000883290261 1302370041 /nfs/dbraw/zinc/37/00/41/1302370041.db2.gz PNAPMECGNHYFQW-HNNXBMFYSA-N 1 0 343.446 3.134 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)c1cccc(OCC[NH2+]C)c1 ZINC000884113088 1302739646 /nfs/dbraw/zinc/73/96/46/1302739646.db2.gz FVGMDOFXJXJBGB-UHFFFAOYSA-N 1 0 342.439 3.043 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000768133902 1302832065 /nfs/dbraw/zinc/83/20/65/1302832065.db2.gz MYDXPHJFNJQJBU-UHFFFAOYSA-N 1 0 339.487 3.165 20 10 EGCDRO CCOc1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c(O)c1 ZINC000768180692 1302846160 /nfs/dbraw/zinc/84/61/60/1302846160.db2.gz OACZFBHGWNTLIC-INIZCTEOSA-N 1 0 329.396 3.063 20 10 EGCDRO COc1cccc(O)c1CN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000768251580 1302865558 /nfs/dbraw/zinc/86/55/58/1302865558.db2.gz PZEOUZMLTGROBP-UHFFFAOYSA-N 1 0 340.467 3.417 20 10 EGCDRO CC(C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440018 1302901822 /nfs/dbraw/zinc/90/18/22/1302901822.db2.gz NDMWLJRNZIQHFQ-LJQANCHMSA-N 1 0 327.424 3.476 20 10 EGCDRO CCOC(=O)CC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768441347 1302904326 /nfs/dbraw/zinc/90/43/26/1302904326.db2.gz KAUDFDKYAPBDIF-UHFFFAOYSA-N 1 0 331.456 3.436 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(C(=O)OC)cc2)c(O)c1 ZINC000768782846 1302977431 /nfs/dbraw/zinc/97/74/31/1302977431.db2.gz NYIBHSXONHORJA-UHFFFAOYSA-N 1 0 329.396 3.210 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)COC4)CC2)cc1 ZINC000768999574 1303029531 /nfs/dbraw/zinc/02/95/31/1303029531.db2.gz ZMJVVUMNOPUGDQ-UHFFFAOYSA-N 1 0 338.451 3.438 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1Cc2ccccc2C1 ZINC000769032184 1303033919 /nfs/dbraw/zinc/03/39/19/1303033919.db2.gz CPAOBRRHVDCALM-UHFFFAOYSA-N 1 0 340.442 3.262 20 10 EGCDRO CC(C)COC(=O)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000769225511 1303075652 /nfs/dbraw/zinc/07/56/52/1303075652.db2.gz JFLXPNMDZRNVSF-UHFFFAOYSA-N 1 0 340.851 3.346 20 10 EGCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769332334 1303094157 /nfs/dbraw/zinc/09/41/57/1303094157.db2.gz AHDUIJLWGOLWKH-AWEZNQCLSA-N 1 0 340.851 3.487 20 10 EGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c1O ZINC000769496123 1303127063 /nfs/dbraw/zinc/12/70/63/1303127063.db2.gz KKBVLKFBJXKKQT-IAGOWNOFSA-N 1 0 334.460 3.012 20 10 EGCDRO Cc1c[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771062527 1303354614 /nfs/dbraw/zinc/35/46/14/1303354614.db2.gz AQXULZXJVBMHLB-HNNXBMFYSA-N 1 0 347.846 3.077 20 10 EGCDRO CC(C)[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771063300 1303355827 /nfs/dbraw/zinc/35/58/27/1303355827.db2.gz DZUPANCVPDKOTO-CJNGLKHVSA-N 1 0 338.879 3.418 20 10 EGCDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324825 1303434383 /nfs/dbraw/zinc/43/43/83/1303434383.db2.gz ILMWYUULJYNMPO-KXBFYZLASA-N 1 0 343.515 3.303 20 10 EGCDRO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1c([O-])cccc1F ZINC000886542640 1303492602 /nfs/dbraw/zinc/49/26/02/1303492602.db2.gz CWBFVSQWYHNNJE-CQSZACIVSA-N 1 0 329.419 3.494 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886607197 1303521105 /nfs/dbraw/zinc/52/11/05/1303521105.db2.gz MKJJGAJRFFIOHJ-SUMWQHHRSA-N 1 0 332.419 3.493 20 10 EGCDRO CC(C)(C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000772951823 1303597670 /nfs/dbraw/zinc/59/76/70/1303597670.db2.gz FQGBEZBFWYLYDJ-INIZCTEOSA-N 1 0 349.475 3.472 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000773106250 1303625922 /nfs/dbraw/zinc/62/59/22/1303625922.db2.gz IYUBLNGQUMATOP-NBHGPNQESA-N 1 0 342.483 3.278 20 10 EGCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773132520 1303631341 /nfs/dbraw/zinc/63/13/41/1303631341.db2.gz OOXHSHGNANMSSI-IPELMVKDSA-N 1 0 329.488 3.242 20 10 EGCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773291304 1303656105 /nfs/dbraw/zinc/65/61/05/1303656105.db2.gz JCZJRYRJQDAOGB-FUHWJXTLSA-N 1 0 346.519 3.377 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(C(=O)OC)n2)cc1 ZINC000773735224 1303732348 /nfs/dbraw/zinc/73/23/48/1303732348.db2.gz ZLHUUEWDAGIXKH-UHFFFAOYSA-N 1 0 341.455 3.346 20 10 EGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753911 1303734996 /nfs/dbraw/zinc/73/49/96/1303734996.db2.gz DTUBLASZXIAXDZ-GOSISDBHSA-N 1 0 331.504 3.271 20 10 EGCDRO CCN(C)c1ccc(CN2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000773836105 1303743473 /nfs/dbraw/zinc/74/34/73/1303743473.db2.gz DKHYGUZAHWTVMQ-RBUKOAKNSA-N 1 0 333.545 3.154 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774480768 1303814958 /nfs/dbraw/zinc/81/49/58/1303814958.db2.gz DIHIEGRIGCZTEX-SJORKVTESA-N 1 0 339.483 3.450 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 ZINC000774480767 1303815391 /nfs/dbraw/zinc/81/53/91/1303815391.db2.gz DIHIEGRIGCZTEX-IRXDYDNUSA-N 1 0 339.483 3.450 20 10 EGCDRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774486130 1303816614 /nfs/dbraw/zinc/81/66/14/1303816614.db2.gz WAUODIRBGJHGNA-CABCVRRESA-N 1 0 343.475 3.208 20 10 EGCDRO COCC[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000775034045 1303892053 /nfs/dbraw/zinc/89/20/53/1303892053.db2.gz PPQRACJVWNYMSE-HXUWFJFHSA-N 1 0 327.424 3.344 20 10 EGCDRO COc1c(O)c(C[NH2+]Cc2ccc(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000775085490 1303904911 /nfs/dbraw/zinc/90/49/11/1303904911.db2.gz QIPFMPBFTIAHHX-UHFFFAOYSA-N 1 0 340.738 3.391 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOc2ccc3c(c2)OCO3)c1 ZINC000775370581 1303948865 /nfs/dbraw/zinc/94/88/65/1303948865.db2.gz WUWZTAFARFGHGR-ZDUSSCGKSA-N 1 0 345.395 3.249 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)c1ccccc1O ZINC000775414265 1303960553 /nfs/dbraw/zinc/96/05/53/1303960553.db2.gz GYNZDQXGEIROQL-SJLPKXTDSA-N 1 0 329.440 3.490 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Br)ccc1O ZINC000775523864 1303978565 /nfs/dbraw/zinc/97/85/65/1303978565.db2.gz OGJRKNVFKKANIA-OCCSQVGLSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000775830666 1304045886 /nfs/dbraw/zinc/04/58/86/1304045886.db2.gz MHTZYYVMQBIPML-YYIAUSFCSA-N 1 0 331.504 3.296 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000775834356 1304046370 /nfs/dbraw/zinc/04/63/70/1304046370.db2.gz SIAIQCCJFNBUKH-BEFAXECRSA-N 1 0 339.439 3.429 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1ccc(N(C)C)cc1 ZINC000775834138 1304046430 /nfs/dbraw/zinc/04/64/30/1304046430.db2.gz KNNOCYMRRFRIHS-KGLIPLIRSA-N 1 0 331.485 3.342 20 10 EGCDRO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775836605 1304047641 /nfs/dbraw/zinc/04/76/41/1304047641.db2.gz ODBJVYKEORKVML-ZDUSSCGKSA-N 1 0 345.409 3.203 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000775994458 1304075690 /nfs/dbraw/zinc/07/56/90/1304075690.db2.gz ICTQRYFFCRHJME-UHFFFAOYSA-N 1 0 339.487 3.060 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2OC)[C@@H]1Oc1ccccc1 ZINC000776007178 1304078539 /nfs/dbraw/zinc/07/85/39/1304078539.db2.gz MDYAJZYZYRUHFN-DBVUQKKJSA-N 1 0 343.423 3.115 20 10 EGCDRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000776239149 1304120037 /nfs/dbraw/zinc/12/00/37/1304120037.db2.gz RHXOFYDYTPEZHK-APWZRJJASA-N 1 0 344.503 3.083 20 10 EGCDRO C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000776250009 1304120732 /nfs/dbraw/zinc/12/07/32/1304120732.db2.gz RSLNKQXFGWYISP-INIZCTEOSA-N 1 0 346.519 3.425 20 10 EGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776256917 1304122024 /nfs/dbraw/zinc/12/20/24/1304122024.db2.gz SOFNNBBDGZUVRJ-BXUZGUMPSA-N 1 0 328.250 3.368 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000779004324 1304517130 /nfs/dbraw/zinc/51/71/30/1304517130.db2.gz UQZLUOZQYBYOHY-ZWNOBZJWSA-N 1 0 340.217 3.440 20 10 EGCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000779031898 1304520389 /nfs/dbraw/zinc/52/03/89/1304520389.db2.gz BGXZFSQACDAKJA-IUODEOHRSA-N 1 0 338.423 3.409 20 10 EGCDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1O ZINC000779034234 1304520665 /nfs/dbraw/zinc/52/06/65/1304520665.db2.gz QRJITVVBXFTRCL-STQMWFEESA-N 1 0 338.423 3.266 20 10 EGCDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000779031897 1304520697 /nfs/dbraw/zinc/52/06/97/1304520697.db2.gz BGXZFSQACDAKJA-DOMZBBRYSA-N 1 0 338.423 3.409 20 10 EGCDRO OCC[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000779202286 1304541857 /nfs/dbraw/zinc/54/18/57/1304541857.db2.gz MTTVBBDZXFNUOC-GOSISDBHSA-N 1 0 327.424 3.318 20 10 EGCDRO CC/C(C)=C(\C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000779922001 1304622177 /nfs/dbraw/zinc/62/21/77/1304622177.db2.gz WWHYFIHAOWLDIY-FOCLMDBBSA-N 1 0 347.478 3.330 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cc(Br)ccc1O ZINC000783647330 1305122292 /nfs/dbraw/zinc/12/22/92/1305122292.db2.gz JYFSGLPESBFFPR-CQDKDKBSSA-N 1 0 339.277 3.432 20 10 EGCDRO CCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000892101946 1305251386 /nfs/dbraw/zinc/25/13/86/1305251386.db2.gz PAQRNFCJVOUJHN-KYNGSXCRSA-N 1 0 349.471 3.435 20 10 EGCDRO Oc1cccc2c(NCc3ccc(N4CCOCC4)cc3)cc[nH+]c12 ZINC000784575010 1305259978 /nfs/dbraw/zinc/25/99/78/1305259978.db2.gz ZCTJBWVCCXBECW-UHFFFAOYSA-N 1 0 335.407 3.389 20 10 EGCDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000784640241 1305267442 /nfs/dbraw/zinc/26/74/42/1305267442.db2.gz NATXIVIDBIDPCF-RDTXWAMCSA-N 1 0 333.432 3.242 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cnc1F ZINC000892612138 1305470657 /nfs/dbraw/zinc/47/06/57/1305470657.db2.gz DQYQZQIQYOFXFA-UHFFFAOYSA-N 1 0 331.460 3.372 20 10 EGCDRO COc1ccc(C[NH2+]CCOc2c(C)cccc2C)c(O)c1OC ZINC000892642771 1305486861 /nfs/dbraw/zinc/48/68/61/1305486861.db2.gz VEJWBTGNDYRAHH-UHFFFAOYSA-N 1 0 331.412 3.195 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)COc2cccc(C)c2)c(O)c1OC ZINC000892663488 1305494370 /nfs/dbraw/zinc/49/43/70/1305494370.db2.gz VVPWHQRDFBSMMH-CQSZACIVSA-N 1 0 331.412 3.275 20 10 EGCDRO COc1ccc(C[NH2+]CC(C)(C)N2CCC[C@H](C)C2)c(O)c1OC ZINC000892669127 1305497017 /nfs/dbraw/zinc/49/70/17/1305497017.db2.gz VUDIBPGJVABSIY-AWEZNQCLSA-N 1 0 336.476 3.010 20 10 EGCDRO COc1ccc(C[NH2+]CCCOc2ccccc2C)c(O)c1OC ZINC000892918414 1305608463 /nfs/dbraw/zinc/60/84/63/1305608463.db2.gz DQUHINBKNIQHCK-UHFFFAOYSA-N 1 0 331.412 3.277 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788601292 1305979132 /nfs/dbraw/zinc/97/91/32/1305979132.db2.gz HWKIBNZXZDYNTR-HNNXBMFYSA-N 1 0 326.440 3.262 20 10 EGCDRO CCO[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000894068169 1306200723 /nfs/dbraw/zinc/20/07/23/1306200723.db2.gz ODYFZISUGDPJCM-QGZVFWFLSA-N 1 0 331.412 3.277 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c(O)c1OC ZINC000894074697 1306203821 /nfs/dbraw/zinc/20/38/21/1306203821.db2.gz WTMIUDXRQUXOLO-IBGZPJMESA-N 1 0 345.439 3.259 20 10 EGCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000894287190 1306322366 /nfs/dbraw/zinc/32/23/66/1306322366.db2.gz UHVVXIQUILTKBX-DLBZAZTESA-N 1 0 346.519 3.187 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c1O ZINC000894341184 1306349472 /nfs/dbraw/zinc/34/94/72/1306349472.db2.gz WYASKUSLDZAJDE-WBVHZDCISA-N 1 0 329.440 3.354 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000894363864 1306362263 /nfs/dbraw/zinc/36/22/63/1306362263.db2.gz HEUCFECDVPOUSU-JCQPUDPBSA-N 1 0 333.453 3.297 20 10 EGCDRO C[N@H+](CCc1ccncc1)Cc1cc(Br)cc(F)c1[O-] ZINC000894450565 1308896177 /nfs/dbraw/zinc/89/61/77/1308896177.db2.gz KTCLUZUCEKFGFJ-UHFFFAOYSA-N 1 0 339.208 3.363 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c(O)c1OC ZINC000894544280 1308948026 /nfs/dbraw/zinc/94/80/26/1308948026.db2.gz LPZSFEVYHXBQEU-GOSISDBHSA-N 1 0 349.452 3.049 20 10 EGCDRO COc1ccc(CNc2ccc(C[NH+](C)C)cc2F)c(O)c1OC ZINC000894906726 1309123039 /nfs/dbraw/zinc/12/30/39/1309123039.db2.gz AYRHFGUQMYDINO-UHFFFAOYSA-N 1 0 334.391 3.222 20 10 EGCDRO CCc1onc(C)c1C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000895005824 1309151533 /nfs/dbraw/zinc/15/15/33/1309151533.db2.gz IYDHFRDJCCLTEI-OAHLLOKOSA-N 1 0 329.444 3.170 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnn(C3CCC3)c2)cc1 ZINC000895150639 1309211746 /nfs/dbraw/zinc/21/17/46/1309211746.db2.gz CAINPDHKLFISLY-UHFFFAOYSA-N 1 0 328.460 3.185 20 10 EGCDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000895154999 1309214207 /nfs/dbraw/zinc/21/42/07/1309214207.db2.gz BFRNHMQYIKRAEB-GFCCVEGCSA-N 1 0 349.814 3.276 20 10 EGCDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000792934501 1309263538 /nfs/dbraw/zinc/26/35/38/1309263538.db2.gz MMMQZGJTRDLGLD-JXFKEZNVSA-N 1 0 340.467 3.263 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1 ZINC000792967894 1309272112 /nfs/dbraw/zinc/27/21/12/1309272112.db2.gz DEGHZFRCCDOLDP-CYBMUJFWSA-N 1 0 327.394 3.098 20 10 EGCDRO CCc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[nH]n1 ZINC000792979443 1309274681 /nfs/dbraw/zinc/27/46/81/1309274681.db2.gz IVGRGDILXAAERP-UHFFFAOYSA-N 1 0 326.366 3.347 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC(F)(F)F)c(C(F)(F)F)c1 ZINC000793029327 1309283264 /nfs/dbraw/zinc/28/32/64/1309283264.db2.gz UIRJMGTWOFLRBG-JTQLQIEISA-N 1 0 344.299 3.174 20 10 EGCDRO C[C@H]1CCCN1CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793047170 1309287332 /nfs/dbraw/zinc/28/73/32/1309287332.db2.gz IHVXDJRVIARANC-ZDUSSCGKSA-N 1 0 329.410 3.345 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH+]2CC([C@@H]3CCOC3)C2)ccc1N1CCCCC1 ZINC000793258825 1309335266 /nfs/dbraw/zinc/33/52/66/1309335266.db2.gz OTZNUNUPIFBYPU-MRXNPFEDSA-N 1 0 345.443 3.053 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCN2CC=CCC2)c(C(F)(F)F)c1 ZINC000793319431 1309344879 /nfs/dbraw/zinc/34/48/79/1309344879.db2.gz OONLRSOYMWZVLY-UHFFFAOYSA-N 1 0 327.394 3.123 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC000793620518 1309418832 /nfs/dbraw/zinc/41/88/32/1309418832.db2.gz PUXQDEKTFUPMNA-LJQANCHMSA-N 1 0 340.467 3.150 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896386026 1309833614 /nfs/dbraw/zinc/83/36/14/1309833614.db2.gz WWRDTHRZMRFAHG-KRWDZBQOSA-N 1 0 325.408 3.254 20 10 EGCDRO COc1cccc(O)c1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000796440106 1309999714 /nfs/dbraw/zinc/99/97/14/1309999714.db2.gz AWFCGYNVHYYLBO-UHFFFAOYSA-N 1 0 330.403 3.430 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCC(C)(C)C2)cc1 ZINC000796529581 1310020239 /nfs/dbraw/zinc/02/02/39/1310020239.db2.gz CNTLTIQJNXMDIV-SFHVURJKSA-N 1 0 331.504 3.222 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CC2CC2)CC2CCC2)cc1 ZINC000796574798 1310038952 /nfs/dbraw/zinc/03/89/52/1310038952.db2.gz KFJDOGIVJRUFTD-UHFFFAOYSA-N 1 0 343.515 3.223 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000797132393 1310145747 /nfs/dbraw/zinc/14/57/47/1310145747.db2.gz QFYXCJKHMAZCNN-CMJOXMDJSA-N 1 0 330.497 3.482 20 10 EGCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000797413267 1310186905 /nfs/dbraw/zinc/18/69/05/1310186905.db2.gz JMRUFAUOUJLMDE-HXUWFJFHSA-N 1 0 338.407 3.250 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897544055 1310373420 /nfs/dbraw/zinc/37/34/20/1310373420.db2.gz FGUSFBWXTZCQJB-SFHVURJKSA-N 1 0 346.519 3.016 20 10 EGCDRO C[C@@]1(CNC(=O)C2=CC(=O)CS2)CC[N@H+](Cc2ccccc2)C1 ZINC000799102526 1310487737 /nfs/dbraw/zinc/48/77/37/1310487737.db2.gz GKXSSDLZMLHZGB-SFHVURJKSA-N 1 0 330.453 3.096 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1F ZINC000799343940 1310530121 /nfs/dbraw/zinc/53/01/21/1310530121.db2.gz QNIVOLSOQQUAGJ-FQEVSTJZSA-N 1 0 328.431 3.205 20 10 EGCDRO COC(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000799341460 1310531105 /nfs/dbraw/zinc/53/11/05/1310531105.db2.gz PZOJTRFANQJCLO-UHFFFAOYSA-N 1 0 330.472 3.500 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000898451901 1310741473 /nfs/dbraw/zinc/74/14/73/1310741473.db2.gz QLUBGIUFPSLISX-LJQANCHMSA-N 1 0 342.443 3.053 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000801549401 1310965091 /nfs/dbraw/zinc/96/50/91/1310965091.db2.gz MUNXGSIJFQDTCE-UHFFFAOYSA-N 1 0 330.472 3.395 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCc3ccccc3OC2)c1O ZINC000801570986 1310968561 /nfs/dbraw/zinc/96/85/61/1310968561.db2.gz TWDWAKBGQZWBIC-INIZCTEOSA-N 1 0 329.371 3.217 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cc1Cl ZINC000824593951 1320268702 /nfs/dbraw/zinc/26/87/02/1320268702.db2.gz WCVQRNUQIAUYPS-UHFFFAOYSA-N 1 0 338.879 3.433 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000824893130 1320294318 /nfs/dbraw/zinc/29/43/18/1320294318.db2.gz LHNKJDAIJDKIMG-AAEUAGOBSA-N 1 0 330.350 3.073 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)c1 ZINC000825331606 1320328930 /nfs/dbraw/zinc/32/89/30/1320328930.db2.gz JMDOTEUAGNGPIK-UHFFFAOYSA-N 1 0 346.393 3.249 20 10 EGCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825731002 1320358996 /nfs/dbraw/zinc/35/89/96/1320358996.db2.gz BQIQIDVSAGLYJF-SMDDNHRTSA-N 1 0 328.250 3.280 20 10 EGCDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000826120472 1320384374 /nfs/dbraw/zinc/38/43/74/1320384374.db2.gz DSGHGOHZEGVGKN-BMIGLBTASA-N 1 0 328.250 3.448 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000836484762 1320493635 /nfs/dbraw/zinc/49/36/35/1320493635.db2.gz FRKYIWOWEFGXQL-OAHLLOKOSA-N 1 0 349.475 3.027 20 10 EGCDRO CCOc1ccc(CNc2ccc(OCC[NH+](C)C)c(F)c2)c(O)c1 ZINC000839188368 1320890015 /nfs/dbraw/zinc/89/00/15/1320890015.db2.gz FSPWHGJVWQJEKU-UHFFFAOYSA-N 1 0 348.418 3.483 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1O ZINC000839540221 1320935082 /nfs/dbraw/zinc/93/50/82/1320935082.db2.gz IZAFYHKQMDPXCU-DLBZAZTESA-N 1 0 328.387 3.378 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1cccs1)c1ccc(N(C)C)cc1 ZINC000839563484 1320938526 /nfs/dbraw/zinc/93/85/26/1320938526.db2.gz LBEINURIVWZPIE-AWEZNQCLSA-N 1 0 331.485 3.123 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)C3(OC)CCC3)cc2)CC1 ZINC000839661711 1320955206 /nfs/dbraw/zinc/95/52/06/1320955206.db2.gz YXNPHGHMXNGPAP-MRXNPFEDSA-N 1 0 332.488 3.349 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](OCCOC)C2)cc1F ZINC000802652316 1317022537 /nfs/dbraw/zinc/02/25/37/1317022537.db2.gz DGSMPTYLWKXHFM-KRWDZBQOSA-N 1 0 338.467 3.299 20 10 EGCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1C ZINC000858116901 1328687518 /nfs/dbraw/zinc/68/75/18/1328687518.db2.gz SGJLGDVKGJBPOA-UHFFFAOYSA-N 1 0 347.434 3.303 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2nc(C(F)(F)F)cc2C)c1 ZINC000903165872 1317665974 /nfs/dbraw/zinc/66/59/74/1317665974.db2.gz XAGOFCHZVIORJI-LLVKDONJSA-N 1 0 343.349 3.275 20 10 EGCDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000808443458 1317678207 /nfs/dbraw/zinc/67/82/07/1317678207.db2.gz FENLLPIABAZIQD-VBKZILBWSA-N 1 0 342.414 3.274 20 10 EGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000808455057 1317681395 /nfs/dbraw/zinc/68/13/95/1317681395.db2.gz URATXFVOLXERNR-LBPRGKRZSA-N 1 0 329.282 3.365 20 10 EGCDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000903344882 1317688869 /nfs/dbraw/zinc/68/88/69/1317688869.db2.gz YMOLXFVEKZNOAK-DOTOQJQBSA-N 1 0 328.456 3.307 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1O ZINC000808700207 1317717064 /nfs/dbraw/zinc/71/70/64/1317717064.db2.gz WAYLUMKOBJALRQ-GFCCVEGCSA-N 1 0 348.830 3.069 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1O ZINC000808715879 1317720872 /nfs/dbraw/zinc/72/08/72/1317720872.db2.gz YHKRRSOTQBBGQT-LBPRGKRZSA-N 1 0 344.842 3.491 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)CCC(C)C)c1O ZINC000858241578 1328719828 /nfs/dbraw/zinc/71/98/28/1328719828.db2.gz XYRPWVKDANRSNE-CYBMUJFWSA-N 1 0 346.265 3.050 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C(=O)OC)n(C)c2)cc1 ZINC000809541819 1317827107 /nfs/dbraw/zinc/82/71/07/1317827107.db2.gz YPDWNZOCSSPCNH-UHFFFAOYSA-N 1 0 343.471 3.290 20 10 EGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000809654783 1317857077 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COc1ccc(O)c(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c1 ZINC000809774905 1317897923 /nfs/dbraw/zinc/89/79/23/1317897923.db2.gz UNWUKWYSRBLLQX-HOTGVXAUSA-N 1 0 329.440 3.387 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810208893 1317975693 /nfs/dbraw/zinc/97/56/93/1317975693.db2.gz HIPXMWWEZDORAH-WFASDCNBSA-N 1 0 346.393 3.172 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)N(CC)CC)c1ccc(C(F)(F)F)cc1O ZINC000810213447 1317977209 /nfs/dbraw/zinc/97/72/09/1317977209.db2.gz SEFYVRUKXYSESC-ZDUSSCGKSA-N 1 0 332.366 3.320 20 10 EGCDRO CC[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(C(F)(F)F)cc1O ZINC000810240311 1317983749 /nfs/dbraw/zinc/98/37/49/1317983749.db2.gz VABOHLIZKDLYLR-ZDUSSCGKSA-N 1 0 335.366 3.239 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)c(OC)n1 ZINC000810260153 1317989721 /nfs/dbraw/zinc/98/97/21/1317989721.db2.gz GHWZMMBGGFFFDR-GXFFZTMASA-N 1 0 332.375 3.282 20 10 EGCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000811599599 1318209012 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20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CO)C2CCCCC2)c1O ZINC000816650191 1319200612 /nfs/dbraw/zinc/20/06/12/1319200612.db2.gz XJLMBSHJTIYYKS-CQSZACIVSA-N 1 0 327.852 3.333 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCO)CC3)cc2)CC1 ZINC000817296043 1319318691 /nfs/dbraw/zinc/31/86/91/1319318691.db2.gz DACPKYQZLWGGDQ-GOSISDBHSA-N 1 0 346.515 3.286 20 10 EGCDRO C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000817890872 1319453133 /nfs/dbraw/zinc/45/31/33/1319453133.db2.gz ATTAFCCPJARZEH-ONGXBYRLSA-N 1 0 337.467 3.319 20 10 EGCDRO COc1cc(C)ccc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937976 1319464342 /nfs/dbraw/zinc/46/43/42/1319464342.db2.gz AVJBJCYIEPTHSZ-DNVCBOLYSA-N 1 0 327.472 3.420 20 10 EGCDRO COc1ccc(C)cc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939100 1319467133 /nfs/dbraw/zinc/46/71/33/1319467133.db2.gz YWVUXMIWZXWCRF-BEFAXECRSA-N 1 0 327.472 3.420 20 10 EGCDRO CCc1nc2c(s1)[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)CCC2 ZINC000817939322 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20 10 EGCDRO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000818005569 1319489130 /nfs/dbraw/zinc/48/91/30/1319489130.db2.gz RZPBQVCQANUCLO-GOSISDBHSA-N 1 0 329.419 3.043 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(OC)c(F)c3)C2)cc1 ZINC000818220846 1319521411 /nfs/dbraw/zinc/52/14/11/1319521411.db2.gz MZOXVIJUNGPKHQ-MRXNPFEDSA-N 1 0 344.430 3.459 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)cc(C[NH3+])c2)c1 ZINC000818633009 1319573307 /nfs/dbraw/zinc/57/33/07/1319573307.db2.gz BGFMJKMJLYSWCO-LBPRGKRZSA-N 1 0 329.400 3.051 20 10 EGCDRO O=C(CC[NH2+]Cc1ccc2c(c1)CCO2)Nc1ccc(Cl)cc1 ZINC000818996548 1319610551 /nfs/dbraw/zinc/61/05/51/1319610551.db2.gz IAGKOTHGJVCIMS-UHFFFAOYSA-N 1 0 330.815 3.393 20 10 EGCDRO O[C@H](C[NH2+]CCCSc1nccs1)c1ccc(F)cc1F ZINC000819062703 1319625399 /nfs/dbraw/zinc/62/53/99/1319625399.db2.gz HVWPDHYQQUTFOM-CYBMUJFWSA-N 1 0 330.425 3.227 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3ccc(C)cc3)C2)cc1 ZINC000819379152 1319713339 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CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824561554 1320265301 /nfs/dbraw/zinc/26/53/01/1320265301.db2.gz ZKZTZFOPAZYAAQ-UHFFFAOYSA-N 1 0 338.879 3.482 20 10 EGCDRO Oc1c(C[NH+]2CCN(c3ccnc(F)c3)CC2)ccc2ccccc21 ZINC000824810402 1320286611 /nfs/dbraw/zinc/28/66/11/1320286611.db2.gz IWKWUJQJSBQIHV-UHFFFAOYSA-N 1 0 337.398 3.402 20 10 EGCDRO Oc1cc(Br)ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000824855671 1320291788 /nfs/dbraw/zinc/29/17/88/1320291788.db2.gz OGRABCQRZIGRLJ-CYBMUJFWSA-N 1 0 339.277 3.072 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c(O)c1 ZINC000824947836 1320298619 /nfs/dbraw/zinc/29/86/19/1320298619.db2.gz MEKGUNNFEBUYAK-VQIMIIECSA-N 1 0 328.412 3.196 20 10 EGCDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000825046046 1320305902 /nfs/dbraw/zinc/30/59/02/1320305902.db2.gz OXMACJUCPDYAQY-VQIMIIECSA-N 1 0 337.423 3.289 20 10 EGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825299830 1320326030 /nfs/dbraw/zinc/32/60/30/1320326030.db2.gz PNEJUXJWUHUMNK-IEBWSBKVSA-N 1 0 336.451 3.100 20 10 EGCDRO OC[C@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000825325125 1320327271 /nfs/dbraw/zinc/32/72/71/1320327271.db2.gz APTWYCSTOSQRHB-AWEZNQCLSA-N 1 0 336.229 3.020 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1Br ZINC000825337155 1320329173 /nfs/dbraw/zinc/32/91/73/1320329173.db2.gz DCKHKCRICAQOTL-INIZCTEOSA-N 1 0 348.240 3.207 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000825370716 1320332874 /nfs/dbraw/zinc/33/28/74/1320332874.db2.gz PQJBQWGJGTZQFF-KRWDZBQOSA-N 1 0 348.240 3.078 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000825527061 1320345013 /nfs/dbraw/zinc/34/50/13/1320345013.db2.gz ZDYFQMUUVNENAM-DZGCQCFKSA-N 1 0 326.234 3.202 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1Cl ZINC000825753348 1320360400 /nfs/dbraw/zinc/36/04/00/1320360400.db2.gz QMHIFAPVKYMGJF-CXAGYDPISA-N 1 0 325.836 3.124 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000825922372 1320371516 /nfs/dbraw/zinc/37/15/16/1320371516.db2.gz QIXWNQWZDLQJIM-OAHLLOKOSA-N 1 0 336.229 3.368 20 10 EGCDRO COc1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934840 1320372110 /nfs/dbraw/zinc/37/21/10/1320372110.db2.gz LKCTZPRLGBWOAD-KBXCAEBGSA-N 1 0 334.504 3.470 20 10 EGCDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826017876 1320378791 /nfs/dbraw/zinc/37/87/91/1320378791.db2.gz XRSOQEFQBOCKFD-MRXNPFEDSA-N 1 0 342.277 3.385 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)CCC2CC[NH2+]CC2)cc1 ZINC000826019661 1320378720 /nfs/dbraw/zinc/37/87/20/1320378720.db2.gz IQKGRLOJGRLUJF-UHFFFAOYSA-N 1 0 331.504 3.271 20 10 EGCDRO [NH3+][C@H](CCC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000827004767 1320420061 /nfs/dbraw/zinc/42/00/61/1320420061.db2.gz NWMQZHKNOFYDNF-HXUWFJFHSA-N 1 0 337.467 3.383 20 10 EGCDRO COC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827360302 1320447776 /nfs/dbraw/zinc/44/77/76/1320447776.db2.gz FNQCSBHNLWUYBG-UHFFFAOYSA-N 1 0 330.472 3.370 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CC(Cc3ccc(F)c(F)c3)C1)OCO2 ZINC000839146090 1320880065 /nfs/dbraw/zinc/88/00/65/1320880065.db2.gz ZVYIDURHRNGFPL-UHFFFAOYSA-N 1 0 333.334 3.074 20 10 EGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920682 1320996293 /nfs/dbraw/zinc/99/62/93/1320996293.db2.gz SDWXQYAVZTXBPL-HZPDHXFCSA-N 1 0 333.520 3.275 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1cc2n(n1)CCC2 ZINC000840718476 1321133406 /nfs/dbraw/zinc/13/34/06/1321133406.db2.gz YTRXHIRNZRWGGP-HZPDHXFCSA-N 1 0 340.471 3.078 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc2n(n1)CCC2 ZINC000840718478 1321133679 /nfs/dbraw/zinc/13/36/79/1321133679.db2.gz YTRXHIRNZRWGGP-JKSUJKDBSA-N 1 0 340.471 3.078 20 10 EGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840757880 1321143063 /nfs/dbraw/zinc/14/30/63/1321143063.db2.gz CYZXACYEBPACOQ-AWEZNQCLSA-N 1 0 347.409 3.356 20 10 EGCDRO COC1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000840793429 1321149510 /nfs/dbraw/zinc/14/95/10/1321149510.db2.gz PKPPQTPDKCHLPP-ODIFPOPNSA-N 1 0 336.451 3.271 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000840828016 1321157673 /nfs/dbraw/zinc/15/76/73/1321157673.db2.gz OASKPNDXSXQFKJ-FUHWJXTLSA-N 1 0 329.488 3.244 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840863009 1321164574 /nfs/dbraw/zinc/16/45/74/1321164574.db2.gz DMKBLDRYOMMLOX-HOCLYGCPSA-N 1 0 328.412 3.472 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)c1O ZINC000840875062 1321167292 /nfs/dbraw/zinc/16/72/92/1321167292.db2.gz CDCPQXCNKXBGHZ-NSHDSACASA-N 1 0 333.881 3.218 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1 ZINC000840893309 1321171751 /nfs/dbraw/zinc/17/17/51/1321171751.db2.gz MMYSFYXNTGANOM-OAHLLOKOSA-N 1 0 338.517 3.008 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000840892534 1321171926 /nfs/dbraw/zinc/17/19/26/1321171926.db2.gz ALXOTIYMZYWPMF-BEFAXECRSA-N 1 0 326.488 3.393 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000840940882 1321181626 /nfs/dbraw/zinc/18/16/26/1321181626.db2.gz NCSZVBXOEMDZDR-UHFFFAOYSA-N 1 0 343.431 3.003 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000840950710 1321184594 /nfs/dbraw/zinc/18/45/94/1321184594.db2.gz NDMUZWGLEDBQEG-AZUAARDMSA-N 1 0 325.456 3.466 20 10 EGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000840960951 1321187371 /nfs/dbraw/zinc/18/73/71/1321187371.db2.gz OKSUSYLPFNFVFI-BONVTDFDSA-N 1 0 328.250 3.448 20 10 EGCDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc(N)cc2)c1C ZINC000841033756 1321205175 /nfs/dbraw/zinc/20/51/75/1321205175.db2.gz AKHZHZFAJUVRNU-HNNXBMFYSA-N 1 0 325.456 3.435 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc3cc(F)ccc3o2)cc1 ZINC000841044711 1321208206 /nfs/dbraw/zinc/20/82/06/1321208206.db2.gz XRTLJGDQAQOARF-SFHVURJKSA-N 1 0 327.403 3.428 20 10 EGCDRO CN(C)c1ccc(CN[C@H](CC[NH3+])C(F)(F)F)c(C(F)(F)F)c1 ZINC000841091619 1321217230 /nfs/dbraw/zinc/21/72/30/1321217230.db2.gz BYXNGNCCQHDWGD-GFCCVEGCSA-N 1 0 343.315 3.141 20 10 EGCDRO CCc1ccc([C@H](CNC(=O)Nc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000841301646 1321250093 /nfs/dbraw/zinc/25/00/93/1321250093.db2.gz BVHLGOHFRSJVJQ-SFHVURJKSA-N 1 0 326.444 3.256 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000841305755 1321251942 /nfs/dbraw/zinc/25/19/42/1321251942.db2.gz ZJOUTRDWEMBEBN-UHFFFAOYSA-N 1 0 326.444 3.313 20 10 EGCDRO CN(c1ccc(CNC(=O)NCC2([NH3+])CCC2)cc1)C1CCCCC1 ZINC000841749091 1321306523 /nfs/dbraw/zinc/30/65/23/1321306523.db2.gz BSZHXIFELKLPFD-UHFFFAOYSA-N 1 0 344.503 3.136 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841925537 1321330158 /nfs/dbraw/zinc/33/01/58/1321330158.db2.gz FUXBVNLOEUUILM-HZPDHXFCSA-N 1 0 333.476 3.092 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841988238 1321333496 /nfs/dbraw/zinc/33/34/96/1321333496.db2.gz TWBQWAARWIKTQP-IBGZPJMESA-N 1 0 346.519 3.190 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1O ZINC000842473456 1321393116 /nfs/dbraw/zinc/39/31/16/1321393116.db2.gz KVCFBFZVRLXRLZ-DLBZAZTESA-N 1 0 336.863 3.355 20 10 EGCDRO CC[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843050177 1321460881 /nfs/dbraw/zinc/46/08/81/1321460881.db2.gz ALQCOKMGPWRAMK-DLBZAZTESA-N 1 0 346.475 3.144 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000843119311 1321473015 /nfs/dbraw/zinc/47/30/15/1321473015.db2.gz XUJQMERAZQMWSU-INIZCTEOSA-N 1 0 339.277 3.039 20 10 EGCDRO CCOc1ccc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c(O)c1 ZINC000843119972 1321473064 /nfs/dbraw/zinc/47/30/64/1321473064.db2.gz YNAPWIYOECNPNX-SFHVURJKSA-N 1 0 330.403 3.077 20 10 EGCDRO CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000843991447 1321564633 /nfs/dbraw/zinc/56/46/33/1321564633.db2.gz KAEUYCAFHXYRPZ-QGZVFWFLSA-N 1 0 340.471 3.045 20 10 EGCDRO COC1CCN(c2ccc(C[NH+]3CCC([C@H](C)CO)CC3)cc2)CC1 ZINC000844416172 1321603964 /nfs/dbraw/zinc/60/39/64/1321603964.db2.gz JQPGWYPNRNXZQI-QGZVFWFLSA-N 1 0 346.515 3.142 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1O ZINC000846142102 1321770658 /nfs/dbraw/zinc/77/06/58/1321770658.db2.gz XEIKVLJUIVHRTL-GUYCJALGSA-N 1 0 332.419 3.493 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1O ZINC000846142100 1321770712 /nfs/dbraw/zinc/77/07/12/1321770712.db2.gz XEIKVLJUIVHRTL-CXAGYDPISA-N 1 0 332.419 3.493 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)N2CCc3ccccc3C2)c1O ZINC000846144654 1321771183 /nfs/dbraw/zinc/77/11/83/1321771183.db2.gz MSPAKVZCPOSNST-HOTGVXAUSA-N 1 0 340.467 3.498 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COc3c(cccc3OC)C2)c1O ZINC000846146458 1321771600 /nfs/dbraw/zinc/77/16/00/1321771600.db2.gz QTSQFKZJOCJYDV-OCCSQVGLSA-N 1 0 329.396 3.064 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3ccccc3n2)cc1 ZINC000846211592 1321776326 /nfs/dbraw/zinc/77/63/26/1321776326.db2.gz DXNLHZASSNOBCD-OAHLLOKOSA-N 1 0 336.439 3.001 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)cc1 ZINC000847027144 1321834817 /nfs/dbraw/zinc/83/48/17/1321834817.db2.gz NDZYHAXCBNBOGY-UHFFFAOYSA-N 1 0 340.471 3.285 20 10 EGCDRO O=C(NCc1cc(Cl)ccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848242323 1321946122 /nfs/dbraw/zinc/94/61/22/1321946122.db2.gz CCHUKRUXHKREAG-HNNXBMFYSA-N 1 0 344.842 3.184 20 10 EGCDRO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848527128 1321968892 /nfs/dbraw/zinc/96/88/92/1321968892.db2.gz SLKUBLKEXZCVDE-GOEBONIOSA-N 1 0 326.444 3.033 20 10 EGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000848531964 1321971263 /nfs/dbraw/zinc/97/12/63/1321971263.db2.gz YJGCZCAKYLIHSW-ZWKOPEQDSA-N 1 0 344.249 3.117 20 10 EGCDRO CCc1cccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1O ZINC000848903350 1322040682 /nfs/dbraw/zinc/04/06/82/1322040682.db2.gz QJACLXWZTGWVIL-AWEZNQCLSA-N 1 0 331.485 3.290 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](CN(C)C)c2ccc(OC)cc2)c1O ZINC000848911645 1322042931 /nfs/dbraw/zinc/04/29/31/1322042931.db2.gz WXLMUPUGUVKPRM-LJQANCHMSA-N 1 0 328.456 3.356 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c1O ZINC000848915557 1322045020 /nfs/dbraw/zinc/04/50/20/1322045020.db2.gz XLYQQTFTNFEHBR-FGTMMUONSA-N 1 0 343.471 3.438 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000848926707 1322047205 /nfs/dbraw/zinc/04/72/05/1322047205.db2.gz WSOAPRDVCOHPMT-SNVBAGLBSA-N 1 0 329.824 3.122 20 10 EGCDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000848927203 1322047419 /nfs/dbraw/zinc/04/74/19/1322047419.db2.gz BUKSIWJZOPQOEQ-AWEZNQCLSA-N 1 0 345.395 3.031 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)c(O)c1 ZINC000849349672 1322115737 /nfs/dbraw/zinc/11/57/37/1322115737.db2.gz HNWJQIOGTLWDOP-RTBURBONSA-N 1 0 344.430 3.165 20 10 EGCDRO COc1cc(C[NH2+]CCC(=O)N2CCCCC2)c(O)c(C(C)(C)C)c1 ZINC000850034849 1322186808 /nfs/dbraw/zinc/18/68/08/1322186808.db2.gz RVQZBPDWLCTPMY-UHFFFAOYSA-N 1 0 348.487 3.191 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCN(CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850128782 1322195485 /nfs/dbraw/zinc/19/54/85/1322195485.db2.gz JHWOMZIPHNZRHA-MRXNPFEDSA-N 1 0 332.488 3.272 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cncc(Br)c2C)c1 ZINC000850137676 1322197338 /nfs/dbraw/zinc/19/73/38/1322197338.db2.gz UACUMPYTUGTLDN-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000850327450 1322229533 /nfs/dbraw/zinc/22/95/33/1322229533.db2.gz FKOUEVZBESJKJP-CYBMUJFWSA-N 1 0 342.430 3.127 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@]1(O)CCCOC1 ZINC000850401374 1322239012 /nfs/dbraw/zinc/23/90/12/1322239012.db2.gz YMGBWBSJYBJQBW-OAQYLSRUSA-N 1 0 346.515 3.334 20 10 EGCDRO CCOC1CCC([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850473580 1322254683 /nfs/dbraw/zinc/25/46/83/1322254683.db2.gz AYTOPORIUMNTCF-ZRZPHAQCSA-N 1 0 332.488 3.459 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)C[NH+](CC)CC)cc1 ZINC000921122305 1322259840 /nfs/dbraw/zinc/25/98/40/1322259840.db2.gz VNXAKISOIJLOBW-KRWDZBQOSA-N 1 0 348.535 3.405 20 10 EGCDRO C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc2ccccc2c1O ZINC000850558572 1322267780 /nfs/dbraw/zinc/26/77/80/1322267780.db2.gz ZZEKANRDFZBFDG-YJBOKZPZSA-N 1 0 340.467 3.449 20 10 EGCDRO c1cc2c(c(C[NH2+]Cc3ccc(N4CCSCC4)cc3)c1)OCC2 ZINC000921550415 1322349354 /nfs/dbraw/zinc/34/93/54/1322349354.db2.gz KHRNDHMCWOOHNI-UHFFFAOYSA-N 1 0 340.492 3.465 20 10 EGCDRO C[C@H]1Cc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2O1 ZINC000921581752 1322357992 /nfs/dbraw/zinc/35/79/92/1322357992.db2.gz NMNQFIKRVXCGFQ-INIZCTEOSA-N 1 0 338.451 3.136 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921685206 1322377748 /nfs/dbraw/zinc/37/77/48/1322377748.db2.gz VLWPCHFDUNIUFM-UHFFFAOYSA-N 1 0 340.423 3.139 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(NC(N)=O)cc1 ZINC000921738564 1322387754 /nfs/dbraw/zinc/38/77/54/1322387754.db2.gz RNDQSJXRMWIDQC-ZDUSSCGKSA-N 1 0 325.412 3.353 20 10 EGCDRO COC(=O)c1ccc(C[NH2+]CCCSc2nccs2)c(F)c1 ZINC000921753381 1322392850 /nfs/dbraw/zinc/39/28/50/1322392850.db2.gz BQNOTMAWUXSKGU-UHFFFAOYSA-N 1 0 340.445 3.341 20 10 EGCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922125801 1322460744 /nfs/dbraw/zinc/46/07/44/1322460744.db2.gz MZGRURDSOILCBV-QHCPKHFHSA-N 1 0 329.465 3.180 20 10 EGCDRO CCOc1ccc(C[NH2+]CCn2nc(C(F)(F)F)cc2C)c(O)c1 ZINC000922429652 1322527548 /nfs/dbraw/zinc/52/75/48/1322527548.db2.gz OJGOTKHGEWMMHC-UHFFFAOYSA-N 1 0 343.349 3.104 20 10 EGCDRO Cc1cc(CC[NH2+][C@@H](C)c2cc(CO)on2)c(C)n1-c1ccccc1 ZINC000924590933 1323066758 /nfs/dbraw/zinc/06/67/58/1323066758.db2.gz YQDJFTXKEAMFTF-HNNXBMFYSA-N 1 0 339.439 3.468 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000851903254 1323111425 /nfs/dbraw/zinc/11/14/25/1323111425.db2.gz WUPUYTVINQJRRN-GJZGRUSLSA-N 1 0 348.487 3.336 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000851903253 1323111933 /nfs/dbraw/zinc/11/19/33/1323111933.db2.gz WUPUYTVINQJRRN-CABCVRRESA-N 1 0 348.487 3.336 20 10 EGCDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000924727326 1323135527 /nfs/dbraw/zinc/13/55/27/1323135527.db2.gz FCFGXWUSDNCKSR-PKOBYXMFSA-N 1 0 343.515 3.303 20 10 EGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760602 1323148230 /nfs/dbraw/zinc/14/82/30/1323148230.db2.gz QGEDFKJTULHDQS-KRWDZBQOSA-N 1 0 339.483 3.011 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)CC3=CCCOC3)cc2)CC1 ZINC000852516476 1323202393 /nfs/dbraw/zinc/20/23/93/1323202393.db2.gz NRNRRCOAAYBDHI-UHFFFAOYSA-N 1 0 330.472 3.080 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CC2CC2)cc1C ZINC001024841260 1323738711 /nfs/dbraw/zinc/73/87/11/1323738711.db2.gz BELVIBZVWLMGNS-GOSISDBHSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C2(C)CC2)cc1C ZINC001024969734 1323804402 /nfs/dbraw/zinc/80/44/02/1323804402.db2.gz DWVHDGLJHLMODN-KRWDZBQOSA-N 1 0 330.472 3.274 20 10 EGCDRO 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HEGBLCZBSMGNGD-UHFFFAOYSA-N 1 0 326.396 3.159 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)cc2C)cc1C ZINC001149687704 1379429446 /nfs/dbraw/zinc/42/94/46/1379429446.db2.gz WMVMXJHHKBETPN-UHFFFAOYSA-N 1 0 326.440 3.140 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)Cc2ccccc2)cc1C ZINC001151842414 1379796578 /nfs/dbraw/zinc/79/65/78/1379796578.db2.gz KMISYTBDNJPAJA-QGZVFWFLSA-N 1 0 340.467 3.088 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cncc3ccccc32)cc1C ZINC001152223444 1379889045 /nfs/dbraw/zinc/88/90/45/1379889045.db2.gz LSTIHIWXNHAMFA-UHFFFAOYSA-N 1 0 349.434 3.071 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC3CCC2CC3)cc1C ZINC001152658837 1379964234 /nfs/dbraw/zinc/96/42/34/1379964234.db2.gz FOKMHCIYCJXJOB-VMWRSERWSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C2C[C@@H](C)C[C@H](C)C2)cc1C ZINC001152763254 1379979215 /nfs/dbraw/zinc/97/92/15/1379979215.db2.gz PFPKAWTYPAIVMX-GJZGRUSLSA-N 1 0 332.488 3.282 20 10 EGCDRO CSc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC001156657195 1380605238 /nfs/dbraw/zinc/60/52/38/1380605238.db2.gz HAWSENZPXSDYEI-UHFFFAOYSA-N 1 0 342.512 3.476 20 10 EGCDRO Cc1cc2ccncc2nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156660100 1380606416 /nfs/dbraw/zinc/60/64/16/1380606416.db2.gz SNTWEHBOADSPMJ-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2(CC(C)C)CC2)cc1C ZINC001159592401 1381840163 /nfs/dbraw/zinc/84/01/63/1381840163.db2.gz HQRDVOILRNWFID-UHFFFAOYSA-N 1 0 332.488 3.426 20 10 EGCDRO Nc1cc(Br)cc2c1N(c1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001160371851 1382086306 /nfs/dbraw/zinc/08/63/06/1382086306.db2.gz JBGOXCGECNIPGG-UHFFFAOYSA-N 1 0 344.256 3.371 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCC(C)(F)F)cc1C ZINC001161189848 1382335358 /nfs/dbraw/zinc/33/53/58/1382335358.db2.gz HQQMALYYJVPLTN-UHFFFAOYSA-N 1 0 328.403 3.035 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ncnc2c1CC[NH2+]C2 ZINC001163487861 1383062801 /nfs/dbraw/zinc/06/28/01/1383062801.db2.gz WFXBYSBRWRQJQD-GOSISDBHSA-N 1 0 338.455 3.180 20 10 EGCDRO CC(C)Oc1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001167370978 1383613423 /nfs/dbraw/zinc/61/34/23/1383613423.db2.gz HWRNCSOPTYZVMP-UHFFFAOYSA-N 1 0 326.440 3.208 20 10 EGCDRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3cccc(O)c3O)CCO2)cc1 ZINC001168608073 1383947521 /nfs/dbraw/zinc/94/75/21/1383947521.db2.gz KFZQMJSMHOPPHZ-MAUKXSAKSA-N 1 0 329.396 3.116 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001168824236 1384020740 /nfs/dbraw/zinc/02/07/40/1384020740.db2.gz NZMPWZAUVXPSCS-GDBMZVCRSA-N 1 0 333.476 3.240 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(NCc2ncn3c2C[NH2+]CCC3)cc1 ZINC001169242596 1384126368 /nfs/dbraw/zinc/12/63/68/1384126368.db2.gz PFTNTCKGSZOOPO-UHFFFAOYSA-N 1 0 335.455 3.396 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169947883 1384202011 /nfs/dbraw/zinc/20/20/11/1384202011.db2.gz GBSFCYJVUNHNIO-LJQANCHMSA-N 1 0 330.472 3.404 20 10 EGCDRO Nc1ccc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC001335725333 1388912252 /nfs/dbraw/zinc/91/22/52/1388912252.db2.gz NIOHLUNDCSSNAM-UHFFFAOYSA-N 1 0 344.503 3.066 20 10 EGCDRO CC1(C)CC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC(C)(C)O1 ZINC001172641384 1384824897 /nfs/dbraw/zinc/82/48/97/1384824897.db2.gz WIGFNKCDOCAFIB-UHFFFAOYSA-N 1 0 332.488 3.349 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173127865 1384919583 /nfs/dbraw/zinc/91/95/83/1384919583.db2.gz DXIXEKYMPUFWSW-NSHDSACASA-N 1 0 339.258 3.258 20 10 EGCDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318338664 1385654618 /nfs/dbraw/zinc/65/46/18/1385654618.db2.gz CBJQBJXZYXKDEQ-MRXNPFEDSA-N 1 0 345.462 3.281 20 10 EGCDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(-c4ccccc4)ccc3O)C2)cn1 ZINC001319950999 1386412860 /nfs/dbraw/zinc/41/28/60/1386412860.db2.gz HAPNOJMOFPCHPZ-LJQANCHMSA-N 1 0 348.450 3.161 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC001320208556 1386558339 /nfs/dbraw/zinc/55/83/39/1386558339.db2.gz KLPRQDXYVPGJPJ-HXUWFJFHSA-N 1 0 337.423 3.404 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC(=O)Nc1ccccn1 ZINC001321026609 1386787240 /nfs/dbraw/zinc/78/72/40/1386787240.db2.gz CFZNAMNHHCMYRD-ZIAGYGMSSA-N 1 0 325.412 3.262 20 10 EGCDRO CC[NH+](CC)C1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001329512947 1389137035 /nfs/dbraw/zinc/13/70/35/1389137035.db2.gz SIIHLXARJSCXDZ-UHFFFAOYSA-N 1 0 325.447 3.337 20 10 EGCDRO Fc1ccc(C2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC001330866915 1389549008 /nfs/dbraw/zinc/54/90/08/1389549008.db2.gz GZPYTDKSJZOFSU-UHFFFAOYSA-N 1 0 326.415 3.262 20 10 EGCDRO Cc1cc(NCc2cc(F)cc(F)c2O)ccc1N1CC[NH+](C)CC1 ZINC001333149757 1390256729 /nfs/dbraw/zinc/25/67/29/1390256729.db2.gz SOGYZHULFIYQCB-UHFFFAOYSA-N 1 0 347.409 3.343 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)cc1 ZINC001341835953 1390535417 /nfs/dbraw/zinc/53/54/17/1390535417.db2.gz DFXYPFLLSMLRIJ-IRXDYDNUSA-N 1 0 331.504 3.442 20 10 EGCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC001334890785 1390614173 /nfs/dbraw/zinc/61/41/73/1390614173.db2.gz MSLYDPHMAKDVBC-CYBMUJFWSA-N 1 0 336.229 3.020 20 10 EGCDRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)cc(OC)c1 ZINC001335285471 1390666765 /nfs/dbraw/zinc/66/67/65/1390666765.db2.gz OBQDURWBYGWJRQ-KRWDZBQOSA-N 1 0 341.455 3.363 20 10 EGCDRO C[NH2+][C@@H](C)CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001345141775 1390840962 /nfs/dbraw/zinc/84/09/62/1390840962.db2.gz MZZZGEJAMGERTP-HNNXBMFYSA-N 1 0 333.476 3.235 20 10 EGCDRO Nc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC001345159465 1390842351 /nfs/dbraw/zinc/84/23/51/1390842351.db2.gz HBSARTPAGBERDD-UHFFFAOYSA-N 1 0 341.274 3.087 20 10 EGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)s1 ZINC001348550420 1391236011 /nfs/dbraw/zinc/23/60/11/1391236011.db2.gz UTDDEYGZMXLYPS-CYBMUJFWSA-N 1 0 348.491 3.193 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCc2ccc(Cl)nc2)cc1F ZINC001351314437 1391625194 /nfs/dbraw/zinc/62/51/94/1391625194.db2.gz GOOFZLZIDZOOIY-UHFFFAOYSA-N 1 0 325.790 3.412 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC001353355136 1391995313 /nfs/dbraw/zinc/99/53/13/1391995313.db2.gz VYSZIJZHWRLFAL-DNVCBOLYSA-N 1 0 346.519 3.110 20 10 EGCDRO CC[C@@H](CNC(=O)c1cccn1CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753495868 1440421419 /nfs/dbraw/zinc/42/14/19/1440421419.db2.gz ZZOFFDJSBZDPKP-KRWDZBQOSA-N 1 0 343.471 3.123 20 10 EGCDRO CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001753787164 1440488288 /nfs/dbraw/zinc/48/82/88/1440488288.db2.gz BWNSVZJMTRSCDZ-MRXNPFEDSA-N 1 0 345.447 3.232 20 10 EGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccc(C)o2)C(C)C)cc1C ZINC001753822315 1440496721 /nfs/dbraw/zinc/49/67/21/1440496721.db2.gz GQBCMPVUTSHRNC-QGZVFWFLSA-N 1 0 344.455 3.449 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2CC(C)(C)C2)cc1C ZINC001753962797 1440526288 /nfs/dbraw/zinc/52/62/88/1440526288.db2.gz YGLMFEJKNVQYAS-HNNXBMFYSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)c2cccs2)cc1C ZINC001754244661 1440556492 /nfs/dbraw/zinc/55/64/92/1440556492.db2.gz IVYCYCAPPXNVAZ-HUUCEWRRSA-N 1 0 346.496 3.463 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H]3C=CCCC3)CC2)cc1C ZINC001754518132 1440619070 /nfs/dbraw/zinc/61/90/70/1440619070.db2.gz MRYZDOWORBJIQV-QGZVFWFLSA-N 1 0 342.483 3.488 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2C[C@H]2C2CC2)cc1C ZINC001755596740 1440882778 /nfs/dbraw/zinc/88/27/78/1440882778.db2.gz MNOBUKHHSGIHHJ-SNRMKQJTSA-N 1 0 344.499 3.376 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826268851 947776729 /nfs/dbraw/zinc/77/67/29/947776729.db2.gz PYMMWHOECXYNLM-CQSZACIVSA-N 1 0 336.443 3.092 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000835075553 1126111591 /nfs/dbraw/zinc/11/15/91/1126111591.db2.gz YGUQJEKIBJYHSB-SFHVURJKSA-N 1 0 329.440 3.101 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007114471 453033885 /nfs/dbraw/zinc/03/38/85/453033885.db2.gz RKCQADXIGYPNPS-INIZCTEOSA-N 1 0 325.456 3.062 20 10 EGCDRO Cc1cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c(C)n1-c1ccccn1 ZINC000068779673 454052459 /nfs/dbraw/zinc/05/24/59/454052459.db2.gz GWAZEPPVCXKKPG-UHFFFAOYSA-N 1 0 340.471 3.045 20 10 EGCDRO CCC1(C[NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000266622463 455431999 /nfs/dbraw/zinc/43/19/99/455431999.db2.gz LVNWSGMGFRREOX-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000121287504 454416132 /nfs/dbraw/zinc/41/61/32/454416132.db2.gz MAGRLXSNKGGNTG-UHFFFAOYSA-N 1 0 326.440 3.169 20 10 EGCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092538142 454583106 /nfs/dbraw/zinc/58/31/06/454583106.db2.gz SNQTWDGDABMBPN-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000123212760 454615230 /nfs/dbraw/zinc/61/52/30/454615230.db2.gz ZQXAJOOEZSSHOJ-LJHODMEESA-N 1 0 336.451 3.271 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccnc1 ZINC000092740578 454622622 /nfs/dbraw/zinc/62/26/22/454622622.db2.gz SZSPFTVDVKFKKY-AWEZNQCLSA-N 1 0 329.419 3.033 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)c1O ZINC000106481596 454696698 /nfs/dbraw/zinc/69/66/98/454696698.db2.gz FWRQEXLOXUYIAI-CYBMUJFWSA-N 1 0 331.412 3.139 20 10 EGCDRO COc1cccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1O ZINC000093389218 454711311 /nfs/dbraw/zinc/71/13/11/454711311.db2.gz IYAJFXRUPZJQKS-SFHVURJKSA-N 1 0 327.424 3.273 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N2CCOCC2)c(F)c1 ZINC000125081403 454795435 /nfs/dbraw/zinc/79/54/35/454795435.db2.gz JRINUTZWQQUSCK-GNUPYSACSA-N 1 0 348.462 3.271 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cc(F)ccc1O ZINC000184894481 455468889 /nfs/dbraw/zinc/46/88/89/455468889.db2.gz HBGGOIAMFPJHHY-OAHLLOKOSA-N 1 0 344.430 3.214 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2O)cc1F ZINC000184981937 455481657 /nfs/dbraw/zinc/48/16/57/455481657.db2.gz LVOMCAIQVQVOGE-GFCCVEGCSA-N 1 0 334.366 3.059 20 10 EGCDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)C2CC2)c1 ZINC000154295307 454882085 /nfs/dbraw/zinc/88/20/85/454882085.db2.gz YWQFEZRFSRIUPO-UHFFFAOYSA-N 1 0 342.351 3.194 20 10 EGCDRO Cc1ncc(/C=C/C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)s1 ZINC000112237117 454883381 /nfs/dbraw/zinc/88/33/81/454883381.db2.gz KXMVLSJDCDQUPO-FDMDGMSGSA-N 1 0 339.464 3.476 20 10 EGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000126395716 454891205 /nfs/dbraw/zinc/89/12/05/454891205.db2.gz OTMOXGRJLNWRAM-NVXWUHKLSA-N 1 0 347.478 3.478 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000167907013 454924046 /nfs/dbraw/zinc/92/40/46/454924046.db2.gz NHZWVUCVLSZFOC-LSDHHAIUSA-N 1 0 326.893 3.105 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000178689424 454967801 /nfs/dbraw/zinc/96/78/01/454967801.db2.gz QSJMCKQQYVZNIN-LJQANCHMSA-N 1 0 325.456 3.353 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1O ZINC000155235349 454977432 /nfs/dbraw/zinc/97/74/32/454977432.db2.gz SSHLHIAVQCQAJK-KRWDZBQOSA-N 1 0 333.453 3.178 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cc(Br)ccc1O ZINC000127964912 455013788 /nfs/dbraw/zinc/01/37/88/455013788.db2.gz ZTCJCNUBDGEGIT-KPGGICDASA-N 1 0 348.306 3.353 20 10 EGCDRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179563209 455058693 /nfs/dbraw/zinc/05/86/93/455058693.db2.gz JDICVXBDGOHDKB-UHFFFAOYSA-N 1 0 325.412 3.178 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1O ZINC000179851169 455088905 /nfs/dbraw/zinc/08/89/05/455088905.db2.gz SWEHHBCYBNTPNL-UHFFFAOYSA-N 1 0 330.453 3.157 20 10 EGCDRO CCc1cc(N2CCC([NH2+][C@H](CC)c3ccccc3O)CC2)ncn1 ZINC000156211751 455093214 /nfs/dbraw/zinc/09/32/14/455093214.db2.gz WQUUWVXHKMBMBO-GOSISDBHSA-N 1 0 340.471 3.454 20 10 EGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1C ZINC000171801903 455095418 /nfs/dbraw/zinc/09/54/18/455095418.db2.gz IEIXJBYGELKVMI-UHFFFAOYSA-N 1 0 340.467 3.478 20 10 EGCDRO CCOC[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180621830 455211687 /nfs/dbraw/zinc/21/16/87/455211687.db2.gz SIMHWFAAJHKIBR-LBPRGKRZSA-N 1 0 328.250 3.322 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccccc1O ZINC000183446061 455294082 /nfs/dbraw/zinc/29/40/82/455294082.db2.gz WXOCVBGHQOLNHX-IFXJQAMLSA-N 1 0 340.423 3.361 20 10 EGCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000158568652 455313881 /nfs/dbraw/zinc/31/38/81/455313881.db2.gz FTCJUZVFRBFKOF-HUUCEWRRSA-N 1 0 333.453 3.214 20 10 EGCDRO COc1cccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c1O ZINC000184248381 455365901 /nfs/dbraw/zinc/36/59/01/455365901.db2.gz VFRAIOSSQHBDFV-GOSISDBHSA-N 1 0 327.424 3.234 20 10 EGCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)cc1 ZINC000160064825 455425297 /nfs/dbraw/zinc/42/52/97/455425297.db2.gz UOWWPAPRPWZWGJ-HNNXBMFYSA-N 1 0 343.423 3.408 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1 ZINC000182478985 455522289 /nfs/dbraw/zinc/52/22/89/455522289.db2.gz HGNKONNDHPFXFN-UHFFFAOYSA-N 1 0 331.387 3.335 20 10 EGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185277178 455532911 /nfs/dbraw/zinc/53/29/11/455532911.db2.gz PVLKMHDYMQFVSX-VIFPVBQESA-N 1 0 338.249 3.356 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000185321641 455539350 /nfs/dbraw/zinc/53/93/50/455539350.db2.gz YBVWDTBIAKFTLL-CQSZACIVSA-N 1 0 344.459 3.002 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000185321624 455539557 /nfs/dbraw/zinc/53/95/57/455539557.db2.gz YBVWDTBIAKFTLL-AWEZNQCLSA-N 1 0 344.459 3.002 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c(O)c1 ZINC000185498746 455568673 /nfs/dbraw/zinc/56/86/73/455568673.db2.gz AKNIRBCCTPBBKU-NSHDSACASA-N 1 0 340.349 3.272 20 10 EGCDRO COc1ccc(N(C[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C2CC2)cc1 ZINC000283966270 455616832 /nfs/dbraw/zinc/61/68/32/455616832.db2.gz FCHOORBUOAEHKV-CABCVRRESA-N 1 0 337.485 3.125 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c(O)c1 ZINC000284076800 455632479 /nfs/dbraw/zinc/63/24/79/455632479.db2.gz LQMDHUXLSWSXRT-MRXNPFEDSA-N 1 0 341.455 3.091 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000192709361 455674587 /nfs/dbraw/zinc/67/45/87/455674587.db2.gz BHMDSCRYNRQYDN-CQSZACIVSA-N 1 0 327.428 3.115 20 10 EGCDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2)ncn1 ZINC000186023478 455677694 /nfs/dbraw/zinc/67/76/94/455677694.db2.gz FTIIVIMCWHLEBX-DOTOQJQBSA-N 1 0 340.471 3.373 20 10 EGCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc2ccccc2c1O ZINC000186089934 455691020 /nfs/dbraw/zinc/69/10/20/455691020.db2.gz AHUCAZOCDUYAPG-CYBMUJFWSA-N 1 0 333.453 3.021 20 10 EGCDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000293261799 455780655 /nfs/dbraw/zinc/78/06/55/455780655.db2.gz BZGTZROMSBFSTL-GFCCVEGCSA-N 1 0 328.378 3.358 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1N(C)C ZINC000293470169 455788009 /nfs/dbraw/zinc/78/80/09/455788009.db2.gz DZRCWKULTCUHRW-GJZGRUSLSA-N 1 0 330.394 3.054 20 10 EGCDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000269147708 455798671 /nfs/dbraw/zinc/79/86/71/455798671.db2.gz HYOPHFRSPLXFEV-UHFFFAOYSA-N 1 0 339.483 3.473 20 10 EGCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293870600 455799241 /nfs/dbraw/zinc/79/92/41/455799241.db2.gz UXRDVQQDLLOCOZ-YJBOKZPZSA-N 1 0 326.440 3.180 20 10 EGCDRO Cc1cc(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)ccc1N(C)C ZINC000294121772 455805915 /nfs/dbraw/zinc/80/59/15/455805915.db2.gz NLCXDOGTXZOBHV-IBGZPJMESA-N 1 0 325.456 3.110 20 10 EGCDRO C[C@H](C[S@](C)=O)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294444925 455815669 /nfs/dbraw/zinc/81/56/69/455815669.db2.gz VJLXWBDXTPCHGV-YLEKAMJDSA-N 1 0 331.481 3.423 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c(O)c1 ZINC000285302452 455820708 /nfs/dbraw/zinc/82/07/08/455820708.db2.gz SCHAHCZKVAWNRH-OAHLLOKOSA-N 1 0 326.444 3.119 20 10 EGCDRO COC1CCN(c2ccc(CN3CCC([NH2+]C(C)C)CC3)cc2)CC1 ZINC000294847198 455829687 /nfs/dbraw/zinc/82/96/87/455829687.db2.gz BRTBODYLRJUJJR-UHFFFAOYSA-N 1 0 345.531 3.264 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000294883633 455831232 /nfs/dbraw/zinc/83/12/32/455831232.db2.gz ALQRRMUUGSVQPZ-SFTDATJTSA-N 1 0 344.499 3.445 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)c(O)c1 ZINC000294957902 455833534 /nfs/dbraw/zinc/83/35/34/455833534.db2.gz YWKNCGAANQLLQJ-INIZCTEOSA-N 1 0 326.440 3.019 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c(O)c1C ZINC000278440148 455836533 /nfs/dbraw/zinc/83/65/33/455836533.db2.gz KIZBWZTTYQBYAG-HOTGVXAUSA-N 1 0 328.460 3.062 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000279092978 455857687 /nfs/dbraw/zinc/85/76/87/455857687.db2.gz NOEQAEXQDYSKIZ-CYBMUJFWSA-N 1 0 339.439 3.475 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)N(C)C)c1 ZINC000295901207 455862139 /nfs/dbraw/zinc/86/21/39/455862139.db2.gz IQNNFBDXYKGCDC-ZWKOTPCHSA-N 1 0 326.440 3.281 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(OC)C3)cc2)CC1 ZINC000295904610 455862230 /nfs/dbraw/zinc/86/22/30/455862230.db2.gz FGVDXXIWZJYZNV-FQEVSTJZSA-N 1 0 332.488 3.303 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3cc(F)ccc3O)n2)c1 ZINC000279595856 455867878 /nfs/dbraw/zinc/86/78/78/455867878.db2.gz VUSYKZNYWJXCGR-NWDGAFQWSA-N 1 0 341.390 3.432 20 10 EGCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC000279577407 455868362 /nfs/dbraw/zinc/86/83/62/455868362.db2.gz BCBBYDRFULEIOA-YLJYHZDGSA-N 1 0 330.472 3.057 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(O)CC2)c1O ZINC000279623370 455869194 /nfs/dbraw/zinc/86/91/94/455869194.db2.gz HDZVIJBMGYBGBB-HNNXBMFYSA-N 1 0 328.250 3.200 20 10 EGCDRO C[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1O ZINC000279928217 455878135 /nfs/dbraw/zinc/87/81/35/455878135.db2.gz ANBOXIFVFCXSNV-GFCCVEGCSA-N 1 0 338.249 3.482 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@]3(C)CCCO)cc2)CC1 ZINC000296200944 455878875 /nfs/dbraw/zinc/87/88/75/455878875.db2.gz FIJKYNBODNTYDS-OAQYLSRUSA-N 1 0 346.515 3.429 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(C)cc1O ZINC000280079123 455886381 /nfs/dbraw/zinc/88/63/81/455886381.db2.gz LQBUHNFTJMVCFJ-QGZVFWFLSA-N 1 0 326.444 3.200 20 10 EGCDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296624445 455992964 /nfs/dbraw/zinc/99/29/64/455992964.db2.gz ZLNOTOHPTPIFCE-SJORKVTESA-N 1 0 337.423 3.276 20 10 EGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296690716 456010805 /nfs/dbraw/zinc/01/08/05/456010805.db2.gz HDKVKMDVPPAWKP-WBVHZDCISA-N 1 0 345.464 3.222 20 10 EGCDRO O=C1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CN1Cc1ccccc1 ZINC000296736107 456023660 /nfs/dbraw/zinc/02/36/60/456023660.db2.gz JCORPTOSEUAPDX-FUHWJXTLSA-N 1 0 336.435 3.018 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000280689201 456031880 /nfs/dbraw/zinc/03/18/80/456031880.db2.gz VPBDWRDFWFWMAF-HZPDHXFCSA-N 1 0 346.393 3.055 20 10 EGCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296977044 456081294 /nfs/dbraw/zinc/08/12/94/456081294.db2.gz VCNDCMGVSSUDGK-HNNXBMFYSA-N 1 0 345.512 3.341 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](O)c1ccccc1 ZINC000288587452 456100114 /nfs/dbraw/zinc/10/01/14/456100114.db2.gz OJEFRCVESRDOOQ-BZNIZROVSA-N 1 0 336.229 3.366 20 10 EGCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(Br)cc1O ZINC000280987195 456102150 /nfs/dbraw/zinc/10/21/50/456102150.db2.gz JKXHMJWWQIEOBE-DGIBIBHMSA-N 1 0 346.290 3.107 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1O ZINC000289452501 456125115 /nfs/dbraw/zinc/12/51/15/456125115.db2.gz NIACEHZGATXHSW-CYBMUJFWSA-N 1 0 330.384 3.420 20 10 EGCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000297257561 456164586 /nfs/dbraw/zinc/16/45/86/456164586.db2.gz JSRWIXGDEGWQFF-PWSUYJOCSA-N 1 0 349.349 3.187 20 10 EGCDRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000297346465 456194287 /nfs/dbraw/zinc/19/42/87/456194287.db2.gz OXCZMUVESNIFMZ-LKSINWNRSA-N 1 0 345.892 3.300 20 10 EGCDRO Fc1cncc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000281307245 456196982 /nfs/dbraw/zinc/19/69/82/456196982.db2.gz RPHXLZSLAIRXNZ-HXUWFJFHSA-N 1 0 341.430 3.298 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289967777 456198973 /nfs/dbraw/zinc/19/89/73/456198973.db2.gz VXFJPAHZTIDYCU-ICSRJNTNSA-N 1 0 327.424 3.047 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000273435193 456230118 /nfs/dbraw/zinc/23/01/18/456230118.db2.gz WUAIPJICESAHID-DOTOQJQBSA-N 1 0 326.440 3.326 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c(O)c1C ZINC000273434997 456230327 /nfs/dbraw/zinc/23/03/27/456230327.db2.gz WRXGRQHHBTWEJH-INIZCTEOSA-N 1 0 341.455 3.091 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c(O)c1C ZINC000273464941 456233808 /nfs/dbraw/zinc/23/38/08/456233808.db2.gz DMPGWPMEDLKGHU-HNNXBMFYSA-N 1 0 347.480 3.404 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237218909 456248161 /nfs/dbraw/zinc/24/81/61/456248161.db2.gz QHQJCKMNMOSKDD-FQEVSTJZSA-N 1 0 329.488 3.025 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1F ZINC000274400943 456257807 /nfs/dbraw/zinc/25/78/07/456257807.db2.gz FURHRLZIDLPBOU-UHFFFAOYSA-N 1 0 343.446 3.207 20 10 EGCDRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc2c(cc1O)CCCC2 ZINC000274425227 456258899 /nfs/dbraw/zinc/25/88/99/456258899.db2.gz UUBATUOJMBKVGL-CYBMUJFWSA-N 1 0 343.496 3.467 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)CC2 ZINC000297654424 456270944 /nfs/dbraw/zinc/27/09/44/456270944.db2.gz KHZRERPAMDMIPY-QGZVFWFLSA-N 1 0 342.414 3.145 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000290320582 456290682 /nfs/dbraw/zinc/29/06/82/456290682.db2.gz CYHSZPVKBRXJQL-DOMZBBRYSA-N 1 0 341.293 3.235 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000297869638 456312221 /nfs/dbraw/zinc/31/22/21/456312221.db2.gz UOGVCHSNNGZBRR-YOEHRIQHSA-N 1 0 337.341 3.419 20 10 EGCDRO CC[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)ccc1O ZINC000282328080 456478429 /nfs/dbraw/zinc/47/84/29/456478429.db2.gz NYIZBNSBLWUQOX-BUXKBTBVSA-N 1 0 346.290 3.107 20 10 EGCDRO CC(C)[N@H+](CC(=O)N(C)Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298722686 456526202 /nfs/dbraw/zinc/52/62/02/456526202.db2.gz OZRIISYVXBLXCJ-UHFFFAOYSA-N 1 0 343.471 3.215 20 10 EGCDRO CCSCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000282799026 456629523 /nfs/dbraw/zinc/62/95/23/456629523.db2.gz QQUDEJSRFRFBBF-AWEZNQCLSA-N 1 0 326.481 3.456 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Cl)ccc1O ZINC000277021031 456656229 /nfs/dbraw/zinc/65/62/29/456656229.db2.gz DHEPHCOQDBZIPS-GFCCVEGCSA-N 1 0 332.835 3.155 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000277125151 456689203 /nfs/dbraw/zinc/68/92/03/456689203.db2.gz FWPLKPTYLGXSMI-KRWDZBQOSA-N 1 0 340.471 3.045 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1OC ZINC000362636174 457017859 /nfs/dbraw/zinc/01/78/59/457017859.db2.gz DKWDYMPYTQQHIT-CABCVRRESA-N 1 0 335.444 3.048 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2)cc1 ZINC000363880746 457459435 /nfs/dbraw/zinc/45/94/35/457459435.db2.gz XZTXAKDOTMCXQY-SFHVURJKSA-N 1 0 331.504 3.082 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(C)cc1O ZINC000366420914 457811295 /nfs/dbraw/zinc/81/12/95/457811295.db2.gz XRYIAEJUZHWMAQ-IRXDYDNUSA-N 1 0 329.444 3.008 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(C)cc1O ZINC000366420915 457811671 /nfs/dbraw/zinc/81/16/71/457811671.db2.gz XRYIAEJUZHWMAQ-SJORKVTESA-N 1 0 329.444 3.008 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCCOC2)O1 ZINC000366473101 457820391 /nfs/dbraw/zinc/82/03/91/457820391.db2.gz WEDLOIHVYPVTEI-GHTZIAJQSA-N 1 0 344.499 3.447 20 10 EGCDRO COc1cccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1O ZINC000367353817 457949157 /nfs/dbraw/zinc/94/91/57/457949157.db2.gz NQCYCMMZOSBDFB-UHFFFAOYSA-N 1 0 341.407 3.201 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@H]2CCCO[C@@H]21 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576438520 /nfs/dbraw/zinc/43/85/20/576438520.db2.gz MJPQLYKJGCQEBW-CMDGGOBGSA-N 1 0 339.414 3.363 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCc2nnc3ccccn32)cc1F ZINC000740001835 576530042 /nfs/dbraw/zinc/53/00/42/576530042.db2.gz JRBSEIPUDSAGNG-UHFFFAOYSA-N 1 0 341.434 3.047 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000743372983 576807326 /nfs/dbraw/zinc/80/73/26/576807326.db2.gz IIGGALXFZWYIPF-GOSISDBHSA-N 1 0 346.515 3.295 20 10 EGCDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000745438207 576847997 /nfs/dbraw/zinc/84/79/97/576847997.db2.gz SQHKXAZUOSAHKF-HNNXBMFYSA-N 1 0 343.423 3.472 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1 ZINC000826291830 608532956 /nfs/dbraw/zinc/53/29/56/608532956.db2.gz XUILKWKLIMRMQU-UHFFFAOYSA-N 1 0 337.427 3.291 20 10 EGCDRO C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708089290 1298234717 /nfs/dbraw/zinc/23/47/17/1298234717.db2.gz LBSNFFQDDAOJHJ-UHFFFAOYSA-N 1 0 347.684 3.240 20 10 EGCDRO 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VNABLLHUOSFTPM-RYUDHWBXSA-N 1 0 327.266 3.022 20 10 EGCDRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000827769709 1292370057 /nfs/dbraw/zinc/37/00/57/1292370057.db2.gz SZBWKKQZPLTORE-QZTJIDSGSA-N 1 0 342.414 3.362 20 10 EGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000827844292 1292385897 /nfs/dbraw/zinc/38/58/97/1292385897.db2.gz KFEGLZOUPNZIIG-UHFFFAOYSA-N 1 0 326.843 3.396 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1N1CCCCC1 ZINC000828037013 1292421208 /nfs/dbraw/zinc/42/12/08/1292421208.db2.gz RUBGVTBVZZAWKE-LEWJYISDSA-N 1 0 344.499 3.365 20 10 EGCDRO Cc1cc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)ccc1N1CCCCC1 ZINC000830514326 1292726423 /nfs/dbraw/zinc/72/64/23/1292726423.db2.gz DWOBSSKLOWWZHT-SFHVURJKSA-N 1 0 345.487 3.258 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1F ZINC000093277951 1292913558 /nfs/dbraw/zinc/91/35/58/1292913558.db2.gz VJNIONBVXHDYCI-KRWDZBQOSA-N 1 0 347.478 3.259 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCSC(C)(C)C2)c1O ZINC000093504310 1292922571 /nfs/dbraw/zinc/92/25/71/1292922571.db2.gz YJOXLQSVOWZIAH-UHFFFAOYSA-N 1 0 346.290 3.491 20 10 EGCDRO CC(C)[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832266644 1292978113 /nfs/dbraw/zinc/97/81/13/1292978113.db2.gz HRMXXYCYGVPLQZ-PMACEKPBSA-N 1 0 339.483 3.308 20 10 EGCDRO COC(=O)[C@H](C)C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1 ZINC000102653005 1292979562 /nfs/dbraw/zinc/97/95/62/1292979562.db2.gz WZMZTJFOJGALQJ-GFCCVEGCSA-N 1 0 335.444 3.169 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C3CCC3)cc2)cc1 ZINC000832286062 1292982314 /nfs/dbraw/zinc/98/23/14/1292982314.db2.gz VVQYEHPGKKYGKL-FQEVSTJZSA-N 1 0 337.467 3.450 20 10 EGCDRO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000834315323 1293075980 /nfs/dbraw/zinc/07/59/80/1293075980.db2.gz ZYCZKFWBVXIXAB-BEFAXECRSA-N 1 0 341.430 3.009 20 10 EGCDRO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccccc1O ZINC000111235475 1293101776 /nfs/dbraw/zinc/10/17/76/1293101776.db2.gz UEZPHSFNKBBMJW-KRWDZBQOSA-N 1 0 328.412 3.250 20 10 EGCDRO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000834535013 1293112866 /nfs/dbraw/zinc/11/28/66/1293112866.db2.gz XJTHCDFHYSXPEP-CVEARBPZSA-N 1 0 328.460 3.151 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)CC2 ZINC000834689833 1293132725 /nfs/dbraw/zinc/13/27/25/1293132725.db2.gz SYLPCQYPSXKFEP-ZDUSSCGKSA-N 1 0 338.329 3.462 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]Cc1sccc1Br)OCO2 ZINC000112838206 1293135112 /nfs/dbraw/zinc/13/51/12/1293135112.db2.gz DQEZYAYPQHPYJV-UHFFFAOYSA-N 1 0 342.214 3.235 20 10 EGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834774825 1293145540 /nfs/dbraw/zinc/14/55/40/1293145540.db2.gz RSNQACTVGZJBKW-CJNGLKHVSA-N 1 0 332.444 3.226 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC000834883966 1293163638 /nfs/dbraw/zinc/16/36/38/1293163638.db2.gz SWDPZRNOJPSHDI-AWEZNQCLSA-N 1 0 333.453 3.263 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000834898595 1293169112 /nfs/dbraw/zinc/16/91/12/1293169112.db2.gz MOIORQGZUAXONF-KPFFTGBYSA-N 1 0 342.487 3.447 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccccc1O ZINC000834903101 1293170019 /nfs/dbraw/zinc/17/00/19/1293170019.db2.gz IVXRARPZGISBPU-PAYONLEZSA-N 1 0 329.444 3.437 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccccn3)n[nH]2)c2c1c(F)ccc2O ZINC000834904760 1293171144 /nfs/dbraw/zinc/17/11/44/1293171144.db2.gz PWDLCGABFCPPDV-GWCFXTLKSA-N 1 0 339.374 3.050 20 10 EGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N2CCCCCC2)cc1 ZINC000834908942 1293172826 /nfs/dbraw/zinc/17/28/26/1293172826.db2.gz MWPULFVCMPTWEV-OXQOHEQNSA-N 1 0 329.488 3.386 20 10 EGCDRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000115815645 1293195416 /nfs/dbraw/zinc/19/54/16/1293195416.db2.gz CASCECOSCGWQCI-UHFFFAOYSA-N 1 0 346.519 3.125 20 10 EGCDRO Cn1cccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000119260739 1293262032 /nfs/dbraw/zinc/26/20/32/1293262032.db2.gz JLMVFEUDZACTCA-MRXNPFEDSA-N 1 0 333.863 3.138 20 10 EGCDRO C[NH+](C)CCn1ccc(NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000119779617 1293287309 /nfs/dbraw/zinc/28/73/09/1293287309.db2.gz AQPWWDNIXJBQGF-UHFFFAOYSA-N 1 0 329.231 3.069 20 10 EGCDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000120081421 1293302951 /nfs/dbraw/zinc/30/29/51/1293302951.db2.gz JEYDHSAHEPHGPT-KFWWJZLASA-N 1 0 338.879 3.119 20 10 EGCDRO C[NH+](C)CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1 ZINC000121296233 1293364197 /nfs/dbraw/zinc/36/41/97/1293364197.db2.gz PNBLSZPPLMATDI-PKNBQFBNSA-N 1 0 329.831 3.343 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000121993687 1293398995 /nfs/dbraw/zinc/39/89/95/1293398995.db2.gz YOPUKLPEEVGWEV-DLBZAZTESA-N 1 0 333.476 3.288 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000121993883 1293399243 /nfs/dbraw/zinc/39/92/43/1293399243.db2.gz YOPUKLPEEVGWEV-IRXDYDNUSA-N 1 0 333.476 3.288 20 10 EGCDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000123553227 1293447658 /nfs/dbraw/zinc/44/76/58/1293447658.db2.gz VADSUSIHWTXIAE-KBXCAEBGSA-N 1 0 340.895 3.234 20 10 EGCDRO Cn1c(CC[NH2+]Cc2c(O)cccc2Cl)nc2cc(F)ccc21 ZINC000123902798 1293459761 /nfs/dbraw/zinc/45/97/61/1293459761.db2.gz IGBVQAOBMZMBPD-UHFFFAOYSA-N 1 0 333.794 3.404 20 10 EGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124920075 1293488437 /nfs/dbraw/zinc/48/84/37/1293488437.db2.gz JQDPLPCCVFWXNV-MRXNPFEDSA-N 1 0 335.467 3.020 20 10 EGCDRO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000130724287 1293667276 /nfs/dbraw/zinc/66/72/76/1293667276.db2.gz QGMQDQXZILDVFX-UHFFFAOYSA-N 1 0 343.383 3.151 20 10 EGCDRO C[NH+](C)CCn1ccc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000131937547 1293704881 /nfs/dbraw/zinc/70/48/81/1293704881.db2.gz WSZFZQDEISCBHI-UHFFFAOYSA-N 1 0 327.476 3.047 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCSc2nccs2)C1 ZINC000132863939 1293730932 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/nfs/dbraw/zinc/87/36/09/1294873609.db2.gz RDMVFXRWINJFFV-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2cc(C)ccc2C)c1 ZINC000182362400 1295038414 /nfs/dbraw/zinc/03/84/14/1295038414.db2.gz JLMWBEAQYUCKHF-HOTGVXAUSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)CC2CCCCC2)c1 ZINC000182347555 1295039197 /nfs/dbraw/zinc/03/91/97/1295039197.db2.gz BXYSMHBYZMCIJU-AWEZNQCLSA-N 1 0 334.460 3.090 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(=O)oc3cc(O)ccc23)c1 ZINC000182397023 1295042486 /nfs/dbraw/zinc/04/24/86/1295042486.db2.gz JEDFDCLVRLMORB-LLVKDONJSA-N 1 0 341.363 3.064 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c1 ZINC000182407568 1295043979 /nfs/dbraw/zinc/04/39/79/1295043979.db2.gz LYOAAVXXOKXURK-HZPDHXFCSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000182436562 1295046795 /nfs/dbraw/zinc/04/67/95/1295046795.db2.gz GELVUFMBZPDIEP-ZIAGYGMSSA-N 1 0 338.411 3.393 20 10 EGCDRO Cc1cccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1O ZINC000182591240 1295061550 /nfs/dbraw/zinc/06/15/50/1295061550.db2.gz PLXHYQDFOBZCHD-UHFFFAOYSA-N 1 0 326.318 3.283 20 10 EGCDRO CC1([C@H]2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)OCCO1 ZINC000182823611 1295078007 /nfs/dbraw/zinc/07/80/07/1295078007.db2.gz AQFOMFLXCJRHEH-SFHVURJKSA-N 1 0 331.456 3.246 20 10 EGCDRO C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccc(N(C)C)cc1 ZINC000182880696 1295081246 /nfs/dbraw/zinc/08/12/46/1295081246.db2.gz GYFNNISQRCBZSP-OAHLLOKOSA-N 1 0 326.444 3.157 20 10 EGCDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)CC(C)C ZINC000184949524 1295231313 /nfs/dbraw/zinc/23/13/13/1295231313.db2.gz NJYDCODRRWMNNJ-UONOGXRCSA-N 1 0 338.448 3.212 20 10 EGCDRO COc1ccccc1C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000185296416 1295253483 /nfs/dbraw/zinc/25/34/83/1295253483.db2.gz DLEOHAUIIIATSS-UHFFFAOYSA-N 1 0 341.407 3.341 20 10 EGCDRO COc1cc(OC)c(CC[NH2+][C@@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000185401451 1295260311 /nfs/dbraw/zinc/26/03/11/1295260311.db2.gz SIXPRKORFNNHCP-LBPRGKRZSA-N 1 0 349.402 3.450 20 10 EGCDRO CCOC(=O)[C@](C)(C[NH2+]Cc1cc(C)ccc1O)c1ccccc1 ZINC000191632627 1295699129 /nfs/dbraw/zinc/69/91/29/1295699129.db2.gz SZDDDMUIOBCCPN-HXUWFJFHSA-N 1 0 327.424 3.311 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1)C1CCCCC1 ZINC000237055250 1296219792 /nfs/dbraw/zinc/21/97/92/1296219792.db2.gz FLTLUMKFQOWZKL-FQEVSTJZSA-N 1 0 329.488 3.071 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000237270733 1296234148 /nfs/dbraw/zinc/23/41/48/1296234148.db2.gz CMRCMVVLQQKCRP-LJQANCHMSA-N 1 0 343.515 3.153 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c(C)n1-c1ccccc1C ZINC000237412655 1296241029 /nfs/dbraw/zinc/24/10/29/1296241029.db2.gz ISOZTGZIJBPPIT-RHSMWYFYSA-N 1 0 325.456 3.354 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000262829063 1296650675 /nfs/dbraw/zinc/65/06/75/1296650675.db2.gz HQPGLBDBFCNYNY-YOEHRIQHSA-N 1 0 325.456 3.273 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H](n2cncn2)C1 ZINC000283998517 1296733603 /nfs/dbraw/zinc/73/36/03/1296733603.db2.gz HSNLUXCJWXUCPU-UXPWSPDFSA-N 1 0 339.487 3.398 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000301814117 1296794325 /nfs/dbraw/zinc/79/43/25/1296794325.db2.gz HEPWVADEKFZELA-CVEARBPZSA-N 1 0 332.444 3.157 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Br)ccc1O ZINC000315761532 1297138598 /nfs/dbraw/zinc/13/85/98/1297138598.db2.gz CMAYCWNHFTYFHL-DZGCQCFKSA-N 1 0 328.250 3.356 20 10 EGCDRO CCCOc1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1C ZINC000873064848 1297255326 /nfs/dbraw/zinc/25/53/26/1297255326.db2.gz JWSKXLYGGZQKFB-UHFFFAOYSA-N 1 0 327.490 3.087 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1Cn1cccn1 ZINC000873080543 1297264223 /nfs/dbraw/zinc/26/42/23/1297264223.db2.gz RITVRCWVPHPHLE-SFHVURJKSA-N 1 0 341.455 3.131 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)COC3)cc1Cn1cccn1 ZINC000873081974 1297264482 /nfs/dbraw/zinc/26/44/82/1297264482.db2.gz XQVKCVZPPFHHRD-UHFFFAOYSA-N 1 0 349.434 3.260 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1Cn1cccn1 ZINC000873100458 1297273353 /nfs/dbraw/zinc/27/33/53/1297273353.db2.gz UVTRQJYPOMWUAB-AZUAARDMSA-N 1 0 343.471 3.233 20 10 EGCDRO CCCOc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1C ZINC000873132309 1297289449 /nfs/dbraw/zinc/28/94/49/1297289449.db2.gz OEUAEYWDFFOXKM-UHFFFAOYSA-N 1 0 339.501 3.088 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000393828095 1297671674 /nfs/dbraw/zinc/67/16/74/1297671674.db2.gz IQKZQINADRHXIM-HUUCEWRRSA-N 1 0 332.444 3.272 20 10 EGCDRO CC[C@@H]([NH2+]CCC1(CO)CC1)c1cc(Br)ccc1O ZINC000395838832 1297686060 /nfs/dbraw/zinc/68/60/60/1297686060.db2.gz DCDDUJJBZVHGGP-CYBMUJFWSA-N 1 0 328.250 3.358 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CC1(O)CCCCCC1 ZINC000706884683 1298227292 /nfs/dbraw/zinc/22/72/92/1298227292.db2.gz BGMKXYBTTKMHQY-UHFFFAOYSA-N 1 0 328.250 3.330 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000715096712 1298276696 /nfs/dbraw/zinc/27/66/96/1298276696.db2.gz MBTPOOFGAZOESA-WKILWMFISA-N 1 0 334.460 3.397 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1C ZINC000725842705 1298372676 /nfs/dbraw/zinc/37/26/76/1298372676.db2.gz MMNWBJWWJQGQIW-CVEARBPZSA-N 1 0 338.451 3.460 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(O)c1 ZINC000725846613 1298374145 /nfs/dbraw/zinc/37/41/45/1298374145.db2.gz JDSMHKJQMXKWIR-CQSZACIVSA-N 1 0 333.350 3.334 20 10 EGCDRO CCCCOCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725848962 1298374429 /nfs/dbraw/zinc/37/44/29/1298374429.db2.gz DZFUFKHHAGCIMQ-UHFFFAOYSA-N 1 0 335.448 3.491 20 10 EGCDRO CC(C)C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000745946802 1298502894 /nfs/dbraw/zinc/50/28/94/1298502894.db2.gz KDNJETSQXNENHR-GOSISDBHSA-N 1 0 331.504 3.079 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)cc1 ZINC000746755642 1298655266 /nfs/dbraw/zinc/65/52/66/1298655266.db2.gz PMXYPTNAPYORFG-UHFFFAOYSA-N 1 0 339.361 3.335 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000876614906 1298868877 /nfs/dbraw/zinc/86/88/77/1298868877.db2.gz WHEWKYVEFBEVME-HNNXBMFYSA-N 1 0 330.472 3.171 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000876636903 1298888655 /nfs/dbraw/zinc/88/86/55/1298888655.db2.gz MYZDKDWMMOFZFE-UHFFFAOYSA-N 1 0 339.439 3.487 20 10 EGCDRO Cc1ccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC000876815242 1299007580 /nfs/dbraw/zinc/00/75/80/1299007580.db2.gz VVGPUIGMNXLBAF-CABCVRRESA-N 1 0 334.460 3.436 20 10 EGCDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877074557 1299145858 /nfs/dbraw/zinc/14/58/58/1299145858.db2.gz AHNPFUVQYCSWAY-GHTZIAJQSA-N 1 0 346.515 3.189 20 10 EGCDRO Cc1nc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)sc1C ZINC000877107700 1299157741 /nfs/dbraw/zinc/15/77/41/1299157741.db2.gz CUFRSLNWDCNNCV-UHFFFAOYSA-N 1 0 345.512 3.053 20 10 EGCDRO Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877167602 1299190284 /nfs/dbraw/zinc/19/02/84/1299190284.db2.gz CYDQYNALYIMCFY-LSDHHAIUSA-N 1 0 334.460 3.436 20 10 EGCDRO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877317457 1299245998 /nfs/dbraw/zinc/24/59/98/1299245998.db2.gz OGOLEBXQGXPDRR-MRXNPFEDSA-N 1 0 325.456 3.236 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCC[C@@H]3CCCCO3)cc2)CC1 ZINC000877352926 1299257826 /nfs/dbraw/zinc/25/78/26/1299257826.db2.gz MBXAFBYLZJOMET-FQEVSTJZSA-N 1 0 332.488 3.087 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NCc3c(C)cccc3O)c2)CC1 ZINC000877404107 1299281724 /nfs/dbraw/zinc/28/17/24/1299281724.db2.gz YGKYKDKRWLRRLZ-UHFFFAOYSA-N 1 0 325.456 3.455 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000877427051 1299291838 /nfs/dbraw/zinc/29/18/38/1299291838.db2.gz UECVIQQYDFYTBV-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000877522846 1299366499 /nfs/dbraw/zinc/36/64/99/1299366499.db2.gz SFTXCRWZWVSPET-CYBMUJFWSA-N 1 0 344.377 3.124 20 10 EGCDRO CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000877530116 1299371534 /nfs/dbraw/zinc/37/15/34/1299371534.db2.gz QPIDNASLCZJJSV-UHFFFAOYSA-N 1 0 347.286 3.024 20 10 EGCDRO OC1CCN(c2ccc(C[N@H+](Cc3ccccn3)C3CC3)cc2)CC1 ZINC000877529889 1299373146 /nfs/dbraw/zinc/37/31/46/1299373146.db2.gz CCCADQYDBVPDDB-UHFFFAOYSA-N 1 0 337.467 3.207 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000877589040 1299417023 /nfs/dbraw/zinc/41/70/23/1299417023.db2.gz FUQGEXOIGIYEJN-HXUWFJFHSA-N 1 0 339.391 3.011 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000877673104 1299470415 /nfs/dbraw/zinc/47/04/15/1299470415.db2.gz NWXYEYIPNNTKEK-UHFFFAOYSA-N 1 0 338.451 3.403 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000877694006 1299486271 /nfs/dbraw/zinc/48/62/71/1299486271.db2.gz WTEAWWVLKMOLBV-UFBFGSQYSA-N 1 0 344.299 3.173 20 10 EGCDRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000877755679 1299530719 /nfs/dbraw/zinc/53/07/19/1299530719.db2.gz LKOLATDDFMOZKS-FRRDWIJNSA-N 1 0 327.371 3.410 20 10 EGCDRO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000752626642 1299769764 /nfs/dbraw/zinc/76/97/64/1299769764.db2.gz QUMRSOJELMLLEA-HUUCEWRRSA-N 1 0 336.863 3.172 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCO1 ZINC000753660226 1300001206 /nfs/dbraw/zinc/00/12/06/1300001206.db2.gz ZHWNZQAXLDCVHX-DYVFJYSZSA-N 1 0 340.414 3.414 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000754082161 1300082015 /nfs/dbraw/zinc/08/20/15/1300082015.db2.gz RLQHCDWRYVJQOH-TZIWHRDSSA-N 1 0 342.483 3.107 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCN(C)c3ccccc3)CC2)cc1 ZINC000754640306 1300179609 /nfs/dbraw/zinc/17/96/09/1300179609.db2.gz MNEWIMMOJWLDOI-UHFFFAOYSA-N 1 0 339.483 3.344 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000756047242 1300432047 /nfs/dbraw/zinc/43/20/47/1300432047.db2.gz QQTHNZNIKLQUFG-UYAOXDASSA-N 1 0 336.439 3.450 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)c1 ZINC000756097956 1300437860 /nfs/dbraw/zinc/43/78/60/1300437860.db2.gz BKVNVWNWFQBFPN-CYBMUJFWSA-N 1 0 331.412 3.226 20 10 EGCDRO CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)N1CCOCC1 ZINC000756369379 1300477930 /nfs/dbraw/zinc/47/79/30/1300477930.db2.gz SFIKNCKLVUTHSN-BMFZPTHFSA-N 1 0 336.451 3.026 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccn(C)n1 ZINC000756430880 1300488746 /nfs/dbraw/zinc/48/87/46/1300488746.db2.gz MGEPLEXMOAUGRP-KRWDZBQOSA-N 1 0 330.501 3.214 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756432194 1300489581 /nfs/dbraw/zinc/48/95/81/1300489581.db2.gz PYLPPBQBILTVHP-IUODEOHRSA-N 1 0 346.402 3.290 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N(C)c2ccccc2)c1 ZINC000756455439 1300495691 /nfs/dbraw/zinc/49/56/91/1300495691.db2.gz LFYXRZGDROICMG-CQSZACIVSA-N 1 0 328.412 3.105 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c1 ZINC000756457945 1300495998 /nfs/dbraw/zinc/49/59/98/1300495998.db2.gz IJUCSJNSXOZTNQ-IAGOWNOFSA-N 1 0 329.440 3.408 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)c(O)c1 ZINC000756457109 1300496375 /nfs/dbraw/zinc/49/63/75/1300496375.db2.gz GCSOWLMHRXGSEF-SJORKVTESA-N 1 0 329.440 3.408 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc(F)c2)c2c1c(F)ccc2O ZINC000756462136 1300497540 /nfs/dbraw/zinc/49/75/40/1300497540.db2.gz ZWJDWJWPYWKYEW-PVXIVEMSSA-N 1 0 349.377 3.248 20 10 EGCDRO C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756503741 1300509479 /nfs/dbraw/zinc/50/94/79/1300509479.db2.gz LZPYYMFPHMQJSD-UWVGGRQHSA-N 1 0 333.245 3.285 20 10 EGCDRO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2)c1 ZINC000756538697 1300517097 /nfs/dbraw/zinc/51/70/97/1300517097.db2.gz FABPPKXGVZXCCI-UKRRQHHQSA-N 1 0 330.403 3.469 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c(O)c1C ZINC000756573590 1300524179 /nfs/dbraw/zinc/52/41/79/1300524179.db2.gz LAMWQBZUYBMHFK-FUHWJXTLSA-N 1 0 332.488 3.303 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000756572601 1300524291 /nfs/dbraw/zinc/52/42/91/1300524291.db2.gz GXPDOUXNSKXQLA-MRXNPFEDSA-N 1 0 348.487 3.486 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(N(C)C)Cc3ccccc3C2)c1 ZINC000756596838 1300529136 /nfs/dbraw/zinc/52/91/36/1300529136.db2.gz HPEQQMXULYOUIJ-OAHLLOKOSA-N 1 0 340.467 3.151 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000756630986 1300536590 /nfs/dbraw/zinc/53/65/90/1300536590.db2.gz WTQVUUCMYIDZAS-OAHLLOKOSA-N 1 0 336.476 3.338 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cc(Br)ccc1O ZINC000756648788 1300540100 /nfs/dbraw/zinc/54/01/00/1300540100.db2.gz YTZBPUSPIMMFJI-JRPNMDOOSA-N 1 0 339.277 3.288 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCCc2ccccc2)c2c1c(F)ccc2O ZINC000756818554 1300570784 /nfs/dbraw/zinc/57/07/84/1300570784.db2.gz PPCHBXVRNWSEQI-XJKSGUPXSA-N 1 0 342.414 3.028 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000756928314 1300591789 /nfs/dbraw/zinc/59/17/89/1300591789.db2.gz VFICGVREIFQZNW-AWEZNQCLSA-N 1 0 345.464 3.266 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(OC)cc(C)n3)CC2)cc1 ZINC000757085691 1300633944 /nfs/dbraw/zinc/63/39/44/1300633944.db2.gz PQSHRDPZJAFZTQ-UHFFFAOYSA-N 1 0 341.455 3.120 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1O ZINC000879648613 1300648041 /nfs/dbraw/zinc/64/80/41/1300648041.db2.gz WHNYGUGMQAOBED-ABAIWWIYSA-N 1 0 332.350 3.127 20 10 EGCDRO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1ccccc1O ZINC000879648715 1300648962 /nfs/dbraw/zinc/64/89/62/1300648962.db2.gz AIPNFXGZCLOQLG-CYBMUJFWSA-N 1 0 332.831 3.403 20 10 EGCDRO CC(C)[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccc(N(C)C)cc1 ZINC000759019842 1300998955 /nfs/dbraw/zinc/99/89/55/1300998955.db2.gz RCCOYOYMJVDPPR-UHFFFAOYSA-N 1 0 340.533 3.176 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000760041265 1301212580 /nfs/dbraw/zinc/21/25/80/1301212580.db2.gz XRGAMWSGMLXWCI-GXTWGEPZSA-N 1 0 330.394 3.483 20 10 EGCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761202481 1301419809 /nfs/dbraw/zinc/41/98/09/1301419809.db2.gz ZHRACDQTIRCONM-SUMWQHHRSA-N 1 0 341.835 3.266 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1O ZINC000762616771 1301714335 /nfs/dbraw/zinc/71/43/35/1301714335.db2.gz RZNJSNGRNGVEBK-IVMMDQJWSA-N 1 0 325.499 3.260 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000763546574 1301922755 /nfs/dbraw/zinc/92/27/55/1301922755.db2.gz JHZQGYTXMRKJKA-KRWDZBQOSA-N 1 0 339.395 3.166 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000764746416 1302126059 /nfs/dbraw/zinc/12/60/59/1302126059.db2.gz ZVHWENGZYKBGNO-FGTMMUONSA-N 1 0 333.520 3.293 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000764741425 1302126085 /nfs/dbraw/zinc/12/60/85/1302126085.db2.gz DDQFZABBELQSID-UXHICEINSA-N 1 0 333.520 3.150 20 10 EGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCCC1 ZINC000765247721 1302226828 /nfs/dbraw/zinc/22/68/28/1302226828.db2.gz CGHIPRQUANKYOY-SJORKVTESA-N 1 0 349.494 3.187 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000765253692 1302229110 /nfs/dbraw/zinc/22/91/10/1302229110.db2.gz LCEBOLVJYQJTIY-CRAIPNDOSA-N 1 0 329.488 3.057 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CN3CCC[C@H](C)C3)CC2)cc1 ZINC000765302151 1302241906 /nfs/dbraw/zinc/24/19/06/1302241906.db2.gz VMTUFVLCZNACJW-ROUUACIJSA-N 1 0 345.531 3.374 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H]1CCOC1 ZINC000766191183 1302407595 /nfs/dbraw/zinc/40/75/95/1302407595.db2.gz QWLJZQAYJHZKHH-ILXRZTDVSA-N 1 0 338.879 3.252 20 10 EGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)C ZINC000766365449 1302439338 /nfs/dbraw/zinc/43/93/38/1302439338.db2.gz FWSLVBKZXDWDMX-KBXCAEBGSA-N 1 0 340.895 3.498 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000766435854 1302452320 /nfs/dbraw/zinc/45/23/20/1302452320.db2.gz AQTRTDRWEYRMJM-VQIMIIECSA-N 1 0 329.488 3.338 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC000767511416 1302698153 /nfs/dbraw/zinc/69/81/53/1302698153.db2.gz FBKJLHDHYPYKCM-MRXNPFEDSA-N 1 0 347.377 3.235 20 10 EGCDRO COc1ccc(C)cc1CN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000768201573 1302854431 /nfs/dbraw/zinc/85/44/31/1302854431.db2.gz UYHYELLIHVALGW-UHFFFAOYSA-N 1 0 340.467 3.335 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(Cc3ccsc3)CC2)c1O ZINC000768209035 1302856283 /nfs/dbraw/zinc/85/62/83/1302856283.db2.gz XNHMNXIWVPUKLC-UHFFFAOYSA-N 1 0 332.469 3.170 20 10 EGCDRO COC1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000768215453 1302858075 /nfs/dbraw/zinc/85/80/75/1302858075.db2.gz GWWITVCLJBYAIK-UHFFFAOYSA-N 1 0 333.432 3.196 20 10 EGCDRO CCOc1ccc(CN2CC[NH+](CCc3cccs3)CC2)c(O)c1 ZINC000768358402 1302887139 /nfs/dbraw/zinc/88/71/39/1302887139.db2.gz UFQKHKVOJLCZLV-UHFFFAOYSA-N 1 0 346.496 3.213 20 10 EGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC12CC3CC(CC(C3)C1)C2 ZINC000768443204 1302902822 /nfs/dbraw/zinc/90/28/22/1302902822.db2.gz ZYNHBBLBMAJDDX-IPAUSASBSA-N 1 0 343.467 3.466 20 10 EGCDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444306 1302905745 /nfs/dbraw/zinc/90/57/45/1302905745.db2.gz XGXHZWMBWKBDHU-HKUYNNGSSA-N 1 0 325.408 3.464 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768446333 1302906656 /nfs/dbraw/zinc/90/66/56/1302906656.db2.gz MWAMFXLVMUMSLO-IEBWSBKVSA-N 1 0 343.448 3.108 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](CCc1cccc(F)c1)C1CC1)[C@H](O)CO2 ZINC000768447282 1302907143 /nfs/dbraw/zinc/90/71/43/1302907143.db2.gz NYUWQJDMFIMTGZ-LJQANCHMSA-N 1 0 343.398 3.164 20 10 EGCDRO CCCCCC(=O)NC1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000768445080 1302907834 /nfs/dbraw/zinc/90/78/34/1302907834.db2.gz PZLDOOXFXCOKMM-UHFFFAOYSA-N 1 0 348.487 3.370 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCOC1 ZINC000768531082 1302926488 /nfs/dbraw/zinc/92/64/88/1302926488.db2.gz VVQWLEDXWXBYIB-LBPRGKRZSA-N 1 0 328.250 3.403 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000768998920 1303030183 /nfs/dbraw/zinc/03/01/83/1303030183.db2.gz PXOSNCQQMZPTEH-UHFFFAOYSA-N 1 0 339.483 3.474 20 10 EGCDRO CN(C)c1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1F ZINC000769428341 1303112302 /nfs/dbraw/zinc/11/23/02/1303112302.db2.gz YTOOVGNXOKJRQQ-IBGZPJMESA-N 1 0 328.431 3.374 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H](CC)CN1C(C)=O ZINC000769499614 1303128176 /nfs/dbraw/zinc/12/81/76/1303128176.db2.gz ZMLZZUMOMXYCQS-IRXDYDNUSA-N 1 0 335.467 3.113 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000769528304 1303135776 /nfs/dbraw/zinc/13/57/76/1303135776.db2.gz UQXBTIAUMYLPFI-OAQYLSRUSA-N 1 0 344.499 3.447 20 10 EGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000769778969 1303173101 /nfs/dbraw/zinc/17/31/01/1303173101.db2.gz YHGDIIONEBRCEC-UHFFFAOYSA-N 1 0 330.453 3.038 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC000771398584 1303399609 /nfs/dbraw/zinc/39/96/09/1303399609.db2.gz VCJWRJCUUOOIBE-AWEZNQCLSA-N 1 0 340.414 3.416 20 10 EGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886325174 1303433880 /nfs/dbraw/zinc/43/38/80/1303433880.db2.gz XUBNWCIMXWCESL-FUHWJXTLSA-N 1 0 343.515 3.304 20 10 EGCDRO CCN(CC)C(=O)C[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000771933522 1303463153 /nfs/dbraw/zinc/46/31/53/1303463153.db2.gz KZEUBULYYBIYGZ-UHFFFAOYSA-N 1 0 326.440 3.359 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886607195 1303521135 /nfs/dbraw/zinc/52/11/35/1303521135.db2.gz MKJJGAJRFFIOHJ-DYVFJYSZSA-N 1 0 332.419 3.493 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CC1(C)C ZINC000886751362 1303584148 /nfs/dbraw/zinc/58/41/48/1303584148.db2.gz ONFKQPHIMVNELD-RTBURBONSA-N 1 0 343.515 3.303 20 10 EGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000772964502 1303599362 /nfs/dbraw/zinc/59/93/62/1303599362.db2.gz NMAMMRXLKSRYLB-CVEARBPZSA-N 1 0 348.487 3.294 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000773016767 1303609234 /nfs/dbraw/zinc/60/92/34/1303609234.db2.gz RPJVOAPUBJMABR-NXHRZFHOSA-N 1 0 338.517 3.149 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000773018464 1303609397 /nfs/dbraw/zinc/60/93/97/1303609397.db2.gz WOAMLCSIXPCRIT-ZVZYQTTQSA-N 1 0 338.517 3.149 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000773064548 1303617282 /nfs/dbraw/zinc/61/72/82/1303617282.db2.gz MOYIUDPAJDCESP-GOSISDBHSA-N 1 0 326.444 3.054 20 10 EGCDRO CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000774381397 1303804318 /nfs/dbraw/zinc/80/43/18/1303804318.db2.gz MXLSKPLQKWWNIT-CYBMUJFWSA-N 1 0 335.275 3.318 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000774480363 1303814726 /nfs/dbraw/zinc/81/47/26/1303814726.db2.gz AYFNURITUAVRTB-CABCVRRESA-N 1 0 343.446 3.247 20 10 EGCDRO C[C@H]([NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774482736 1303814790 /nfs/dbraw/zinc/81/47/90/1303814790.db2.gz MJWOABZZPWLFST-SCLBCKFNSA-N 1 0 345.874 3.153 20 10 EGCDRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774486135 1303816302 /nfs/dbraw/zinc/81/63/02/1303816302.db2.gz WAUODIRBGJHGNA-LSDHHAIUSA-N 1 0 343.475 3.208 20 10 EGCDRO CC(C)[N@H+](CCCNC(=O)C(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000774557990 1303827929 /nfs/dbraw/zinc/82/79/29/1303827929.db2.gz HKMGBDDWWUPFDG-UHFFFAOYSA-N 1 0 345.409 3.032 20 10 EGCDRO COc1cccc(C2([NH2+]Cc3cc(F)ccc3O)CCOCC2)c1F ZINC000775204630 1303924596 /nfs/dbraw/zinc/92/45/96/1303924596.db2.gz AWEUMUXOIFPGOC-UHFFFAOYSA-N 1 0 349.377 3.475 20 10 EGCDRO Cc1cc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)ccc1F ZINC000775548605 1303982414 /nfs/dbraw/zinc/98/24/14/1303982414.db2.gz GOFWFAXASZVQES-OAHLLOKOSA-N 1 0 343.446 3.167 20 10 EGCDRO CCC[N@@H+](Cc1cc(OC)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000775643204 1304001439 /nfs/dbraw/zinc/00/14/39/1304001439.db2.gz OMXSTLGVULGKDF-KRWDZBQOSA-N 1 0 343.423 3.453 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)Cc2c(C)nc3sccn32)cc1OC ZINC000775679322 1304012793 /nfs/dbraw/zinc/01/27/93/1304012793.db2.gz WYKRPCORWNJTEX-UHFFFAOYSA-N 1 0 347.440 3.059 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000775833444 1304046464 /nfs/dbraw/zinc/04/64/64/1304046464.db2.gz IZRNULFPVCRVTG-OAHLLOKOSA-N 1 0 329.488 3.337 20 10 EGCDRO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833437 1304046638 /nfs/dbraw/zinc/04/66/38/1304046638.db2.gz IXWBMTXPJZXXKV-AWEZNQCLSA-N 1 0 327.428 3.051 20 10 EGCDRO CC(C)c1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775834501 1304046763 /nfs/dbraw/zinc/04/67/63/1304046763.db2.gz UBUDJQVCPWEYPV-GFCCVEGCSA-N 1 0 347.488 3.017 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775837397 1304047854 /nfs/dbraw/zinc/04/78/54/1304047854.db2.gz SCPFNRFRABFMCU-AWEZNQCLSA-N 1 0 345.874 3.373 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@H]1OC ZINC000775978933 1304073556 /nfs/dbraw/zinc/07/35/56/1304073556.db2.gz PINRNNSBCVKNJI-DFQSSKMNSA-N 1 0 327.424 3.341 20 10 EGCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000775985319 1304074304 /nfs/dbraw/zinc/07/43/04/1304074304.db2.gz YWCZVJMAOZTRMM-UHFFFAOYSA-N 1 0 349.814 3.229 20 10 EGCDRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000776133926 1304101529 /nfs/dbraw/zinc/10/15/29/1304101529.db2.gz BOVNAXFWFWWGQP-VQIMIIECSA-N 1 0 346.519 3.233 20 10 EGCDRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000776242881 1304120103 /nfs/dbraw/zinc/12/01/03/1304120103.db2.gz BJNAUAGUAFYLTR-QFBILLFUSA-N 1 0 344.503 3.083 20 10 EGCDRO Cc1cnn(-c2cc[nH+]cc2NCc2ccc(N(C)C)c(F)c2)c1 ZINC000776252325 1304121006 /nfs/dbraw/zinc/12/10/06/1304121006.db2.gz BTHHNKCAQLBSEF-UHFFFAOYSA-N 1 0 325.391 3.393 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCCCC2)ccc1N1CCCCC1 ZINC000776498535 1304166720 /nfs/dbraw/zinc/16/67/20/1304166720.db2.gz XAEGVOBNFWOQHS-UHFFFAOYSA-N 1 0 347.459 3.370 20 10 EGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000776806665 1304201817 /nfs/dbraw/zinc/20/18/17/1304201817.db2.gz FLVMJJUTXIIMOC-QWHCGFSZSA-N 1 0 340.851 3.392 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000779027729 1304520529 /nfs/dbraw/zinc/52/05/29/1304520529.db2.gz UBYJLMMMHCBOPA-YPMHNXCESA-N 1 0 341.293 3.456 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(Br)cc1O ZINC000779067379 1304524844 /nfs/dbraw/zinc/52/48/44/1304524844.db2.gz WNPQBYPQRNJNOO-JQWIXIFHSA-N 1 0 336.233 3.017 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000780580917 1304711861 /nfs/dbraw/zinc/71/18/61/1304711861.db2.gz RAKAHPXZLREBRY-BBRMVZONSA-N 1 0 347.377 3.364 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1O ZINC000780891995 1304748543 /nfs/dbraw/zinc/74/85/43/1304748543.db2.gz FZZWCBQKKDTMIT-NEPJUHHUSA-N 1 0 328.250 3.056 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000782778795 1305012235 /nfs/dbraw/zinc/01/22/35/1305012235.db2.gz UVUFCMGOQYIWFC-JXFKEZNVSA-N 1 0 332.488 3.115 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000782779174 1305012395 /nfs/dbraw/zinc/01/23/95/1305012395.db2.gz UVUFCMGOQYIWFC-UZLBHIALSA-N 1 0 332.488 3.115 20 10 EGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cc(Br)ccc1O ZINC000783315173 1305081065 /nfs/dbraw/zinc/08/10/65/1305081065.db2.gz VRAXNGGDGZPNJV-LLVKDONJSA-N 1 0 327.266 3.290 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c1 ZINC000783593939 1305113422 /nfs/dbraw/zinc/11/34/22/1305113422.db2.gz OJCAPFNADGMCSA-UHFFFAOYSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1cc(N2CC[NH+](CCCC(C)C)CC2)cc(OC)c1OC ZINC000783673638 1305126244 /nfs/dbraw/zinc/12/62/44/1305126244.db2.gz RFHAXVOISLDYDP-UHFFFAOYSA-N 1 0 336.476 3.271 20 10 EGCDRO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC000784352807 1305233246 /nfs/dbraw/zinc/23/32/46/1305233246.db2.gz QBCHTVRWGXUSIQ-MRXNPFEDSA-N 1 0 331.504 3.079 20 10 EGCDRO Cc1cc(N)nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH+]1 ZINC000892269435 1305300285 /nfs/dbraw/zinc/30/02/85/1305300285.db2.gz OXPQLEGTSPJWMR-UHFFFAOYSA-N 1 0 349.385 3.050 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000785613315 1305393278 /nfs/dbraw/zinc/39/32/78/1305393278.db2.gz DWRFEDCFPSZHBP-OAHLLOKOSA-N 1 0 325.767 3.017 20 10 EGCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000785989159 1305486810 /nfs/dbraw/zinc/48/68/10/1305486810.db2.gz SQEQGGNJYMOJAS-SUNKGSAMSA-N 1 0 328.250 3.136 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)Oc2cccc(C)c2)c(O)c1OC ZINC000892955429 1305626658 /nfs/dbraw/zinc/62/66/58/1305626658.db2.gz HOMOHWGUNNZUEB-AWEZNQCLSA-N 1 0 331.412 3.275 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000786962218 1305667403 /nfs/dbraw/zinc/66/74/03/1305667403.db2.gz OUSZBPWNHQRSRS-LLVKDONJSA-N 1 0 325.455 3.016 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H]1C ZINC000787239806 1305715891 /nfs/dbraw/zinc/71/58/91/1305715891.db2.gz CUCAXOLNDYOIQK-CHWSQXEVSA-N 1 0 343.423 3.401 20 10 EGCDRO Cc1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000788124644 1305873304 /nfs/dbraw/zinc/87/33/04/1305873304.db2.gz YDKCTFXYLDLOSG-IAGOWNOFSA-N 1 0 339.439 3.273 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c(O)c1OC ZINC000893650678 1306006586 /nfs/dbraw/zinc/00/65/86/1306006586.db2.gz DWRRTRJLSLTGFV-KDOFPFPSSA-N 1 0 344.455 3.190 20 10 EGCDRO C[C@H]([NH2+]CCOC(F)(F)F)c1cc(Br)ccc1O ZINC000788982188 1306057912 /nfs/dbraw/zinc/05/79/12/1306057912.db2.gz VWJZLZNCSPOZBW-ZETCQYMHSA-N 1 0 328.128 3.342 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](COC)Cc2ccccc2)c1 ZINC000789584550 1306188184 /nfs/dbraw/zinc/18/81/84/1306188184.db2.gz MWHAKNZTWFRPNC-GOSISDBHSA-N 1 0 329.440 3.480 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)c(O)c1OC ZINC000894119482 1306230155 /nfs/dbraw/zinc/23/01/55/1306230155.db2.gz GRIIYGOAFDRHGR-QZTJIDSGSA-N 1 0 345.439 3.257 20 10 EGCDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(F)ccc(O)c1O ZINC000789946225 1306236227 /nfs/dbraw/zinc/23/62/27/1306236227.db2.gz ANCCEJIZBLZGEX-UHFFFAOYSA-N 1 0 346.402 3.009 20 10 EGCDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894141353 1306242875 /nfs/dbraw/zinc/24/28/75/1306242875.db2.gz DXASHJDZFRVRQS-UHFFFAOYSA-N 1 0 347.411 3.025 20 10 EGCDRO CC(C)N1CCC[C@H]([N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1=O ZINC000790265913 1306286250 /nfs/dbraw/zinc/28/62/50/1306286250.db2.gz KLHRFBJEUKRSBL-IBGZPJMESA-N 1 0 329.488 3.116 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(O)c1OC ZINC000894296868 1306328176 /nfs/dbraw/zinc/32/81/76/1306328176.db2.gz WJPNOKAKBZVDFN-DOMZBBRYSA-N 1 0 346.254 3.425 20 10 EGCDRO C[C@@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000790526177 1306344198 /nfs/dbraw/zinc/34/41/98/1306344198.db2.gz XACUCCJGKRHPMQ-QAPCUYQASA-N 1 0 346.519 3.233 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1O ZINC000894370459 1306363281 /nfs/dbraw/zinc/36/32/81/1306363281.db2.gz LUKYFOQCNFIPTB-XNRPHZJLSA-N 1 0 325.499 3.178 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000791003306 1308908119 /nfs/dbraw/zinc/90/81/19/1308908119.db2.gz MOZHJVWXAVGHKH-FOIQADDNSA-N 1 0 329.440 3.120 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c(O)c1OC ZINC000894591107 1308969123 /nfs/dbraw/zinc/96/91/23/1308969123.db2.gz DQQDBWDALDAXBR-APPDUMDISA-N 1 0 349.452 3.263 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1O ZINC000894854911 1309102117 /nfs/dbraw/zinc/10/21/17/1309102117.db2.gz KATYUIVVDVFBKB-UHFFFAOYSA-N 1 0 341.451 3.235 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000894938782 1309130315 /nfs/dbraw/zinc/13/03/15/1309130315.db2.gz COJQTYMUOCTDQC-OAHLLOKOSA-N 1 0 326.488 3.393 20 10 EGCDRO COc1cc(C)cc(CN(CC[NH3+])c2ccc3ccccc3n2)c1O ZINC000894995507 1309147416 /nfs/dbraw/zinc/14/74/16/1309147416.db2.gz YPXZLVSTQPRSTL-UHFFFAOYSA-N 1 0 337.423 3.223 20 10 EGCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792787341 1309231070 /nfs/dbraw/zinc/23/10/70/1309231070.db2.gz CDSWRJFMFCTSHR-LLVKDONJSA-N 1 0 332.366 3.012 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000792801533 1309233842 /nfs/dbraw/zinc/23/38/42/1309233842.db2.gz ORKIENGZYOTZNB-MRXNPFEDSA-N 1 0 341.421 3.442 20 10 EGCDRO CN(C)c1ccc(CN2CCC[C@H]([NH+](C)C)C2)c(C(F)(F)F)c1 ZINC000792809892 1309235473 /nfs/dbraw/zinc/23/54/73/1309235473.db2.gz DWDMKGXOQXZDKM-HNNXBMFYSA-N 1 0 329.410 3.297 20 10 EGCDRO Cc1ccc(CCC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000792919869 1309259245 /nfs/dbraw/zinc/25/92/45/1309259245.db2.gz MKUOIYXIACVUFL-UHFFFAOYSA-N 1 0 343.446 3.088 20 10 EGCDRO CN(C)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000792920531 1309260422 /nfs/dbraw/zinc/26/04/22/1309260422.db2.gz ZDNSLOUOIOTXNZ-GDBMZVCRSA-N 1 0 341.421 3.488 20 10 EGCDRO C[C@@H](CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000895299036 1309274619 /nfs/dbraw/zinc/27/46/19/1309274619.db2.gz GLKRHVDEIZPMKG-HNNXBMFYSA-N 1 0 334.464 3.015 20 10 EGCDRO CC(C)C(=O)NCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793024614 1309281694 /nfs/dbraw/zinc/28/16/94/1309281694.db2.gz BMXVLOWMLSUGJT-UHFFFAOYSA-N 1 0 345.409 3.023 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(O)c1OC ZINC000895405740 1309319671 /nfs/dbraw/zinc/31/96/71/1309319671.db2.gz PCKSYLGPUZQOGG-GOEBONIOSA-N 1 0 335.444 3.191 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)c(O)c1 ZINC000793388703 1309361333 /nfs/dbraw/zinc/36/13/33/1309361333.db2.gz RXAWMJFLIYFDDY-UHFFFAOYSA-N 1 0 329.444 3.472 20 10 EGCDRO COc1cc(O)c(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)cc1OC ZINC000895658437 1309451434 /nfs/dbraw/zinc/45/14/34/1309451434.db2.gz KAWVUAFGFVJRQB-GOSISDBHSA-N 1 0 331.412 3.011 20 10 EGCDRO Cc1noc([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000794140281 1309471789 /nfs/dbraw/zinc/47/17/89/1309471789.db2.gz LXCRNXHGGQPPHA-KRWDZBQOSA-N 1 0 326.444 3.358 20 10 EGCDRO Cc1n[nH]c(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000796345723 1309973399 /nfs/dbraw/zinc/97/33/99/1309973399.db2.gz LXMFNKSGNGELJD-UHFFFAOYSA-N 1 0 347.466 3.008 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C)cc1O ZINC000797041258 1310131712 /nfs/dbraw/zinc/13/17/12/1310131712.db2.gz YLGAWFKNMDWABS-AEFFLSMTSA-N 1 0 345.487 3.422 20 10 EGCDRO C[NH+]1CCC2(CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)CC1 ZINC000798956810 1310463448 /nfs/dbraw/zinc/46/34/48/1310463448.db2.gz AWNFSUGIJONTAB-UHFFFAOYSA-N 1 0 326.843 3.493 20 10 EGCDRO CC(C)(C)OC(=O)N=c1[nH]cc(C[NH2+]Cc2ccccc2O)s1 ZINC000800233005 1310708309 /nfs/dbraw/zinc/70/83/09/1310708309.db2.gz SOZQLTKNPFSIOP-UHFFFAOYSA-N 1 0 335.429 3.486 20 10 EGCDRO CCc1onc(C)c1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447192 1310739140 /nfs/dbraw/zinc/73/91/40/1310739140.db2.gz GPRBBCYPTBZWMM-SFHVURJKSA-N 1 0 330.476 3.004 20 10 EGCDRO CN(C)c1ccc([C@H](CNCc2nc3ccccc3o2)[NH+](C)C)cc1 ZINC000898449500 1310741051 /nfs/dbraw/zinc/74/10/51/1310741051.db2.gz GTHLTALSQNJUNE-SFHVURJKSA-N 1 0 338.455 3.286 20 10 EGCDRO COCc1cccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898450405 1310741726 /nfs/dbraw/zinc/74/17/26/1310741726.db2.gz QYZYKMRKDMNVLY-OAQYLSRUSA-N 1 0 341.499 3.292 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)N(C)C)cc1 ZINC000898451519 1310742251 /nfs/dbraw/zinc/74/22/51/1310742251.db2.gz ZEWQAPYZXKYYRP-OAQYLSRUSA-N 1 0 338.499 3.029 20 10 EGCDRO C[C@H](CC1CCOCC1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451395 1310742391 /nfs/dbraw/zinc/74/23/91/1310742391.db2.gz YWMWSYNLVKANOI-UZLBHIALSA-N 1 0 333.520 3.150 20 10 EGCDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000899133412 1310946700 /nfs/dbraw/zinc/94/67/00/1310946700.db2.gz LMZSYWWRGIXPQK-IBGZPJMESA-N 1 0 342.439 3.065 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000918346630 1319945139 /nfs/dbraw/zinc/94/51/39/1319945139.db2.gz ICTNLIVDQDGZJO-INIZCTEOSA-N 1 0 331.485 3.226 20 10 EGCDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3cc(OC)c(OC)cc3O)C2)c1 ZINC000825091288 1320309173 /nfs/dbraw/zinc/30/91/73/1320309173.db2.gz XGEXUBJBCHMHSZ-KOMQPUFPSA-N 1 0 343.423 3.454 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000826019515 1320379118 /nfs/dbraw/zinc/37/91/18/1320379118.db2.gz HNEOBIPZEUKQIZ-FQEVSTJZSA-N 1 0 339.483 3.500 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000826539333 1320387273 /nfs/dbraw/zinc/38/72/73/1320387273.db2.gz RQGPOIAUGCUYQE-LSDHHAIUSA-N 1 0 339.277 3.261 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000827184858 1320432622 /nfs/dbraw/zinc/43/26/22/1320432622.db2.gz IJPFBGFXJRHYHS-UHFFFAOYSA-N 1 0 345.443 3.364 20 10 EGCDRO CCOc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000839186129 1320889294 /nfs/dbraw/zinc/88/92/94/1320889294.db2.gz IXXJSJJXOPPBAE-UHFFFAOYSA-N 1 0 334.485 3.416 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)(C)C ZINC000802648751 1317022033 /nfs/dbraw/zinc/02/20/33/1317022033.db2.gz PXYMDNGTXMENHU-WBVHZDCISA-N 1 0 331.504 3.160 20 10 EGCDRO C[C@H](O)c1ccc(C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858106538 1328683446 /nfs/dbraw/zinc/68/34/46/1328683446.db2.gz KQUMRQWBBIOLCM-NSHDSACASA-N 1 0 336.229 3.498 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)cc1C ZINC001019408477 1317223012 /nfs/dbraw/zinc/22/30/12/1317223012.db2.gz CMJPYYFPMIJXPP-CEXWTWQISA-N 1 0 344.499 3.376 20 10 EGCDRO CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000806131913 1317462891 /nfs/dbraw/zinc/46/28/91/1317462891.db2.gz OSUYMHXIMNGCOI-QGZVFWFLSA-N 1 0 339.911 3.114 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000806132468 1317463588 /nfs/dbraw/zinc/46/35/88/1317463588.db2.gz WQSYGYQQWRQVHV-RHSMWYFYSA-N 1 0 339.911 3.112 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000806662094 1317517565 /nfs/dbraw/zinc/51/75/65/1317517565.db2.gz JDFRKUYOOBAFKM-IRXDYDNUSA-N 1 0 337.533 3.003 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000858186075 1328706931 /nfs/dbraw/zinc/70/69/31/1328706931.db2.gz PUOCTPWVXRBBOI-LSDHHAIUSA-N 1 0 339.277 3.261 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cncc(F)c1 ZINC000902722955 1317608229 /nfs/dbraw/zinc/60/82/29/1317608229.db2.gz FGOIPMLEBNONJZ-LIRRHRJNSA-N 1 0 330.451 3.240 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCn2nc(C(F)(F)F)cc2C)c1O ZINC000903163083 1317666620 /nfs/dbraw/zinc/66/66/20/1317666620.db2.gz YEGCGOQNDQXQIT-NSHDSACASA-N 1 0 343.349 3.275 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CCSC(C)C)c1O ZINC000808420101 1317673562 /nfs/dbraw/zinc/67/35/62/1317673562.db2.gz VBHOILQHELETPF-UHFFFAOYSA-N 1 0 334.279 3.395 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)cc1 ZINC000808447637 1317679139 /nfs/dbraw/zinc/67/91/39/1317679139.db2.gz SHNALBKJWISBEJ-CEWLAPEOSA-N 1 0 343.515 3.269 20 10 EGCDRO COc1ccnc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903448088 1317702185 /nfs/dbraw/zinc/70/21/85/1317702185.db2.gz JLKUYBRBOIQICF-MGPUTAFESA-N 1 0 342.487 3.110 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[C@@H]1O ZINC000809644278 1317855285 /nfs/dbraw/zinc/85/52/85/1317855285.db2.gz GGLGIXYCQOJIMJ-VGSWGCGISA-N 1 0 336.479 3.452 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697495 1317866888 /nfs/dbraw/zinc/86/68/88/1317866888.db2.gz HWWITKSXIRVOEE-WPRPVWTQSA-N 1 0 341.732 3.177 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)Nc2ccccc2C[NH3+])cc1 ZINC000904663914 1317878617 /nfs/dbraw/zinc/87/86/17/1317878617.db2.gz CBXJJFJXQCLJAN-UHFFFAOYSA-N 1 0 326.444 3.313 20 10 EGCDRO CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(Br)c1[O-] ZINC000809750332 1317890578 /nfs/dbraw/zinc/89/05/78/1317890578.db2.gz UKLVHYXFVLGDGF-UHFFFAOYSA-N 1 0 341.293 3.463 20 10 EGCDRO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@@H](O)C1CC1 ZINC000809752194 1317890139 /nfs/dbraw/zinc/89/01/39/1317890139.db2.gz PDORUVSXMSIXCU-HXUWFJFHSA-N 1 0 327.424 3.174 20 10 EGCDRO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C[C@@H](O)C1CC1 ZINC000809750922 1317890438 /nfs/dbraw/zinc/89/04/38/1317890438.db2.gz BTURBPFRGZFNGT-JOCHJYFZSA-N 1 0 336.479 3.452 20 10 EGCDRO COc1cccc(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c1O ZINC000809774862 1317897773 /nfs/dbraw/zinc/89/77/73/1317897773.db2.gz SLZXAXGUHSOOPI-HOTGVXAUSA-N 1 0 329.440 3.387 20 10 EGCDRO C[N@H+](CCn1cc(Br)cn1)Cc1c(O)cccc1Cl ZINC000809793211 1317903206 /nfs/dbraw/zinc/90/32/06/1317903206.db2.gz ULBNFEBZTACZNB-UHFFFAOYSA-N 1 0 344.640 3.137 20 10 EGCDRO Cc1cccnc1OC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000809993759 1317931963 /nfs/dbraw/zinc/93/19/63/1317931963.db2.gz QXYQRGCNUYKNEO-UHFFFAOYSA-N 1 0 325.456 3.499 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@]3(C)C(C)C)C2)cc1C ZINC001020858522 1317966131 /nfs/dbraw/zinc/96/61/31/1317966131.db2.gz SGDONWRZONNXOH-NEYJZJCJSA-N 1 0 344.499 3.423 20 10 EGCDRO CCOc1cccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000905618869 1317973536 /nfs/dbraw/zinc/97/35/36/1317973536.db2.gz PPVJUVQAUKBZRR-UHFFFAOYSA-N 1 0 330.457 3.033 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccc(C(F)(F)F)cc1O ZINC000810216003 1317977749 /nfs/dbraw/zinc/97/77/49/1317977749.db2.gz BLEQCHCPMQNJAL-HIFRSBDPSA-N 1 0 346.393 3.172 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(F)CCCCC3)C2)cc1C ZINC001020877814 1317978302 /nfs/dbraw/zinc/97/83/02/1317978302.db2.gz MAIHDTPDZNMMIS-QAQDUYKDSA-N 1 0 348.462 3.413 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(C(F)(F)F)cc1O ZINC000810221168 1317978947 /nfs/dbraw/zinc/97/89/47/1317978947.db2.gz LXXLCASUBJCYAK-STQMWFEESA-N 1 0 330.350 3.073 20 10 EGCDRO CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1ccc(C(F)(F)F)cc1O ZINC000810228930 1317981819 /nfs/dbraw/zinc/98/18/19/1317981819.db2.gz OFWKAURSVNKBOK-LBPRGKRZSA-N 1 0 332.366 3.224 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)c1O ZINC000810241765 1317984428 /nfs/dbraw/zinc/98/44/28/1317984428.db2.gz DNAYLAWRYOSVDI-LBPRGKRZSA-N 1 0 332.831 3.233 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1ccc(C(F)(F)F)cc1O ZINC000810238818 1317984465 /nfs/dbraw/zinc/98/44/65/1317984465.db2.gz NTSOWUSJFPGHHX-GWCFXTLKSA-N 1 0 332.366 3.319 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(Br)cc1O ZINC000810259986 1317989199 /nfs/dbraw/zinc/98/91/99/1317989199.db2.gz ZCNLFXDUVMUTNN-YGRLFVJLSA-N 1 0 328.250 3.356 20 10 EGCDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)/C=C\c1cn(C)cn1 ZINC000905933291 1318020196 /nfs/dbraw/zinc/02/01/96/1318020196.db2.gz KBDDKCKGEWWEIZ-QXPKXGMISA-N 1 0 340.471 3.033 20 10 EGCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000812700302 1318441277 /nfs/dbraw/zinc/44/12/77/1318441277.db2.gz ACYGUVATNLBNNK-KRWDZBQOSA-N 1 0 348.535 3.405 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1O ZINC000812739980 1318446654 /nfs/dbraw/zinc/44/66/54/1318446654.db2.gz JTPPAAJMXNBDTG-XJKSGUPXSA-N 1 0 328.387 3.378 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)nc2-c2cccnc2)c1 ZINC000813331394 1318535373 /nfs/dbraw/zinc/53/53/73/1318535373.db2.gz NYCKNJRZGWKYCR-ZDUSSCGKSA-N 1 0 338.411 3.047 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H](C)C[NH+](C)C)c2C)cc1 ZINC000814137026 1318681711 /nfs/dbraw/zinc/68/17/11/1318681711.db2.gz JDVOXFFHKLGCOD-AWEZNQCLSA-N 1 0 343.471 3.030 20 10 EGCDRO COCC(C)(C)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814178209 1318692261 /nfs/dbraw/zinc/69/22/61/1318692261.db2.gz HJVBYKNCXVDYJA-UHFFFAOYSA-N 1 0 335.448 3.442 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C3CCCCC3)CC2)cc1 ZINC000911668194 1318757057 /nfs/dbraw/zinc/75/70/57/1318757057.db2.gz WABRODDWAZHKTH-SFHVURJKSA-N 1 0 329.488 3.229 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3C=CC=CC=C3)C2)cc1C ZINC001022147847 1318820389 /nfs/dbraw/zinc/82/03/89/1318820389.db2.gz DPGOBCFGMVAROY-KDURUIRLSA-N 1 0 338.451 3.039 20 10 EGCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)oc1C ZINC000815009028 1318865225 /nfs/dbraw/zinc/86/52/25/1318865225.db2.gz XNVMGWUSVJWHLA-UHFFFAOYSA-N 1 0 330.428 3.381 20 10 EGCDRO Cc1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)ccc1N(C)C ZINC000815012529 1318865320 /nfs/dbraw/zinc/86/53/20/1318865320.db2.gz LXNQAPHNJZOKRG-UHFFFAOYSA-N 1 0 343.515 3.286 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)C2)cc1C ZINC001022326035 1318892807 /nfs/dbraw/zinc/89/28/07/1318892807.db2.gz VNDRETAXXFZNOQ-LTFXXXRZSA-N 1 0 342.483 3.177 20 10 EGCDRO Fc1cc(CNc2cc3c(c[nH+]2)CCC3)ccc1N1CCOCC1 ZINC000815158857 1318915514 /nfs/dbraw/zinc/91/55/14/1318915514.db2.gz CJWDVZGDJMPDNM-UHFFFAOYSA-N 1 0 327.403 3.158 20 10 EGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000815633831 1319033257 /nfs/dbraw/zinc/03/32/57/1319033257.db2.gz XKBKHZWGACPXDJ-HUUCEWRRSA-N 1 0 332.488 3.474 20 10 EGCDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000815641064 1319034398 /nfs/dbraw/zinc/03/43/98/1319034398.db2.gz OJSLLPDODLAJDO-QGZVFWFLSA-N 1 0 341.503 3.479 20 10 EGCDRO CC(C)C(=O)NC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816486392 1319164386 /nfs/dbraw/zinc/16/43/86/1319164386.db2.gz BRDAZHBQHRSGFW-UHFFFAOYSA-N 1 0 326.440 3.282 20 10 EGCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816499372 1319167505 /nfs/dbraw/zinc/16/75/05/1319167505.db2.gz NYPXNWSFSPPVPV-KRWDZBQOSA-N 1 0 326.440 3.284 20 10 EGCDRO Oc1c(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)ccc2ccccc21 ZINC000816557365 1319181583 /nfs/dbraw/zinc/18/15/83/1319181583.db2.gz NRYVKECYZHTDJF-MRXNPFEDSA-N 1 0 337.398 3.448 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816560649 1319183372 /nfs/dbraw/zinc/18/33/72/1319183372.db2.gz WDCHWMZFBZBUIA-UHFFFAOYSA-N 1 0 325.412 3.140 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(OC(=O)N(C)C)CC2)cc1 ZINC000816654835 1319202229 /nfs/dbraw/zinc/20/22/29/1319202229.db2.gz BETGTHZVJJAZFF-UHFFFAOYSA-N 1 0 333.476 3.195 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c(C(F)(F)F)c1 ZINC000816666238 1319205316 /nfs/dbraw/zinc/20/53/16/1319205316.db2.gz ISFHWHXYMIUXLV-ZDUSSCGKSA-N 1 0 330.394 3.366 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccncc1Cl ZINC000817573211 1319399569 /nfs/dbraw/zinc/39/95/69/1319399569.db2.gz CBHNTDJRZNNHSB-AWEZNQCLSA-N 1 0 331.847 3.422 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc2ccccc2c1O ZINC000817585489 1319405783 /nfs/dbraw/zinc/40/57/83/1319405783.db2.gz FEYZCJKQMSXJCR-IIAWOOMASA-N 1 0 326.440 3.488 20 10 EGCDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817585255 1319405826 /nfs/dbraw/zinc/40/58/26/1319405826.db2.gz DLPVCDFQEUJIOR-CQSZACIVSA-N 1 0 333.451 3.122 20 10 EGCDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817585681 1319406537 /nfs/dbraw/zinc/40/65/37/1319406537.db2.gz GWUJFACDDAAHBQ-INIZCTEOSA-N 1 0 329.488 3.373 20 10 EGCDRO CCC(CC)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)N1CCOCC1 ZINC000915228073 1319449329 /nfs/dbraw/zinc/44/93/29/1319449329.db2.gz DIBPFNGEMPYSEB-LJQANCHMSA-N 1 0 334.504 3.230 20 10 EGCDRO COc1cc(C)ccc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937975 1319465339 /nfs/dbraw/zinc/46/53/39/1319465339.db2.gz AVJBJCYIEPTHSZ-BEFAXECRSA-N 1 0 327.472 3.420 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(O)c1 ZINC000817939882 1319468630 /nfs/dbraw/zinc/46/86/30/1319468630.db2.gz CYFOQOVNFBGADI-YJBOKZPZSA-N 1 0 327.472 3.426 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000817939534 1319468590 /nfs/dbraw/zinc/46/85/90/1319468590.db2.gz CKNQBUAOZXMVCM-BEFAXECRSA-N 1 0 326.488 3.169 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C12CCCC2 ZINC000817941406 1319469807 /nfs/dbraw/zinc/46/98/07/1319469807.db2.gz JREPORAIAJJEFE-GBESFXJTSA-N 1 0 331.504 3.080 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)NC[C@@H]2CCCC[NH2+]2)c1O ZINC000817949657 1319472982 /nfs/dbraw/zinc/47/29/82/1319472982.db2.gz LNMMHJVWBGYLSK-AAEUAGOBSA-N 1 0 327.266 3.256 20 10 EGCDRO Cc1c([C@H](C)[NH2+]CCc2ccc(N)cc2)nnn1-c1ccc(F)cc1 ZINC000817955914 1319476750 /nfs/dbraw/zinc/47/67/50/1319476750.db2.gz LDQDXMJDRVZPDO-ZDUSSCGKSA-N 1 0 339.418 3.190 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(Br)c(F)cc1[O-] ZINC000817970300 1319480850 /nfs/dbraw/zinc/48/08/50/1319480850.db2.gz QXZHSVLEXKBKLV-GUBZILKMSA-N 1 0 331.229 3.214 20 10 EGCDRO Cc1cc(N)cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000817982210 1319485240 /nfs/dbraw/zinc/48/52/40/1319485240.db2.gz ZYDUAPQUCBCJIW-HNNXBMFYSA-N 1 0 343.446 3.404 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000818219452 1319521300 /nfs/dbraw/zinc/52/13/00/1319521300.db2.gz GKSWTWLFYKNRQI-QGZVFWFLSA-N 1 0 326.440 3.320 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@@H](C(C)C)C3)C2)cc1 ZINC000818220239 1319521415 /nfs/dbraw/zinc/52/14/15/1319521415.db2.gz GTBZSSRKZMJOOT-FUHIMQAGSA-N 1 0 332.488 3.315 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c[nH]nc3C(C)(C)C)C2)cc1 ZINC000818221747 1319522521 /nfs/dbraw/zinc/52/25/21/1319522521.db2.gz SNVZBONMEQJGHO-OAHLLOKOSA-N 1 0 342.487 3.332 20 10 EGCDRO COc1ccsc1C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818221451 1319522788 /nfs/dbraw/zinc/52/27/88/1319522788.db2.gz MTEHWFQFMUJSTK-CQSZACIVSA-N 1 0 332.469 3.381 20 10 EGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)c1ccc(F)c(F)c1 ZINC000819064476 1319625008 /nfs/dbraw/zinc/62/50/08/1319625008.db2.gz ZPIZJRXOLIVKGJ-ZDUSSCGKSA-N 1 0 330.425 3.227 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H](C)C3CC3)C2)cc1C ZINC000961685521 1319697180 /nfs/dbraw/zinc/69/71/80/1319697180.db2.gz IYLDTJKNQGQHBJ-NXVRBGIVSA-N 1 0 330.472 3.034 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000819377152 1319714101 /nfs/dbraw/zinc/71/41/01/1319714101.db2.gz NJVQVBFARVOSPC-UWJYYQICSA-N 1 0 326.484 3.185 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000962327683 1319915289 /nfs/dbraw/zinc/91/52/89/1319915289.db2.gz CIOIVYUICGUOAI-GPQLOAJWSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1C ZINC001023842829 1319983702 /nfs/dbraw/zinc/98/37/02/1319983702.db2.gz XBHRAFAPNLWEDX-KRWDZBQOSA-N 1 0 342.439 3.239 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(F)ccc3O)C2)cc1 ZINC000822494566 1320088524 /nfs/dbraw/zinc/08/85/24/1320088524.db2.gz RCMCSOCCJRBPIZ-AWEZNQCLSA-N 1 0 330.403 3.156 20 10 EGCDRO COCC(C)(C)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000822497486 1320089371 /nfs/dbraw/zinc/08/93/71/1320089371.db2.gz FGANIFZOMOLEKK-UHFFFAOYSA-N 1 0 328.456 3.088 20 10 EGCDRO Cc1cccc(CN2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1O ZINC000822504714 1320090138 /nfs/dbraw/zinc/09/01/38/1320090138.db2.gz XHGDTMYIYONZFV-GASCZTMLSA-N 1 0 333.334 3.003 20 10 EGCDRO CCOC(=O)CN(Cc1cccc2[nH]ccc21)Cc1ccccc1O ZINC000822511337 1320091597 /nfs/dbraw/zinc/09/15/97/1320091597.db2.gz DHKPQBYHKHALBJ-UHFFFAOYSA-N 1 0 338.407 3.439 20 10 EGCDRO COc1ccc(-n2cc(C[NH2+]Cc3ccc(N(C)C)cc3)cn2)cc1 ZINC000823608997 1320192043 /nfs/dbraw/zinc/19/20/43/1320192043.db2.gz NDBVHAADSZFYLX-UHFFFAOYSA-N 1 0 336.439 3.237 20 10 EGCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000823670965 1320197446 /nfs/dbraw/zinc/19/74/46/1320197446.db2.gz GLTJTQSGGSRRCO-ZOMKSWQUSA-N 1 0 338.492 3.280 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCn2cncn2)cc1 ZINC000823801322 1320208616 /nfs/dbraw/zinc/20/86/16/1320208616.db2.gz AYCAKUGMQIDAGB-UHFFFAOYSA-N 1 0 341.484 3.156 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1 ZINC000824403632 1320254930 /nfs/dbraw/zinc/25/49/30/1320254930.db2.gz XMOJJBIZMZKTNP-MRXNPFEDSA-N 1 0 343.496 3.082 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000824790372 1320285771 /nfs/dbraw/zinc/28/57/71/1320285771.db2.gz SWOWBXOGJVBXDS-UHFFFAOYSA-N 1 0 325.767 3.362 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1F ZINC000824954201 1320299698 /nfs/dbraw/zinc/29/96/98/1320299698.db2.gz PESHFENOBZJHBQ-VQIMIIECSA-N 1 0 329.419 3.297 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000825045670 1320305898 /nfs/dbraw/zinc/30/58/98/1320305898.db2.gz IYTOQLLCBFHGSU-YLJYHZDGSA-N 1 0 342.487 3.276 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1C ZINC000825118908 1320312942 /nfs/dbraw/zinc/31/29/42/1320312942.db2.gz YUZAUVWDWRBRSR-NEWSRXKRSA-N 1 0 343.471 3.487 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1 ZINC000825118105 1320312988 /nfs/dbraw/zinc/31/29/88/1320312988.db2.gz OPLNYHBAOOGLIK-QYZOEREBSA-N 1 0 342.487 3.236 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CCC[C@H]2CCOC2)c1O ZINC000825144961 1320314579 /nfs/dbraw/zinc/31/45/79/1320314579.db2.gz SZRHVYDEZMAPBL-LBPRGKRZSA-N 1 0 328.250 3.369 20 10 EGCDRO CCn1nc(C)c(C[NH2+]Cc2ccc(Br)cc2O)c1C ZINC000825196899 1320317455 /nfs/dbraw/zinc/31/74/55/1320317455.db2.gz BRIWPBCJHYDNNE-UHFFFAOYSA-N 1 0 338.249 3.278 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccc(F)cc1 ZINC000825207790 1320318195 /nfs/dbraw/zinc/31/81/95/1320318195.db2.gz NOUGVFTXYWPFFQ-HNAYVOBHSA-N 1 0 341.430 3.057 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1)C(=O)NC ZINC000825315906 1320326907 /nfs/dbraw/zinc/32/69/07/1320326907.db2.gz HHBDIGHDTYFQLZ-HXUWFJFHSA-N 1 0 339.483 3.327 20 10 EGCDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCCC[C@H]1O ZINC000825446043 1320339024 /nfs/dbraw/zinc/33/90/24/1320339024.db2.gz HEYRALYDWIWUAT-SMDDNHRTSA-N 1 0 328.250 3.138 20 10 EGCDRO CCCN(Cc1ccc(C(=O)OC)c(F)c1)c1ccc(C[NH3+])cc1 ZINC000825710013 1320357174 /nfs/dbraw/zinc/35/71/74/1320357174.db2.gz FPXZTACPCPXQBN-UHFFFAOYSA-N 1 0 330.403 3.488 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)cc1Cl ZINC000825738210 1320359336 /nfs/dbraw/zinc/35/93/36/1320359336.db2.gz KHQZKBDMVKASJX-NSHDSACASA-N 1 0 328.840 3.357 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1Cl ZINC000825803522 1320363696 /nfs/dbraw/zinc/36/36/96/1320363696.db2.gz AHHGWQFOLKIDMD-CXAGYDPISA-N 1 0 339.863 3.011 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000825887590 1320368763 /nfs/dbraw/zinc/36/87/63/1320368763.db2.gz VKWPQUUMMSDMHU-RYUDHWBXSA-N 1 0 337.769 3.347 20 10 EGCDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(Br)cc2O)C1 ZINC000825935601 1320373239 /nfs/dbraw/zinc/37/32/39/1320373239.db2.gz YLLGZRMJPNCKGK-WFASDCNBSA-N 1 0 339.277 3.071 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1Cl ZINC000826535433 1320385990 /nfs/dbraw/zinc/38/59/90/1320385990.db2.gz WYTZJMPRVFYGMO-INIZCTEOSA-N 1 0 336.863 3.091 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000837724078 1320674276 /nfs/dbraw/zinc/67/42/76/1320674276.db2.gz CLIBHNLGOIYHSE-IBGZPJMESA-N 1 0 346.519 3.157 20 10 EGCDRO COc1cc(O)c(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)cc1OC ZINC000839145408 1320879689 /nfs/dbraw/zinc/87/96/89/1320879689.db2.gz SOJMMVSANNDHJF-UHFFFAOYSA-N 1 0 349.377 3.362 20 10 EGCDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000840166328 1321042395 /nfs/dbraw/zinc/04/23/95/1321042395.db2.gz IGGXEEZMPSIZEV-KZULUSFZSA-N 1 0 331.387 3.020 20 10 EGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000840764362 1321143869 /nfs/dbraw/zinc/14/38/69/1321143869.db2.gz SQONBVGVFWVUJS-FMKPAKJESA-N 1 0 338.879 3.395 20 10 EGCDRO O=C1NCCC[C@@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000840825742 1321157447 /nfs/dbraw/zinc/15/74/47/1321157447.db2.gz KFTUMUDQDLVASB-IEBWSBKVSA-N 1 0 338.451 3.182 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@](C)(OC)C3CC3)CC2)cc1 ZINC000840858981 1321163313 /nfs/dbraw/zinc/16/33/13/1321163313.db2.gz FQDRZDKIBWGWSF-FOIQADDNSA-N 1 0 332.488 3.457 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000840893539 1321172183 /nfs/dbraw/zinc/17/21/83/1321172183.db2.gz KVVYLFZLJXEMNQ-DNVCBOLYSA-N 1 0 326.488 3.393 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000840909530 1321175932 /nfs/dbraw/zinc/17/59/32/1321175932.db2.gz HSDZKLAJTIYHLN-UHFFFAOYSA-N 1 0 331.504 3.045 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000840936274 1321180920 /nfs/dbraw/zinc/18/09/20/1321180920.db2.gz HYUVJSMZQRAJAB-LJQANCHMSA-N 1 0 329.488 3.084 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000840954627 1321185485 /nfs/dbraw/zinc/18/54/85/1321185485.db2.gz KXQOZUAOBQYVFJ-UHFFFAOYSA-N 1 0 332.513 3.385 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000840972525 1321191630 /nfs/dbraw/zinc/19/16/30/1321191630.db2.gz PAJAJLVGUNBQEV-FQEVSTJZSA-N 1 0 341.451 3.321 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000840975895 1321192091 /nfs/dbraw/zinc/19/20/91/1321192091.db2.gz MCTIVDHSKNQNAS-HNNXBMFYSA-N 1 0 346.544 3.300 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000840975264 1321192648 /nfs/dbraw/zinc/19/26/48/1321192648.db2.gz FBPQXBJHKYPNLE-CYBMUJFWSA-N 1 0 336.430 3.453 20 10 EGCDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841036965 1321206070 /nfs/dbraw/zinc/20/60/70/1321206070.db2.gz XIAJOCRUFADSTD-OAHLLOKOSA-N 1 0 325.456 3.381 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2NCCc3ccccc32)c1O ZINC000841069049 1321212931 /nfs/dbraw/zinc/21/29/31/1321212931.db2.gz LTZWDGMVOQFXRW-MRXNPFEDSA-N 1 0 332.831 3.031 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CN)C2CCCC2)c1O ZINC000841087797 1321216651 /nfs/dbraw/zinc/21/66/51/1321216651.db2.gz PXRXSQXZHHJWKZ-AWEZNQCLSA-N 1 0 327.266 3.070 20 10 EGCDRO C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000841297265 1321248325 /nfs/dbraw/zinc/24/83/25/1321248325.db2.gz DGXSRLRYQOGZRT-CVEARBPZSA-N 1 0 338.455 3.396 20 10 EGCDRO Cc1cnccc1OC1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841297061 1321248450 /nfs/dbraw/zinc/24/84/50/1321248450.db2.gz MHWLPZHOWOHEFZ-UHFFFAOYSA-N 1 0 326.400 3.048 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000841393654 1321268151 /nfs/dbraw/zinc/26/81/51/1321268151.db2.gz GLFQKLXRJLZECL-HXUWFJFHSA-N 1 0 339.483 3.370 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744641 1321305210 /nfs/dbraw/zinc/30/52/10/1321305210.db2.gz JKTWGHKXQUAPFN-LBPRGKRZSA-N 1 0 336.819 3.317 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1O ZINC000841743794 1321305850 /nfs/dbraw/zinc/30/58/50/1321305850.db2.gz CEBTUPDYTZPVLO-SMDDNHRTSA-N 1 0 339.794 3.275 20 10 EGCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841757666 1321307234 /nfs/dbraw/zinc/30/72/34/1321307234.db2.gz OPFQZEJQDSPUAP-PWSUYJOCSA-N 1 0 333.819 3.427 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(Cl)cc1O ZINC000841754389 1321307355 /nfs/dbraw/zinc/30/73/55/1321307355.db2.gz QIHWBRQFIHEHIO-LLVKDONJSA-N 1 0 330.815 3.182 20 10 EGCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841757664 1321307426 /nfs/dbraw/zinc/30/74/26/1321307426.db2.gz OPFQZEJQDSPUAP-JQWIXIFHSA-N 1 0 333.819 3.427 20 10 EGCDRO CN(c1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1)C1CCCCC1 ZINC000841760127 1321308425 /nfs/dbraw/zinc/30/84/25/1321308425.db2.gz RCKVWWQHZBPGBB-KRWDZBQOSA-N 1 0 344.503 3.007 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc2ccccc2c1O)C1(O)CCOCC1 ZINC000841889671 1321327191 /nfs/dbraw/zinc/32/71/91/1321327191.db2.gz GYTYFMWZGVPQKN-UHFFFAOYSA-N 1 0 329.440 3.203 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1F ZINC000841893654 1321328175 /nfs/dbraw/zinc/32/81/75/1321328175.db2.gz HNOLNTQWGHJPHO-AWEZNQCLSA-N 1 0 329.410 3.101 20 10 EGCDRO CC(C)C[C@H](C[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841954785 1321331489 /nfs/dbraw/zinc/33/14/89/1321331489.db2.gz VJUDAKFEIFLTOF-MRXNPFEDSA-N 1 0 345.443 3.070 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000841953286 1321331975 /nfs/dbraw/zinc/33/19/75/1321331975.db2.gz GIBNZNNVUVIMHH-KRWDZBQOSA-N 1 0 334.508 3.048 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841988239 1321333794 /nfs/dbraw/zinc/33/37/94/1321333794.db2.gz TWBQWAARWIKTQP-LJQANCHMSA-N 1 0 346.519 3.190 20 10 EGCDRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2ccccc2O)cc1 ZINC000842214636 1321363429 /nfs/dbraw/zinc/36/34/29/1321363429.db2.gz QBZBTAUPEOWMGP-UHFFFAOYSA-N 1 0 341.455 3.076 20 10 EGCDRO [NH3+]CC[C@H]1CCCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843123820 1321473076 /nfs/dbraw/zinc/47/30/76/1321473076.db2.gz PYTKTJDJUWOHKV-QGZVFWFLSA-N 1 0 346.475 3.288 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000843323747 1321501654 /nfs/dbraw/zinc/50/16/54/1321501654.db2.gz BRBMLEGCTOYUMA-GDBMZVCRSA-N 1 0 343.446 3.351 20 10 EGCDRO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349486 1321503577 /nfs/dbraw/zinc/50/35/77/1321503577.db2.gz BCUWJCXTRGNAQJ-JKSUJKDBSA-N 1 0 349.478 3.264 20 10 EGCDRO C[C@H](c1nnnn1C1CCCCC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843352171 1321504342 /nfs/dbraw/zinc/50/43/42/1321504342.db2.gz RUXSHMKXAXHNBJ-CQSZACIVSA-N 1 0 340.475 3.151 20 10 EGCDRO CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC[C@@H]1[NH3+] ZINC000843471182 1321521164 /nfs/dbraw/zinc/52/11/64/1321521164.db2.gz OHQSCJQQEIKRHD-KXBFYZLASA-N 1 0 343.446 3.433 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)cc1F ZINC000844182733 1321576942 /nfs/dbraw/zinc/57/69/42/1321576942.db2.gz KQFBADHYMGEQTE-IBGZPJMESA-N 1 0 343.446 3.297 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(Cl)nc(Cl)n2C)c1 ZINC000845971668 1321759942 /nfs/dbraw/zinc/75/99/42/1321759942.db2.gz AVZMCJOOAIDJDI-MRVPVSSYSA-N 1 0 330.215 3.292 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c1O ZINC000846137595 1321770186 /nfs/dbraw/zinc/77/01/86/1321770186.db2.gz SYFNYWFDAAXSQP-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c1O ZINC000846139591 1321770798 /nfs/dbraw/zinc/77/07/98/1321770798.db2.gz WVWBZFWWQOGYSO-HNNXBMFYSA-N 1 0 337.423 3.480 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846161106 1321773399 /nfs/dbraw/zinc/77/33/99/1321773399.db2.gz ZQSHFKXFBHVUDO-CYBMUJFWSA-N 1 0 349.452 3.045 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1O ZINC000846166774 1321773719 /nfs/dbraw/zinc/77/37/19/1321773719.db2.gz CLXRJNVHZBNZRV-GFCCVEGCSA-N 1 0 333.457 3.177 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000846170073 1321773861 /nfs/dbraw/zinc/77/38/61/1321773861.db2.gz VTWBYSPUGZUNFU-WBVHZDCISA-N 1 0 329.440 3.272 20 10 EGCDRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000846208677 1321776157 /nfs/dbraw/zinc/77/61/57/1321776157.db2.gz KWOJWOWGINMAEL-HNNXBMFYSA-N 1 0 333.451 3.089 20 10 EGCDRO C[NH+](C)CCc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000848242284 1321946269 /nfs/dbraw/zinc/94/62/69/1321946269.db2.gz AQUHMPWJENYLHC-UHFFFAOYSA-N 1 0 332.831 3.080 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848392825 1321957159 /nfs/dbraw/zinc/95/71/59/1321957159.db2.gz HRSFJBNYFLWSBA-PZJWPPBQSA-N 1 0 341.499 3.025 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cncnc3C)CC2)cc1 ZINC000848525414 1321969138 /nfs/dbraw/zinc/96/91/38/1321969138.db2.gz NQRPDGSVTLFWAW-HNNXBMFYSA-N 1 0 326.444 3.113 20 10 EGCDRO CCc1cccc(CNc2cccc(CN3CC[NH+](C)CC3)c2)c1O ZINC000848892251 1322031830 /nfs/dbraw/zinc/03/18/30/1322031830.db2.gz PQLKJKHLHAVRHO-UHFFFAOYSA-N 1 0 339.483 3.314 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1O ZINC000848894427 1322033257 /nfs/dbraw/zinc/03/32/57/1322033257.db2.gz FCARFEXYFCYDJX-QGZVFWFLSA-N 1 0 339.357 3.494 20 10 EGCDRO CCc1cccc(C[NH2+]CCc2ccc(OC)c(OC)c2OC)c1O ZINC000848895391 1322033913 /nfs/dbraw/zinc/03/39/13/1322033913.db2.gz SLLAMJIZXSIUSZ-UHFFFAOYSA-N 1 0 345.439 3.313 20 10 EGCDRO CCOc1ccc(NC(=O)C[NH2+]Cc2cccc(CC)c2O)cc1 ZINC000848901324 1322038282 /nfs/dbraw/zinc/03/82/82/1322038282.db2.gz XKMOEHWHHKJIAB-UHFFFAOYSA-N 1 0 328.412 3.082 20 10 EGCDRO CCc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1O ZINC000848917994 1322046155 /nfs/dbraw/zinc/04/61/55/1322046155.db2.gz MFCVUFDSOGTIFE-RDJZCZTQSA-N 1 0 346.471 3.396 20 10 EGCDRO c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)n(CC2CC2)n1 ZINC000850033770 1322186265 /nfs/dbraw/zinc/18/62/65/1322186265.db2.gz DXOCFKNTVVUEEB-UHFFFAOYSA-N 1 0 342.512 3.136 20 10 EGCDRO COc1cc(C[NH2+]C[C@H](O)Cc2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000850120753 1322195164 /nfs/dbraw/zinc/19/51/64/1322195164.db2.gz BJMLRCZCRUCOKS-QGZVFWFLSA-N 1 0 343.467 3.392 20 10 EGCDRO COc1cc(C[NH2+]CC[S@](=O)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850138517 1322197515 /nfs/dbraw/zinc/19/75/15/1322197515.db2.gz IGIRBVWDOLTPHZ-QHCPKHFHSA-N 1 0 341.517 3.335 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c(O)c(C(C)(C)C)c1 ZINC000850151185 1322198971 /nfs/dbraw/zinc/19/89/71/1322198971.db2.gz SREFLWPYSRVJLC-AWEZNQCLSA-N 1 0 329.444 3.069 20 10 EGCDRO COc1cc(C[NH2+]C[C@](C)(O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850228659 1322210696 /nfs/dbraw/zinc/21/06/96/1322210696.db2.gz KAFULEFQAJHUKU-HNNXBMFYSA-N 1 0 335.366 3.101 20 10 EGCDRO COCC1([NH2+]Cc2cc(Br)cc(OC)c2O)CCCC1 ZINC000850344940 1322230894 /nfs/dbraw/zinc/23/08/94/1322230894.db2.gz CHKFJGASJGNQOI-UHFFFAOYSA-N 1 0 344.249 3.212 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1F ZINC000850396811 1322238456 /nfs/dbraw/zinc/23/84/56/1322238456.db2.gz PGEUPIXTPQKIMU-INIZCTEOSA-N 1 0 349.494 3.409 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(F)cc3F)cc2)CC1 ZINC000850405623 1322240272 /nfs/dbraw/zinc/24/02/72/1322240272.db2.gz XARBDDBOBQPUEC-UHFFFAOYSA-N 1 0 332.394 3.216 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cncc(F)c1 ZINC000850406319 1322240618 /nfs/dbraw/zinc/24/06/18/1322240618.db2.gz BHIAIMJTOHUGEU-AWEZNQCLSA-N 1 0 329.419 3.033 20 10 EGCDRO COc1cc(F)cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406347 1322240957 /nfs/dbraw/zinc/24/09/57/1322240957.db2.gz CNWJNBPTAXZIET-UHFFFAOYSA-N 1 0 344.430 3.085 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1C ZINC000850418720 1322244602 /nfs/dbraw/zinc/24/46/02/1322244602.db2.gz AZMIHBOSUIKFQD-INIZCTEOSA-N 1 0 325.330 3.250 20 10 EGCDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Br)ccc1O ZINC000850546131 1322264216 /nfs/dbraw/zinc/26/42/16/1322264216.db2.gz WMZIDPMRDGWXMO-CMPLNLGQSA-N 1 0 328.250 3.214 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850556768 1322266171 /nfs/dbraw/zinc/26/61/71/1322266171.db2.gz LUXLGEBRPLBXMN-CRAIPNDOSA-N 1 0 331.504 3.440 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000850562694 1322268231 /nfs/dbraw/zinc/26/82/31/1322268231.db2.gz PCVFLJVMQSDKFF-QVKFZJNVSA-N 1 0 347.499 3.489 20 10 EGCDRO CC(C)(C)OC1CC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850568111 1322269978 /nfs/dbraw/zinc/26/99/78/1322269978.db2.gz PQOIDXCHNJELMR-UHFFFAOYSA-N 1 0 332.488 3.083 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Cl)ccc1O ZINC000850563341 1322270097 /nfs/dbraw/zinc/27/00/97/1322270097.db2.gz WHHMHLKLXJELOS-SJCJKPOMSA-N 1 0 327.852 3.264 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1O ZINC000850580555 1322272717 /nfs/dbraw/zinc/27/27/17/1322272717.db2.gz OKVOGIDFUXVCCN-GLEZIHRCSA-N 1 0 329.293 3.333 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000850580827 1322273342 /nfs/dbraw/zinc/27/33/42/1322273342.db2.gz RIJKSQKQUHWBNM-LKFCYVNXSA-N 1 0 341.329 3.202 20 10 EGCDRO FC(F)(F)CN1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921642628 1322369356 /nfs/dbraw/zinc/36/93/56/1322369356.db2.gz GKZXDWNMCADZKW-UHFFFAOYSA-N 1 0 328.378 3.128 20 10 EGCDRO O=C(NCC[NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1Cl ZINC000921737126 1322387644 /nfs/dbraw/zinc/38/76/44/1322387644.db2.gz AYAWTQVRICFFEZ-UHFFFAOYSA-N 1 0 344.842 3.185 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)ccc1OC ZINC000922568287 1322559062 /nfs/dbraw/zinc/55/90/62/1322559062.db2.gz ZATDOWLQSQJDDZ-FQEVSTJZSA-N 1 0 347.430 3.368 20 10 EGCDRO COc1cccc(C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000922984463 1322668716 /nfs/dbraw/zinc/66/87/16/1322668716.db2.gz JPNJLPYCWRSSJS-CQSZACIVSA-N 1 0 341.329 3.243 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C3CC(C)C3)C2)cc1C ZINC001023927201 1323032938 /nfs/dbraw/zinc/03/29/38/1323032938.db2.gz WIRABDIXAFSHPO-ZCDLSOSASA-N 1 0 344.499 3.378 20 10 EGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C3CC4(C3)CCCC4)cc2)C1 ZINC000924726615 1323136236 /nfs/dbraw/zinc/13/62/36/1323136236.db2.gz AOSAVWQDFCHVFT-KRWDZBQOSA-N 1 0 341.499 3.201 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2(CC(=O)OC(C)(C)C)CCOCC2)cc1 ZINC000852180227 1323162478 /nfs/dbraw/zinc/16/24/78/1323162478.db2.gz KYQITBANHPGRKA-UHFFFAOYSA-N 1 0 348.487 3.123 20 10 EGCDRO Cc1cc(C[N@H+](CCOCCO)C2CCC2)ccc1N1CCCCC1 ZINC000852291600 1323174765 /nfs/dbraw/zinc/17/47/65/1323174765.db2.gz YASJYMQTXUUHAH-UHFFFAOYSA-N 1 0 346.515 3.349 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)[C@H]3CCO)cc2)CC1 ZINC000852460237 1323194584 /nfs/dbraw/zinc/19/45/84/1323194584.db2.gz BCAHGUZSCSMXJE-LAUBAEHRSA-N 1 0 346.515 3.285 20 10 EGCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000852634413 1323220367 /nfs/dbraw/zinc/22/03/67/1323220367.db2.gz NCFVYGHKWQDCCB-HUUCEWRRSA-N 1 0 327.403 3.153 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2[C@H]3CCCCCC[C@H]23)cc1 ZINC000852791992 1323243683 /nfs/dbraw/zinc/24/36/83/1323243683.db2.gz ONTXDCMVLSISTC-OKZBNKHCSA-N 1 0 329.488 3.085 20 10 EGCDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024819012 1323724079 /nfs/dbraw/zinc/72/40/79/1323724079.db2.gz KMTFOCJEQYXMAX-INIZCTEOSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)/C=C/C2CC2)cc1C ZINC001024913257 1323777654 /nfs/dbraw/zinc/77/76/54/1323777654.db2.gz XYXUSHYDUTWICV-SINXNMPMSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)CC(C)C)C[C@H]23)cc1C ZINC001026177348 1324644683 /nfs/dbraw/zinc/64/46/83/1324644683.db2.gz BVYFEJGTYWOZQL-CEXWTWQISA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C4(C)CC4)C[C@@H]23)cc1C ZINC001026272382 1324696972 /nfs/dbraw/zinc/69/69/72/1324696972.db2.gz HPEBBWIQWHKUQZ-KZNAEPCWSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(C)(C)C)C[C@@H]32)cc1C ZINC001026406401 1324778932 /nfs/dbraw/zinc/77/89/32/1324778932.db2.gz YXAUODJIXFRGKK-OKZBNKHCSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccc(C)o3)C2)cc1C ZINC001026666887 1324962965 /nfs/dbraw/zinc/96/29/65/1324962965.db2.gz RFWLZUWBAIFCJW-QGZVFWFLSA-N 1 0 342.439 3.157 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2cc(F)ncn2)C1 ZINC000853311275 1325079245 /nfs/dbraw/zinc/07/92/45/1325079245.db2.gz RMGQSUMXBBMBQU-ZDUSSCGKSA-N 1 0 336.798 3.051 20 10 EGCDRO CCC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001027050005 1325187658 /nfs/dbraw/zinc/18/76/58/1325187658.db2.gz SGALJITYTGUVPF-IPMKNSEASA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC34CCC4)C2)cc1C ZINC001027094027 1325220195 /nfs/dbraw/zinc/22/01/95/1325220195.db2.gz HTRIQCMTLDZHCE-ROUUACIJSA-N 1 0 342.483 3.132 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1 ZINC000854221817 1325230735 /nfs/dbraw/zinc/23/07/35/1325230735.db2.gz AIBPFFFAOBKMTH-OMWUSAIZSA-N 1 0 344.430 3.336 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854314083 1325243870 /nfs/dbraw/zinc/24/38/70/1325243870.db2.gz HVANDTGXVJGJOX-KRWDZBQOSA-N 1 0 346.519 3.157 20 10 EGCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)C4(C)CC4)C3)C2)cc1C ZINC000963853376 1325412949 /nfs/dbraw/zinc/41/29/49/1325412949.db2.gz WSFQFJWYTPQROP-UHFFFAOYSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)Cc3ccccn3)C2)cc1 ZINC000926613961 1327636036 /nfs/dbraw/zinc/63/60/36/1327636036.db2.gz WLAPPTKTFJQHOI-IAGOWNOFSA-N 1 0 325.456 3.137 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000862359656 1329477682 /nfs/dbraw/zinc/47/76/82/1329477682.db2.gz PKYAFOORRVQWJM-HNNXBMFYSA-N 1 0 326.234 3.157 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000862251039 1329471375 /nfs/dbraw/zinc/47/13/75/1329471375.db2.gz ZCUGXGITJFKKCL-NWDGAFQWSA-N 1 0 326.234 3.013 20 10 EGCDRO CC[C@]1(CO)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862333832 1329476018 /nfs/dbraw/zinc/47/60/18/1329476018.db2.gz WRLHNENWZVXPMB-HNNXBMFYSA-N 1 0 328.250 3.139 20 10 EGCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862352053 1329477033 /nfs/dbraw/zinc/47/70/33/1329477033.db2.gz XHHIBPATXOCVBC-NEPJUHHUSA-N 1 0 328.250 3.280 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000862387660 1329481146 /nfs/dbraw/zinc/48/11/46/1329481146.db2.gz PLAKWJMMYRPPRI-OAHLLOKOSA-N 1 0 326.234 3.157 20 10 EGCDRO CCOC(=O)CN(Cc1ccc2cc[nH]c2c1)Cc1ccccc1O ZINC000862398045 1329482970 /nfs/dbraw/zinc/48/29/70/1329482970.db2.gz VLXOHUJYCNRVOT-UHFFFAOYSA-N 1 0 338.407 3.439 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000862485547 1329490711 /nfs/dbraw/zinc/49/07/11/1329490711.db2.gz OYPZSISPSRCRGL-BBRMVZONSA-N 1 0 335.444 3.201 20 10 EGCDRO CCc1cccc(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)c1O ZINC000862538406 1329493813 /nfs/dbraw/zinc/49/38/13/1329493813.db2.gz ROJWYKSRRVBCJP-GOSISDBHSA-N 1 0 325.408 3.227 20 10 EGCDRO COc1cc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c(O)cc1C ZINC000863332844 1329547440 /nfs/dbraw/zinc/54/74/40/1329547440.db2.gz LEMIRJOZKSYPMW-ZDUSSCGKSA-N 1 0 338.448 3.054 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646939 1329570374 /nfs/dbraw/zinc/57/03/74/1329570374.db2.gz SDEAGKIADIXDAH-WBVHZDCISA-N 1 0 343.437 3.492 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c(O)c1C ZINC000866435771 1330111932 /nfs/dbraw/zinc/11/19/32/1330111932.db2.gz FXIBKLFLWPLPSJ-AAEUAGOBSA-N 1 0 328.338 3.055 20 10 EGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(S(C)(=O)=O)cc1 ZINC000866535460 1330123327 /nfs/dbraw/zinc/12/33/27/1330123327.db2.gz DPDLFAHZOFDVSJ-GUYCJALGSA-N 1 0 345.464 3.176 20 10 EGCDRO CCc1ccoc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000969839041 1336253054 /nfs/dbraw/zinc/25/30/54/1336253054.db2.gz DYRFOUGXIKPSJI-QGZVFWFLSA-N 1 0 342.439 3.163 20 10 EGCDRO Cc1cc(O)c(CN2C[C@@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206806229 1371175069 /nfs/dbraw/zinc/17/50/69/1371175069.db2.gz GICVWWZPKZHPKI-VXGBXAGGSA-N 1 0 327.266 3.022 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccoc3)C[C@@H]2C)cc1C ZINC001035917369 1343270859 /nfs/dbraw/zinc/27/08/59/1343270859.db2.gz YWBKXINWTCSKSW-MAUKXSAKSA-N 1 0 342.439 3.237 20 10 EGCDRO CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001036472285 1343503759 /nfs/dbraw/zinc/50/37/59/1343503759.db2.gz KIKQMMZZLNIWHW-ZFWWWQNUSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C2CCC2)cc1C ZINC001036920303 1343864432 /nfs/dbraw/zinc/86/44/32/1343864432.db2.gz MWTZFXNWVVNBCU-MSOLQXFVSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C=C2CCC2)cc1C ZINC001036982193 1343909238 /nfs/dbraw/zinc/90/92/38/1343909238.db2.gz JFYPYVQJFYPTDT-RBUKOAKNSA-N 1 0 342.483 3.488 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccoc3)[C@@H](C)C2)cc1C ZINC001044467361 1346341237 /nfs/dbraw/zinc/34/12/37/1346341237.db2.gz QDQXWKBHDSFCRZ-MAUKXSAKSA-N 1 0 342.439 3.380 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cccs2)cc1C ZINC001044908587 1346460516 /nfs/dbraw/zinc/46/05/16/1346460516.db2.gz WLXFMLWDWKJYBN-INIZCTEOSA-N 1 0 344.480 3.460 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@]2(C)C=CCC2)cc1C ZINC001045154448 1346507613 /nfs/dbraw/zinc/50/76/13/1346507613.db2.gz BNUVYFHCQVNHOP-RXVVDRJESA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C=C3CCC3)C2)cc1C ZINC001047798551 1347375945 /nfs/dbraw/zinc/37/59/45/1347375945.db2.gz ISHGXYCJHRHQGN-QFBILLFUSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC3(C)CC3)C[C@@H]2C)cc1C ZINC001054915951 1349512904 /nfs/dbraw/zinc/51/29/04/1349512904.db2.gz CJJLFDZKNRVIBO-DOTOQJQBSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)C3CC3)C[C@@H]2C)cc1C ZINC001054992780 1349542838 /nfs/dbraw/zinc/54/28/38/1349542838.db2.gz WGLGYOCRLXIFFO-MAUKXSAKSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)C(C)(C)F)C23CCC3)cc1C ZINC001078531884 1356999391 /nfs/dbraw/zinc/99/93/91/1356999391.db2.gz RZGGKVQRGDSJOJ-SJORKVTESA-N 1 0 348.462 3.269 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC001323828954 1387468436 /nfs/dbraw/zinc/46/84/36/1387468436.db2.gz DOTZODBMNOHSHH-KMFMINBZSA-N 1 0 345.414 3.418 20 10 EGCDRO C/C=C(/C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001093702529 1361680595 /nfs/dbraw/zinc/68/05/95/1361680595.db2.gz COZMWKJOXWKQFL-GNBMTPLNSA-N 1 0 330.472 3.154 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C=C(C)C)C3)cc1C ZINC001094848907 1361925278 /nfs/dbraw/zinc/92/52/78/1361925278.db2.gz ALDPTXLBAIYNOQ-FHWLQOOXSA-N 1 0 342.483 3.439 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H](C)C3CC3)C2)cc1C ZINC001100225936 1364050185 /nfs/dbraw/zinc/05/01/85/1364050185.db2.gz XMHLBVORYDFEIL-MXWWQKGMSA-N 1 0 330.472 3.034 20 10 EGCDRO CCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001103822070 1365798445 /nfs/dbraw/zinc/79/84/45/1365798445.db2.gz WJJHIPAKLHKXIO-SJLPKXTDSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C)cc1C ZINC001104515057 1366057325 /nfs/dbraw/zinc/05/73/25/1366057325.db2.gz SFDDVBNJVSMPNE-WLWJZTKJSA-N 1 0 344.499 3.234 20 10 EGCDRO CC(C)CNC(=O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001325117176 1387900813 /nfs/dbraw/zinc/90/08/13/1387900813.db2.gz IJSBTISCUYBNAG-UHFFFAOYSA-N 1 0 345.512 3.246 20 10 EGCDRO C[NH+]1CC2(CN(C(=O)c3ccccc3NN=C3C=CC(=O)C=C3)C2)C1 ZINC001195275803 1368411963 /nfs/dbraw/zinc/41/19/63/1368411963.db2.gz UUPIZBHCWFUONE-QZQOTICOSA-N 1 0 336.395 3.195 20 10 EGCDRO N=C(NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)SCC[NH3+] ZINC001195279459 1368412816 /nfs/dbraw/zinc/41/28/16/1368412816.db2.gz PUZLANOYTUMXSI-QZQOTICOSA-N 1 0 343.412 3.164 20 10 EGCDRO CCC1(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)COC1 ZINC001202968675 1369940882 /nfs/dbraw/zinc/94/08/82/1369940882.db2.gz JBKZXFDUIIXALJ-UHFFFAOYSA-N 1 0 344.377 3.134 20 10 EGCDRO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccc(N4CCCC4)cc1)(C3)C2 ZINC001325754054 1388041645 /nfs/dbraw/zinc/04/16/45/1388041645.db2.gz WACKTJQJDLNTHD-FWGXRIOKSA-N 1 0 326.484 3.460 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2ccccc2O)Cc2cn(CC3CC3)nc21 ZINC001203551499 1370166701 /nfs/dbraw/zinc/16/67/01/1370166701.db2.gz GAZWGWSAMLOQTH-SFHVURJKSA-N 1 0 341.455 3.135 20 10 EGCDRO CCOc1cccc(C[N@H+](C)CCCC(=O)c2cccnc2)c1O ZINC001203608971 1370186481 /nfs/dbraw/zinc/18/64/81/1370186481.db2.gz DAMRZVDPNFFSLP-UHFFFAOYSA-N 1 0 328.412 3.281 20 10 EGCDRO COc1ccc(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)c(O)c1 ZINC001203628588 1370193155 /nfs/dbraw/zinc/19/31/55/1370193155.db2.gz DGEFIHQODWGWLR-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO O=C1[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]2CN1c1ccsc1 ZINC001203657747 1370204620 /nfs/dbraw/zinc/20/46/20/1370204620.db2.gz FSBLBTBBPUURSN-WFASDCNBSA-N 1 0 348.855 3.202 20 10 EGCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203659669 1370206038 /nfs/dbraw/zinc/20/60/38/1370206038.db2.gz XHJMMSRROOLJGX-IRXDYDNUSA-N 1 0 325.836 3.063 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c1 ZINC001203675105 1370212703 /nfs/dbraw/zinc/21/27/03/1370212703.db2.gz MXEJKAKCKSXQNA-OAHLLOKOSA-N 1 0 335.350 3.332 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3nccc4ccccc43)CC2)c1 ZINC001203678607 1370214036 /nfs/dbraw/zinc/21/40/36/1370214036.db2.gz NYZNRXWHHIXVTL-UHFFFAOYSA-N 1 0 349.434 3.271 20 10 EGCDRO Oc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cc1O ZINC001203877206 1370297674 /nfs/dbraw/zinc/29/76/74/1370297674.db2.gz OOIYELWUBMPUEP-UZLBHIALSA-N 1 0 340.423 3.174 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)cc1 ZINC001203933785 1370320293 /nfs/dbraw/zinc/32/02/93/1370320293.db2.gz QNUPTRMWAZARQU-IBGZPJMESA-N 1 0 341.499 3.023 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)cc1 ZINC001203934344 1370321348 /nfs/dbraw/zinc/32/13/48/1370321348.db2.gz QYUXZCNRJABCKU-UHFFFAOYSA-N 1 0 329.488 3.023 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c2ccccc21 ZINC001204235062 1370418089 /nfs/dbraw/zinc/41/80/89/1370418089.db2.gz FMHLAZVSTGWNKX-KRWDZBQOSA-N 1 0 340.467 3.022 20 10 EGCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204242785 1370419731 /nfs/dbraw/zinc/41/97/31/1370419731.db2.gz RSUQTYMBBFJPRN-KRWDZBQOSA-N 1 0 339.483 3.206 20 10 EGCDRO Oc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(O)c1 ZINC001204277795 1370430374 /nfs/dbraw/zinc/43/03/74/1370430374.db2.gz AFKDBSDTCSPPRL-UHFFFAOYSA-N 1 0 332.831 3.069 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001204278902 1370430421 /nfs/dbraw/zinc/43/04/21/1370430421.db2.gz MMNOUKDMPSLXBN-QDMKHBRRSA-N 1 0 348.443 3.118 20 10 EGCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204328026 1370445725 /nfs/dbraw/zinc/44/57/25/1370445725.db2.gz AZVVCTRRORVMAG-IHPCNDPISA-N 1 0 342.483 3.450 20 10 EGCDRO COc1cc(C)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC001205453330 1370760552 /nfs/dbraw/zinc/76/05/52/1370760552.db2.gz CHSYMXZKBCDRGU-UHFFFAOYSA-N 1 0 331.334 3.053 20 10 EGCDRO COC(=O)C[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)CC(C)C ZINC001116257668 1370871153 /nfs/dbraw/zinc/87/11/53/1370871153.db2.gz SQZWDFCLYBSEDA-UHFFFAOYSA-N 1 0 331.412 3.185 20 10 EGCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001116444315 1370912954 /nfs/dbraw/zinc/91/29/54/1370912954.db2.gz XZJCIQVFDWXDLG-GOSISDBHSA-N 1 0 328.456 3.062 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCC[C@@H](C)C2)c2c1c(F)ccc2O ZINC001116589330 1370941923 /nfs/dbraw/zinc/94/19/23/1370941923.db2.gz UHBZUQWJZMIPDK-IPYPFGDCSA-N 1 0 334.435 3.318 20 10 EGCDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001206327476 1371023563 /nfs/dbraw/zinc/02/35/63/1371023563.db2.gz WXNBQIILKOIOJK-HNNXBMFYSA-N 1 0 345.256 3.245 20 10 EGCDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC001118801118 1371232549 /nfs/dbraw/zinc/23/25/49/1371232549.db2.gz MJDWTFYZUYYEJV-MRXNPFEDSA-N 1 0 347.256 3.431 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC001118994513 1371262826 /nfs/dbraw/zinc/26/28/26/1371262826.db2.gz WUNBNVZDPDKNPX-NTZNESFSSA-N 1 0 340.349 3.234 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c(OC)c1 ZINC001207632829 1371459281 /nfs/dbraw/zinc/45/92/81/1371459281.db2.gz TTZQUIWEWNDZOP-GVDBMIGSSA-N 1 0 328.456 3.038 20 10 EGCDRO CCOc1ccc(N2CC[NH+](C[C@H](CC)CCC(=O)OC)CC2)cc1 ZINC001208794713 1371898185 /nfs/dbraw/zinc/89/81/85/1371898185.db2.gz ZIXGGKBTHQYAIB-QGZVFWFLSA-N 1 0 348.487 3.187 20 10 EGCDRO CC(C)(C)OC(=O)NCCCCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001209376177 1372082459 /nfs/dbraw/zinc/08/24/59/1372082459.db2.gz RHSGLZXHLWNEQH-UHFFFAOYSA-N 1 0 334.460 3.445 20 10 EGCDRO C[NH+]1CCN(c2cccc(F)c2Nc2ccc3c(c2)OCCN3)CC1 ZINC001209789858 1372197760 /nfs/dbraw/zinc/19/77/60/1372197760.db2.gz SHYVOMBXMUKVTP-UHFFFAOYSA-N 1 0 342.418 3.125 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1C ZINC001130241092 1373478146 /nfs/dbraw/zinc/47/81/46/1373478146.db2.gz OOIWVYMMRDIGEZ-DLBZAZTESA-N 1 0 344.480 3.075 20 10 EGCDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001217991067 1373529063 /nfs/dbraw/zinc/52/90/63/1373529063.db2.gz JULVOLLIPFASMI-ORAYPTAESA-N 1 0 335.403 3.229 20 10 EGCDRO O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C(O[C@@H]2C[NH2+]C[C@@H]2F)=C1 ZINC001217998931 1373531211 /nfs/dbraw/zinc/53/12/11/1373531211.db2.gz BTDOXIDTKPSPAB-UTWKKMKISA-N 1 0 346.318 3.405 20 10 EGCDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001218031502 1373543510 /nfs/dbraw/zinc/54/35/10/1373543510.db2.gz PDNAEGCUCXQGLX-YJYMSZOUSA-N 1 0 335.403 3.229 20 10 EGCDRO CN(C)c1ccc(/C=C/C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001218996728 1373676603 /nfs/dbraw/zinc/67/66/03/1373676603.db2.gz NJPBKIAULGEZNU-OPGJMIRHSA-N 1 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KJBXSEGZVDSAQJ-UHFFFAOYSA-N 1 0 328.412 3.148 20 10 EGCDRO OCc1ccc2c(c1)CC[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141074566 1378232894 /nfs/dbraw/zinc/23/28/94/1378232894.db2.gz MIAPZZBJQCFOIJ-UHFFFAOYSA-N 1 0 348.490 3.436 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC[C@@]1(C)O ZINC001141074405 1378233117 /nfs/dbraw/zinc/23/31/17/1378233117.db2.gz HOMPTUWSEXXOLH-HRAATJIYSA-N 1 0 328.500 3.368 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC[C@]1(C)O ZINC001141074408 1378233128 /nfs/dbraw/zinc/23/31/28/1378233128.db2.gz HOMPTUWSEXXOLH-KKSFZXQISA-N 1 0 328.500 3.368 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)cc1 ZINC001141144751 1378248568 /nfs/dbraw/zinc/24/85/68/1378248568.db2.gz KDDUNVYUXIRUES-UHFFFAOYSA-N 1 0 325.456 3.213 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2cc(O)ccc2O)CC1 ZINC001141156945 1378253668 /nfs/dbraw/zinc/25/36/68/1378253668.db2.gz YMZAEWZETHRXAW-UHFFFAOYSA-N 1 0 348.443 3.073 20 10 EGCDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001141160997 1378254147 /nfs/dbraw/zinc/25/41/47/1378254147.db2.gz MMDATWHTIHCWJL-BETUJISGSA-N 1 0 333.391 3.128 20 10 EGCDRO Oc1ccc(O)c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161320 1378254311 /nfs/dbraw/zinc/25/43/11/1378254311.db2.gz DRNQXJUVBAVPLP-IEBWSBKVSA-N 1 0 338.451 3.052 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccnc4[nH]ccc43)CC2)c(C)c1 ZINC001142883537 1378503961 /nfs/dbraw/zinc/50/39/61/1378503961.db2.gz HQQHLOKINVETOW-UHFFFAOYSA-N 1 0 336.439 3.202 20 10 EGCDRO C[C@H](C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCC1 ZINC001146661897 1378892437 /nfs/dbraw/zinc/89/24/37/1378892437.db2.gz DGKDNVRECXMEPU-OLZOCXBDSA-N 1 0 345.447 3.136 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(C)cc(C)cc2C)cc1C ZINC001150170475 1379508790 /nfs/dbraw/zinc/50/87/90/1379508790.db2.gz SKAVMTVVKKXTEX-UHFFFAOYSA-N 1 0 340.467 3.448 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc3c2CCC3)cc1C ZINC001153246131 1380043132 /nfs/dbraw/zinc/04/31/32/1380043132.db2.gz LISVHQAXHSPPTE-UHFFFAOYSA-N 1 0 338.451 3.012 20 10 EGCDRO Cc1nc2ccccc2c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156656096 1380605292 /nfs/dbraw/zinc/60/52/92/1380605292.db2.gz ORBZCZZCTGIAIN-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[C@H]1CCC[NH2+]C1 ZINC001157431940 1380889512 /nfs/dbraw/zinc/88/95/12/1380889512.db2.gz BVFFKJKFIVEUAR-AUUYWEPGSA-N 1 0 330.472 3.138 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C12CCC([NH3+])(CC1)C2 ZINC001157435672 1380892203 /nfs/dbraw/zinc/89/22/03/1380892203.db2.gz VCRAASKWQVJLHL-MDMXATFFSA-N 1 0 342.483 3.410 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H](F)C2)cc1C ZINC001157809154 1381039492 /nfs/dbraw/zinc/03/94/92/1381039492.db2.gz MHEXHRQAEIEGCP-IAGOWNOFSA-N 1 0 336.451 3.128 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC(F)(F)C2)cc1C ZINC001159486743 1381805937 /nfs/dbraw/zinc/80/59/37/1381805937.db2.gz XXKTVORVUBWLRO-OAHLLOKOSA-N 1 0 340.414 3.035 20 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DDKDDFXTSSVBDN-LSDHHAIUSA-N 1 0 326.234 3.202 20 10 EGCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001172768212 1384847249 /nfs/dbraw/zinc/84/72/49/1384847249.db2.gz PQDYVKDQGAEMFH-QZTJIDSGSA-N 1 0 330.472 3.498 20 10 EGCDRO CCOc1ccc(N2CC[NH+]([C@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173147883 1384924413 /nfs/dbraw/zinc/92/44/13/1384924413.db2.gz ZXGHURKCFRXVFB-INIZCTEOSA-N 1 0 343.496 3.221 20 10 EGCDRO COc1cccc2c1C[C@@H]([N@H+](C)Cc1ccc(N(C)C)cc1)CO2 ZINC001173164072 1384928272 /nfs/dbraw/zinc/92/82/72/1384928272.db2.gz ABVQWPANJWGLIL-QGZVFWFLSA-N 1 0 326.440 3.197 20 10 EGCDRO Oc1ccc([C@H](O)C[NH2+]C2CCC(Oc3ccccc3)CC2)cc1O ZINC001173194601 1384934280 /nfs/dbraw/zinc/93/42/80/1384934280.db2.gz WHCIPAONZONZIJ-MKJPBZQASA-N 1 0 343.423 3.111 20 10 EGCDRO [NH3+]Cc1ccc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc1 ZINC001175970553 1385449276 /nfs/dbraw/zinc/44/92/76/1385449276.db2.gz CAUWZNHRWRRYAV-UHFFFAOYSA-N 1 0 344.370 3.370 20 10 EGCDRO C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001176792003 1385701482 /nfs/dbraw/zinc/70/14/82/1385701482.db2.gz NMZIUXCACSTVPR-ZDUSSCGKSA-N 1 0 345.447 3.137 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001178701540 1386283095 /nfs/dbraw/zinc/28/30/95/1386283095.db2.gz MPMCYGWQOADTNG-QAPCUYQASA-N 1 0 330.472 3.233 20 10 EGCDRO CCOc1ccc(N2CCN(C[C@H](O)c3ccccc3F)CC2)cc1 ZINC001320366627 1386589186 /nfs/dbraw/zinc/58/91/86/1386589186.db2.gz UEPOLMISBULUMH-FQEVSTJZSA-N 1 0 344.430 3.080 20 10 EGCDRO CCOc1ccc(N2CCN(C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC001320366630 1386589300 /nfs/dbraw/zinc/58/93/00/1386589300.db2.gz UEPOLMISBULUMH-HXUWFJFHSA-N 1 0 344.430 3.080 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC001320410675 1386603000 /nfs/dbraw/zinc/60/30/00/1386603000.db2.gz DZWBFAHBJSFYKZ-YOEHRIQHSA-N 1 0 338.451 3.441 20 10 EGCDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320508717 1386632028 /nfs/dbraw/zinc/63/20/28/1386632028.db2.gz HMSSIOWGVZOTML-HNNXBMFYSA-N 1 0 339.524 3.151 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1cc(Cl)ccc1O ZINC001320878878 1386745523 /nfs/dbraw/zinc/74/55/23/1386745523.db2.gz CXQLIFWYTJYRLP-JSGCOSHPSA-N 1 0 327.852 3.121 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC001321023542 1386786669 /nfs/dbraw/zinc/78/66/69/1386786669.db2.gz NNCHVNDPARTHMN-GOEBONIOSA-N 1 0 342.439 3.459 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC(=O)Nc1ccccn1 ZINC001321026606 1386787111 /nfs/dbraw/zinc/78/71/11/1386787111.db2.gz CFZNAMNHHCMYRD-KBPBESRZSA-N 1 0 325.412 3.262 20 10 EGCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCOc2ccccc21 ZINC001321350202 1386882273 /nfs/dbraw/zinc/88/22/73/1386882273.db2.gz NWZMCXIODGYUPI-NRFANRHFSA-N 1 0 338.451 3.047 20 10 EGCDRO O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1O ZINC001182039351 1387097981 /nfs/dbraw/zinc/09/79/81/1387097981.db2.gz ARYDXSOGYGNCHD-UHFFFAOYSA-N 1 0 338.451 3.311 20 10 EGCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC001322870074 1387250004 /nfs/dbraw/zinc/25/00/04/1387250004.db2.gz WTQMYYPQKQAWSY-CYBMUJFWSA-N 1 0 327.519 3.006 20 10 EGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC001329512725 1389137229 /nfs/dbraw/zinc/13/72/29/1389137229.db2.gz OBPCXBBVMBKRAE-NSHDSACASA-N 1 0 342.233 3.072 20 10 EGCDRO C[C@H]1C[C@H](CC[NH2+]Cc2c(O)cccc2Br)CCO1 ZINC001329723755 1389209889 /nfs/dbraw/zinc/20/98/89/1389209889.db2.gz XSHOWCYZIRUWEY-NWDGAFQWSA-N 1 0 328.250 3.450 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC(=O)NCCc1ccccc1 ZINC001337798313 1389446641 /nfs/dbraw/zinc/44/66/41/1389446641.db2.gz GDKMIPYABXZNDN-WBVHZDCISA-N 1 0 338.451 3.197 20 10 EGCDRO c1nnc([C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc2)[nH]1 ZINC001330533842 1389447204 /nfs/dbraw/zinc/44/72/04/1389447204.db2.gz RYXLPQXBUAMICW-FQEVSTJZSA-N 1 0 347.466 3.327 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c(O)c1 ZINC001330638747 1389479843 /nfs/dbraw/zinc/47/98/43/1389479843.db2.gz JPJVRVQCRMIVNU-UHFFFAOYSA-N 1 0 329.415 3.409 20 10 EGCDRO COc1cc(C[N@@H+](C)C2CCN(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC001330809979 1389534184 /nfs/dbraw/zinc/53/41/84/1389534184.db2.gz YJUPPPUDFPCXJT-UHFFFAOYSA-N 1 0 336.476 3.156 20 10 EGCDRO c1ccc(CO[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001331084471 1389625404 /nfs/dbraw/zinc/62/54/04/1389625404.db2.gz YRTHHVUTMGEEGJ-NRFANRHFSA-N 1 0 337.467 3.473 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@H](CO)CC2CCOCC2)cc1C ZINC001332395876 1390104625 /nfs/dbraw/zinc/10/46/25/1390104625.db2.gz NPGIQFLQYBRHJL-LJQANCHMSA-N 1 0 335.488 3.299 20 10 EGCDRO CCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(F)(F)F ZINC001341540183 1390499584 /nfs/dbraw/zinc/49/95/84/1390499584.db2.gz PZTNISOYKMMVJN-UHFFFAOYSA-N 1 0 347.400 3.352 20 10 EGCDRO FC(F)(F)COc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC001343989441 1390748741 /nfs/dbraw/zinc/74/87/41/1390748741.db2.gz HSAKFKFOGXOSAK-UHFFFAOYSA-N 1 0 338.329 3.247 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC001345031202 1390832042 /nfs/dbraw/zinc/83/20/42/1390832042.db2.gz YNNKDJAINFDLBE-OAQYLSRUSA-N 1 0 340.467 3.331 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(C)s2)cc1C ZINC001752857638 1440235022 /nfs/dbraw/zinc/23/50/22/1440235022.db2.gz SGPNQNWARGDSMM-CYBMUJFWSA-N 1 0 332.469 3.282 20 10 EGCDRO CC[C@H](C)C[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001753845295 1440504146 /nfs/dbraw/zinc/50/41/46/1440504146.db2.gz JAMAEOAEONFGNZ-BBRMVZONSA-N 1 0 347.463 3.239 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C(C)=C2CCC2)cc1C ZINC001753964774 1440526501 /nfs/dbraw/zinc/52/65/01/1440526501.db2.gz MZDIFRURUWIXPR-OAHLLOKOSA-N 1 0 330.472 3.488 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)ccc1OC ZINC000188965861 1126077333 /nfs/dbraw/zinc/07/73/33/1126077333.db2.gz MORSRSJBLRICNL-HXUWFJFHSA-N 1 0 343.467 3.233 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c(O)c1 ZINC000835072728 1126111493 /nfs/dbraw/zinc/11/14/93/1126111493.db2.gz HEZZQTCCDATKKN-SFHVURJKSA-N 1 0 329.440 3.101 20 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WBVSYTFALFLLQG-GOSISDBHSA-N 1 0 335.469 3.291 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](O)c1c(F)cccc1F ZINC000266295857 455426176 /nfs/dbraw/zinc/42/61/76/455426176.db2.gz LDTCAXSAGSNLQW-KBXCAEBGSA-N 1 0 337.366 3.281 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](O)c1c(F)cccc1F ZINC000266295860 455426267 /nfs/dbraw/zinc/42/62/67/455426267.db2.gz LDTCAXSAGSNLQW-RDTXWAMCSA-N 1 0 337.366 3.281 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000119550205 454203223 /nfs/dbraw/zinc/20/32/23/454203223.db2.gz ZYNWPCOGFYPGDV-UHFFFAOYSA-N 1 0 346.740 3.056 20 10 EGCDRO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C)c(C)cc1O ZINC000119554144 454204112 /nfs/dbraw/zinc/20/41/12/454204112.db2.gz GALOZVCFOZJSPJ-UHFFFAOYSA-N 1 0 342.439 3.478 20 10 EGCDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000132239188 454323268 /nfs/dbraw/zinc/32/32/68/454323268.db2.gz FJBXEYKLVTVYSN-QGZVFWFLSA-N 1 0 340.467 3.425 20 10 EGCDRO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090590213 454324773 /nfs/dbraw/zinc/32/47/73/454324773.db2.gz YGAZNIOJVAHBNU-ZBFHGGJFSA-N 1 0 338.467 3.110 20 10 EGCDRO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000121224859 454408005 /nfs/dbraw/zinc/40/80/05/454408005.db2.gz UJJONCBWWMYHBD-UHFFFAOYSA-N 1 0 344.842 3.394 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000121757681 454472658 /nfs/dbraw/zinc/47/26/58/454472658.db2.gz CEHGUXNJASESHL-QGZVFWFLSA-N 1 0 335.455 3.175 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000092149298 454528964 /nfs/dbraw/zinc/52/89/64/454528964.db2.gz GMSDCORHSIXHBW-UHFFFAOYSA-N 1 0 330.453 3.110 20 10 EGCDRO CCC(=O)N1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092186861 454532338 /nfs/dbraw/zinc/53/23/38/454532338.db2.gz PJLOLEQBUWISFQ-UHFFFAOYSA-N 1 0 329.488 3.121 20 10 EGCDRO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000123529412 454648746 /nfs/dbraw/zinc/64/87/46/454648746.db2.gz NXTZZFRACAAQOY-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO COCC[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000124431161 454730818 /nfs/dbraw/zinc/73/08/18/454730818.db2.gz ZPXCJSVCKCGJGS-ZDUSSCGKSA-N 1 0 328.403 3.271 20 10 EGCDRO CCCOc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(O)c1 ZINC000093741729 454731312 /nfs/dbraw/zinc/73/13/12/454731312.db2.gz YAEMOTBBDZFMEE-UHFFFAOYSA-N 1 0 346.471 3.158 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000124836448 454775064 /nfs/dbraw/zinc/77/50/64/454775064.db2.gz BHGBSMVCSZWGQE-FQEVSTJZSA-N 1 0 344.430 3.126 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000153423863 454791719 /nfs/dbraw/zinc/79/17/19/454791719.db2.gz BSHFWTNCAKMUBN-UHFFFAOYSA-N 1 0 330.403 3.299 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000177037199 454815535 /nfs/dbraw/zinc/81/55/35/454815535.db2.gz NSCZPPNSQIAQBH-LBPRGKRZSA-N 1 0 333.819 3.351 20 10 EGCDRO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153977616 454853422 /nfs/dbraw/zinc/85/34/22/454853422.db2.gz DBWBZRQYYYMFQK-LBPRGKRZSA-N 1 0 333.407 3.118 20 10 EGCDRO COc1ccc(-c2noc(CN(C)Cc3ccccc3O)n2)cc1 ZINC000111236121 454859179 /nfs/dbraw/zinc/85/91/79/454859179.db2.gz OIEOIYLOZLVFFT-UHFFFAOYSA-N 1 0 325.368 3.083 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](c3ccco3)N(C)C)CC2)cc1 ZINC000154094928 454865148 /nfs/dbraw/zinc/86/51/48/454865148.db2.gz HVBWEWDXYQHMMS-LJQANCHMSA-N 1 0 343.471 3.150 20 10 EGCDRO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000112583581 454891861 /nfs/dbraw/zinc/89/18/61/454891861.db2.gz WTRLMKVUYVYIRY-AWEZNQCLSA-N 1 0 328.412 3.250 20 10 EGCDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000168255245 454925631 /nfs/dbraw/zinc/92/56/31/454925631.db2.gz KLXXBKYIIXXCNI-SFHVURJKSA-N 1 0 345.531 3.438 20 10 EGCDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178225137 454943426 /nfs/dbraw/zinc/94/34/26/454943426.db2.gz GTEUUUBBSKCIJZ-KRWDZBQOSA-N 1 0 331.504 3.490 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1O ZINC000154969641 454948970 /nfs/dbraw/zinc/94/89/70/454948970.db2.gz FHMATTABJASYNM-ROUUACIJSA-N 1 0 344.455 3.408 20 10 EGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178723502 454969980 /nfs/dbraw/zinc/96/99/80/454969980.db2.gz JRMIGQRUSPVGEF-KGLIPLIRSA-N 1 0 346.450 3.116 20 10 EGCDRO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccc1-n1cncn1 ZINC000155185333 454971778 /nfs/dbraw/zinc/97/17/78/454971778.db2.gz BKUABKUYLQSEHT-UHFFFAOYSA-N 1 0 335.455 3.274 20 10 EGCDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151581154 455003913 /nfs/dbraw/zinc/00/39/13/455003913.db2.gz DJMWGTKSFCLXFI-IBGZPJMESA-N 1 0 334.504 3.190 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1cc(Br)ccc1O ZINC000127964524 455014272 /nfs/dbraw/zinc/01/42/72/455014272.db2.gz ZTCJCNUBDGEGIT-WSHAHDTKSA-N 1 0 348.306 3.353 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccccc1O ZINC000155595281 455020324 /nfs/dbraw/zinc/02/03/24/455020324.db2.gz ROHKWWIXGRJBJJ-CXAGYDPISA-N 1 0 348.468 3.102 20 10 EGCDRO COc1cccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1O ZINC000179879528 455093329 /nfs/dbraw/zinc/09/33/29/455093329.db2.gz OSJKHWVAQJJHDU-UHFFFAOYSA-N 1 0 325.408 3.496 20 10 EGCDRO O=C(C1CC1)N1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000119097892 455125132 /nfs/dbraw/zinc/12/51/32/455125132.db2.gz BIAWCAOPBTZTGC-UHFFFAOYSA-N 1 0 341.499 3.121 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccccc1O ZINC000156602498 455136801 /nfs/dbraw/zinc/13/68/01/455136801.db2.gz GKAJAJFPIIVDDA-QGZVFWFLSA-N 1 0 329.396 3.185 20 10 EGCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000156830874 455152479 /nfs/dbraw/zinc/15/24/79/455152479.db2.gz WBQPMCIVECXSPW-ROUUACIJSA-N 1 0 331.504 3.048 20 10 EGCDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000180481178 455178983 /nfs/dbraw/zinc/17/89/83/455178983.db2.gz RMCPEJRQHRPVNN-QGZVFWFLSA-N 1 0 345.439 3.183 20 10 EGCDRO CCOC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000189344953 455180962 /nfs/dbraw/zinc/18/09/62/455180962.db2.gz NCZUONPJVJNJBX-QAPCUYQASA-N 1 0 338.467 3.374 20 10 EGCDRO CC(C)N(C)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cn1 ZINC000190248305 455290351 /nfs/dbraw/zinc/29/03/51/455290351.db2.gz UJFXCYXLIPSVPW-RVDMUPIBSA-N 1 0 344.484 3.382 20 10 EGCDRO Cn1cccc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174621837 455407275 /nfs/dbraw/zinc/40/72/75/455407275.db2.gz LXODYZPVRXNOTJ-CQSZACIVSA-N 1 0 335.398 3.385 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184903853 455469358 /nfs/dbraw/zinc/46/93/58/455469358.db2.gz XXZZLWAOBGQFSR-XLIONFOSSA-N 1 0 340.467 3.425 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c(O)c1 ZINC000184904211 455469728 /nfs/dbraw/zinc/46/97/28/455469728.db2.gz NSUFZFKGJHBLLC-PXNSSMCTSA-N 1 0 340.467 3.425 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184903891 455469965 /nfs/dbraw/zinc/46/99/65/455469965.db2.gz XXZZLWAOBGQFSR-YLJYHZDGSA-N 1 0 340.467 3.425 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2O)N2CCOCC2)o1 ZINC000184909878 455470419 /nfs/dbraw/zinc/47/04/19/455470419.db2.gz MGHAOOIMJAOAFF-RHSMWYFYSA-N 1 0 348.418 3.157 20 10 EGCDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cc(F)ccc1O ZINC000185167075 455514812 /nfs/dbraw/zinc/51/48/12/455514812.db2.gz XAQFRUWYMSWQKB-ZDUSSCGKSA-N 1 0 337.416 3.046 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000185166762 455514923 /nfs/dbraw/zinc/51/49/23/455514923.db2.gz YAJOTMGGLFKBJW-HNNXBMFYSA-N 1 0 333.453 3.215 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185195690 455519654 /nfs/dbraw/zinc/51/96/54/455519654.db2.gz XFQVLIILLYGERD-MRXNPFEDSA-N 1 0 326.440 3.400 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NCc3cccc(OC)c3O)c2)CC1 ZINC000191886042 455529096 /nfs/dbraw/zinc/52/90/96/455529096.db2.gz JJYNDHSSFAFIJA-UHFFFAOYSA-N 1 0 341.455 3.155 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185374824 455550437 /nfs/dbraw/zinc/55/04/37/455550437.db2.gz YSKZPKNLUJXJRN-STQMWFEESA-N 1 0 337.366 3.069 20 10 EGCDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185377229 455550702 /nfs/dbraw/zinc/55/07/02/455550702.db2.gz VIGDEJUEMYSWPA-CQSZACIVSA-N 1 0 326.440 3.455 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c(O)c1 ZINC000284157976 455644981 /nfs/dbraw/zinc/64/49/81/455644981.db2.gz PPVKBMDHGJVWKN-MRXNPFEDSA-N 1 0 341.455 3.091 20 10 EGCDRO CO[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000284174942 455646682 /nfs/dbraw/zinc/64/66/82/455646682.db2.gz XZAGTZKUYTYTNP-NRFANRHFSA-N 1 0 340.467 3.343 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n(C)n1 ZINC000284341703 455671531 /nfs/dbraw/zinc/67/15/31/455671531.db2.gz MVJBKGQZYZEWSI-LLVKDONJSA-N 1 0 338.249 3.356 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268774839 455712281 /nfs/dbraw/zinc/71/22/81/455712281.db2.gz AXIBICDCFZFLJT-KFWWJZLASA-N 1 0 346.450 3.024 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190650 455712993 /nfs/dbraw/zinc/71/29/93/455712993.db2.gz WXAIAFKMVOBGHB-SJLPKXTDSA-N 1 0 338.451 3.400 20 10 EGCDRO COCCC[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268900308 455722841 /nfs/dbraw/zinc/72/28/41/455722841.db2.gz WLSRYAZMVZBKHV-JYJNAYRXSA-N 1 0 338.467 3.344 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000268904104 455724274 /nfs/dbraw/zinc/72/42/74/455724274.db2.gz PGLHCCZYLZKNJH-OXQOHEQNSA-N 1 0 342.487 3.185 20 10 EGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1Oc1ccccc1 ZINC000186275921 455731134 /nfs/dbraw/zinc/73/11/34/455731134.db2.gz YXAAUUOPCRTQFR-HOJAQTOUSA-N 1 0 343.423 3.115 20 10 EGCDRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(F)ccc1O ZINC000186347151 455748733 /nfs/dbraw/zinc/74/87/33/455748733.db2.gz ZIKMXHSNGYHGGB-ISWZSGDOSA-N 1 0 330.403 3.407 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000186358072 455750828 /nfs/dbraw/zinc/75/08/28/455750828.db2.gz SBTHEZJRSPVZAW-GPWPYBQESA-N 1 0 342.439 3.277 20 10 EGCDRO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000292767065 455752018 /nfs/dbraw/zinc/75/20/18/455752018.db2.gz JHCQOSRGNVRYDE-KDOFPFPSSA-N 1 0 342.414 3.325 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284910047 455761145 /nfs/dbraw/zinc/76/11/45/455761145.db2.gz CPCRTWGFRCZLQE-HNNXBMFYSA-N 1 0 343.423 3.412 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nc(N2CCCC2)n1 ZINC000293651124 455793225 /nfs/dbraw/zinc/79/32/25/455793225.db2.gz LGWRVYPMKNVMRZ-MRXNPFEDSA-N 1 0 339.487 3.302 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000285136944 455794037 /nfs/dbraw/zinc/79/40/37/455794037.db2.gz OLNUHQHWJBRKPJ-GFCCVEGCSA-N 1 0 337.416 3.176 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000278240595 455795138 /nfs/dbraw/zinc/79/51/38/455795138.db2.gz LKVWFZJEURIKEE-DOMZBBRYSA-N 1 0 338.423 3.409 20 10 EGCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293930256 455801430 /nfs/dbraw/zinc/80/14/30/455801430.db2.gz XXUNQQMOBAYLOJ-KSSFIOAISA-N 1 0 345.439 3.410 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278489967 455837457 /nfs/dbraw/zinc/83/74/57/455837457.db2.gz LKNHNORIMGZZDZ-UHFFFAOYSA-N 1 0 343.515 3.364 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C2(CO)CCOCC2)cc1 ZINC000295245189 455843456 /nfs/dbraw/zinc/84/34/56/455843456.db2.gz TUBKBVUZCUZZHE-UHFFFAOYSA-N 1 0 346.496 3.016 20 10 EGCDRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(O)cccc3Cl)nc2)C1 ZINC000269511769 455849388 /nfs/dbraw/zinc/84/93/88/455849388.db2.gz OQCAWMPUBZLXTP-CQSZACIVSA-N 1 0 346.862 3.193 20 10 EGCDRO COc1c([O-])c(C[NH2+]CCc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000278838050 455850766 /nfs/dbraw/zinc/85/07/66/455850766.db2.gz JNPHVWURCPEWAC-UHFFFAOYSA-N 1 0 342.804 3.356 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C[C@H]3CCOC3)C3CC3)cc2)CC1 ZINC000295507664 455851298 /nfs/dbraw/zinc/85/12/98/455851298.db2.gz LFOCJDOERRBQFO-GOSISDBHSA-N 1 0 344.499 3.303 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(OC)C3)cc2)CC1 ZINC000295904613 455862510 /nfs/dbraw/zinc/86/25/10/455862510.db2.gz FGVDXXIWZJYZNV-HXUWFJFHSA-N 1 0 332.488 3.303 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1O ZINC000279665255 455870522 /nfs/dbraw/zinc/87/05/22/455870522.db2.gz GVFVTEWYJBRAMM-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000279664578 455870592 /nfs/dbraw/zinc/87/05/92/455870592.db2.gz DUDSWRGGLXGGFF-UTKZUKDTSA-N 1 0 340.467 3.389 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279726727 455871038 /nfs/dbraw/zinc/87/10/38/455871038.db2.gz MYRBULZSOCBGIN-FQEVSTJZSA-N 1 0 341.499 3.262 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c(C(F)(F)F)c1 ZINC000279834403 455874565 /nfs/dbraw/zinc/87/45/65/455874565.db2.gz HCIDSHJDAZWJEH-MLGOLLRUSA-N 1 0 330.394 3.412 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCn2cccn2)c(C(F)(F)F)c1 ZINC000280055381 455882351 /nfs/dbraw/zinc/88/23/51/455882351.db2.gz WKNARWVGSVZVGO-UHFFFAOYSA-N 1 0 326.366 3.148 20 10 EGCDRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cc(Cl)ccc1O ZINC000285662465 455891877 /nfs/dbraw/zinc/89/18/77/455891877.db2.gz MKRYWAYCDCGGIG-SECBINFHSA-N 1 0 344.640 3.355 20 10 EGCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1C1CCCCC1 ZINC000296349119 455914883 /nfs/dbraw/zinc/91/48/83/455914883.db2.gz HIVOFBKOXKYUGH-IAGOWNOFSA-N 1 0 328.456 3.293 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000270325473 455929119 /nfs/dbraw/zinc/92/91/19/455929119.db2.gz LUNQEAHRTRSLCL-KRWDZBQOSA-N 1 0 329.488 3.025 20 10 EGCDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296624443 455992517 /nfs/dbraw/zinc/99/25/17/455992517.db2.gz ZLNOTOHPTPIFCE-IAGOWNOFSA-N 1 0 337.423 3.276 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]CCCOCCOCc2ccccc2)c1 ZINC000272578817 456000894 /nfs/dbraw/zinc/00/08/94/456000894.db2.gz PJVRPMRGHULGOM-UHFFFAOYSA-N 1 0 329.440 3.414 20 10 EGCDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000262504927 456040573 /nfs/dbraw/zinc/04/05/73/456040573.db2.gz JKRQSDHSTSJZSU-UHFFFAOYSA-N 1 0 331.847 3.229 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1 ZINC000287264921 456065549 /nfs/dbraw/zinc/06/55/49/456065549.db2.gz IQZUJKXAKYIHIX-HOTGVXAUSA-N 1 0 342.439 3.362 20 10 EGCDRO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287584196 456072613 /nfs/dbraw/zinc/07/26/13/456072613.db2.gz HQLTZHGYSCLIMG-CJNGLKHVSA-N 1 0 328.884 3.443 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H](CC)[C@H](O)C(F)(F)F)ccc1OC ZINC000270972457 456082198 /nfs/dbraw/zinc/08/21/98/456082198.db2.gz JRKMYAFVTHONCD-ZFWWWQNUSA-N 1 0 335.366 3.023 20 10 EGCDRO COC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000270999640 456092638 /nfs/dbraw/zinc/09/26/38/456092638.db2.gz KRCXORNAIGHEOH-UHFFFAOYSA-N 1 0 325.408 3.444 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCCn2cc(Br)cn2)cc1C ZINC000288367728 456094078 /nfs/dbraw/zinc/09/40/78/456094078.db2.gz DTYWVHOFNLBANY-UHFFFAOYSA-N 1 0 338.249 3.148 20 10 EGCDRO COc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c1O ZINC000288443702 456096059 /nfs/dbraw/zinc/09/60/59/456096059.db2.gz MFKIIMWBIIIEGA-YJBOKZPZSA-N 1 0 326.440 3.153 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccncc1 ZINC000271064430 456117078 /nfs/dbraw/zinc/11/70/78/456117078.db2.gz IHSARWBRZCJVBX-INIZCTEOSA-N 1 0 325.456 3.141 20 10 EGCDRO OCCCC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000272942808 456119346 /nfs/dbraw/zinc/11/93/46/456119346.db2.gz MOIMITXACKKUJP-UHFFFAOYSA-N 1 0 328.250 3.139 20 10 EGCDRO COC[C@]1(C[NH2+][C@@H](C)c2cc(F)ccc2O)OCCc2ccccc21 ZINC000289802802 456143854 /nfs/dbraw/zinc/14/38/54/456143854.db2.gz OBFDESDAVJQSMA-XOBRGWDASA-N 1 0 345.414 3.297 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCNc3cc(C)ccn3)CC2)cc1 ZINC000301616370 456163549 /nfs/dbraw/zinc/16/35/49/456163549.db2.gz AEKUINQMCQVZPK-UHFFFAOYSA-N 1 0 340.471 3.023 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCn1cc(Br)cn1)CC2 ZINC000297340827 456191296 /nfs/dbraw/zinc/19/12/96/456191296.db2.gz OMPJLVMUVZADRD-ZDUSSCGKSA-N 1 0 336.233 3.018 20 10 EGCDRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000236885948 456197188 /nfs/dbraw/zinc/19/71/88/456197188.db2.gz OCLTXHQXICKFKP-UHFFFAOYSA-N 1 0 341.455 3.171 20 10 EGCDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000236895258 456199560 /nfs/dbraw/zinc/19/95/60/456199560.db2.gz WWRPTKQTZRWVFU-UHFFFAOYSA-N 1 0 345.487 3.387 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c(O)c1C ZINC000273300218 456222052 /nfs/dbraw/zinc/22/20/52/456222052.db2.gz BDWWTZKQHFEVNL-AWEZNQCLSA-N 1 0 348.468 3.231 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c(O)c1C ZINC000273464947 456232632 /nfs/dbraw/zinc/23/26/32/456232632.db2.gz DMPGWPMEDLKGHU-OAHLLOKOSA-N 1 0 347.480 3.404 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1C ZINC000273546864 456238052 /nfs/dbraw/zinc/23/80/52/456238052.db2.gz ZPKKIGLVHZPWSJ-TZMCWYRMSA-N 1 0 344.377 3.213 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1F ZINC000274384405 456257692 /nfs/dbraw/zinc/25/76/92/456257692.db2.gz HAYYGUAHOSRUTN-UHFFFAOYSA-N 1 0 328.431 3.375 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1C ZINC000274442155 456258588 /nfs/dbraw/zinc/25/85/88/456258588.db2.gz PARLKAGTLLGWHS-UHFFFAOYSA-N 1 0 326.440 3.319 20 10 EGCDRO CN(C)c1ccc(CN(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290501416 456347115 /nfs/dbraw/zinc/34/71/15/456347115.db2.gz PCYLUYMPQRWUFF-UHFFFAOYSA-N 1 0 327.472 3.442 20 10 EGCDRO CC(C)(CO)[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000290814554 456436237 /nfs/dbraw/zinc/43/62/37/456436237.db2.gz GJMGLAHIYILJEW-CQSZACIVSA-N 1 0 328.250 3.041 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1 ZINC000282303206 456470842 /nfs/dbraw/zinc/47/08/42/456470842.db2.gz JWATXRQZQYMIKX-NRFANRHFSA-N 1 0 340.467 3.293 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291153028 456547062 /nfs/dbraw/zinc/54/70/62/456547062.db2.gz ZTESDKLZYXQAFI-AWEZNQCLSA-N 1 0 325.412 3.163 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000283694812 456825477 /nfs/dbraw/zinc/82/54/77/456825477.db2.gz RJGFJEOKBPULSD-QAPCUYQASA-N 1 0 345.487 3.187 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000283743882 456834093 /nfs/dbraw/zinc/83/40/93/456834093.db2.gz IYJVBDFGNVRDKB-ZWKOTPCHSA-N 1 0 345.487 3.331 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000349081677 456895889 /nfs/dbraw/zinc/89/58/89/456895889.db2.gz ORLQALHNPYSHSU-UHFFFAOYSA-N 1 0 344.503 3.405 20 10 EGCDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000378497462 457404149 /nfs/dbraw/zinc/40/41/49/457404149.db2.gz PYZWYCRVSORLGN-LJQANCHMSA-N 1 0 330.472 3.395 20 10 EGCDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2ccccc2O)C1 ZINC000374648145 457680017 /nfs/dbraw/zinc/68/00/17/457680017.db2.gz VYFWWSPZLPRUIY-UHFFFAOYSA-N 1 0 326.440 3.133 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000374994927 457747946 /nfs/dbraw/zinc/74/79/46/457747946.db2.gz BNZLLGAWNGTRNF-CHWSQXEVSA-N 1 0 340.261 3.322 20 10 EGCDRO c1cc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)ccn1 ZINC000367659567 457969234 /nfs/dbraw/zinc/96/92/34/457969234.db2.gz VYHUACSOWUGIBK-UHFFFAOYSA-N 1 0 337.467 3.298 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2cnc3n2CCCC3)ccc1OC ZINC000376729063 458376916 /nfs/dbraw/zinc/37/69/16/458376916.db2.gz NKMWZKNJFMSIEQ-UHFFFAOYSA-N 1 0 329.444 3.054 20 10 EGCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000423249782 458430402 /nfs/dbraw/zinc/43/04/02/458430402.db2.gz UCBZNWPDRNUWGF-UHFFFAOYSA-N 1 0 332.831 3.387 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000377249555 458494071 /nfs/dbraw/zinc/49/40/71/458494071.db2.gz KTNNPQKMHGSBAM-ZDUSSCGKSA-N 1 0 340.261 3.403 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000738343504 574592128 /nfs/dbraw/zinc/59/21/28/574592128.db2.gz NFQIPAYIEBGQPK-UHFFFAOYSA-N 1 0 329.488 3.025 20 10 EGCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)c3ccc(F)c(F)c3)ccc21 ZINC000727643947 574680199 /nfs/dbraw/zinc/68/01/99/574680199.db2.gz QXKVAOCFTCNSOG-LJQANCHMSA-N 1 0 332.394 3.170 20 10 EGCDRO CC1(C)CN(C2(C[NH2+]Cc3ccccc3O)CCCCC2)CCO1 ZINC000731218660 575059793 /nfs/dbraw/zinc/05/97/93/575059793.db2.gz YPTOMNGLPGVQCL-UHFFFAOYSA-N 1 0 332.488 3.296 20 10 EGCDRO O=C(C1=CC(=O)CS1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000732273170 575251909 /nfs/dbraw/zinc/25/19/09/575251909.db2.gz KYCPFHJVJVFRIF-UHFFFAOYSA-N 1 0 342.464 3.117 20 10 EGCDRO CC(C)[C@@H](C(=O)NCCCSc1nccs1)[NH+]1CCCCC1 ZINC000733974661 575417044 /nfs/dbraw/zinc/41/70/44/575417044.db2.gz HZBPVPCAPQHCRO-AWEZNQCLSA-N 1 0 341.546 3.252 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736481081 575973015 /nfs/dbraw/zinc/97/30/15/575973015.db2.gz SQUHVEYAVMBPKV-UHFFFAOYSA-N 1 0 341.390 3.124 20 10 EGCDRO CCc1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[nH]n1 ZINC000738430004 576325012 /nfs/dbraw/zinc/32/50/12/576325012.db2.gz CZRIHTHRLBBGAV-UHFFFAOYSA-N 1 0 343.431 3.160 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741257816 576669331 /nfs/dbraw/zinc/66/93/31/576669331.db2.gz ZJPONUNUKLBDSF-UWJYYQICSA-N 1 0 340.467 3.080 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1C ZINC000742367727 576774258 /nfs/dbraw/zinc/77/42/58/576774258.db2.gz GVOYZLPFDXLKRY-GOSISDBHSA-N 1 0 326.440 3.318 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820432331 599393020 /nfs/dbraw/zinc/39/30/20/599393020.db2.gz NXSJEEYPEIYONX-HNNXBMFYSA-N 1 0 348.454 3.318 20 10 EGCDRO COc1cc(NCc2c(C)cccc2O)ccc1OCC[NH+](C)C ZINC000877594416 1299421154 /nfs/dbraw/zinc/42/11/54/1299421154.db2.gz SYDYDGQMBTXNSU-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000051588423 1291680978 /nfs/dbraw/zinc/68/09/78/1291680978.db2.gz YDYBDXHZEQCLMP-UHFFFAOYSA-N 1 0 329.400 3.301 20 10 EGCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000054511068 1291753709 /nfs/dbraw/zinc/75/37/09/1291753709.db2.gz JWOHYJLDRDVWOJ-SFHVURJKSA-N 1 0 346.519 3.064 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000066701287 1292127512 /nfs/dbraw/zinc/12/75/12/1292127512.db2.gz NCDVPVVGWMKQED-IRXDYDNUSA-N 1 0 347.503 3.434 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c1O ZINC000827762276 1292368579 /nfs/dbraw/zinc/36/85/79/1292368579.db2.gz FKPSVWJDHFAZLO-UHFFFAOYSA-N 1 0 339.439 3.164 20 10 EGCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000827821170 1292381238 /nfs/dbraw/zinc/38/12/38/1292381238.db2.gz QTYULBDFDIEIJT-HNAYVOBHSA-N 1 0 329.488 3.070 20 10 EGCDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828493069 1292467464 /nfs/dbraw/zinc/46/74/64/1292467464.db2.gz ZQWKUBWUVDPRQI-HXUWFJFHSA-N 1 0 343.515 3.286 20 10 EGCDRO Cc1cc(C[N@@H+](C)CCNC(=O)C(C)C)ccc1N1CCCCC1 ZINC000828588923 1292478683 /nfs/dbraw/zinc/47/86/83/1292478683.db2.gz CUCKNGOQKVNTIP-UHFFFAOYSA-N 1 0 331.504 3.189 20 10 EGCDRO CN(C)C(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)[nH]1 ZINC000093319237 1292916667 /nfs/dbraw/zinc/91/66/67/1292916667.db2.gz MDIWGVTUFWPQPG-UHFFFAOYSA-N 1 0 341.455 3.367 20 10 EGCDRO Cc1cc(Cl)ccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266869 1292978518 /nfs/dbraw/zinc/97/85/18/1292978518.db2.gz KFEWNIUIABVEMO-KRWDZBQOSA-N 1 0 331.847 3.144 20 10 EGCDRO CC(C)CC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCCC1 ZINC000832265942 1292978932 /nfs/dbraw/zinc/97/89/32/1292978932.db2.gz CCMIKDWRRKRWFJ-SFHVURJKSA-N 1 0 331.504 3.475 20 10 EGCDRO C[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000832272700 1292979367 /nfs/dbraw/zinc/97/93/67/1292979367.db2.gz JFGBGCOINHOZOP-LIRRHRJNSA-N 1 0 343.446 3.202 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](c2ccccc2)C2CC2)cc1 ZINC000832267473 1292979395 /nfs/dbraw/zinc/97/93/95/1292979395.db2.gz SWORDCJHLAFIKH-PMACEKPBSA-N 1 0 337.467 3.062 20 10 EGCDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000832274852 1292980895 /nfs/dbraw/zinc/98/08/95/1292980895.db2.gz ZXNKNLZLAJQZSY-FZKQIMNGSA-N 1 0 345.874 3.326 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1ccccc1C ZINC000104188938 1293019787 /nfs/dbraw/zinc/01/97/87/1293019787.db2.gz CUHRPVIMNUIYGG-KRWDZBQOSA-N 1 0 325.456 3.084 20 10 EGCDRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c(C)n1-c1ccccn1 ZINC000104412801 1293023414 /nfs/dbraw/zinc/02/34/14/1293023414.db2.gz CXCHILRSOQNEEB-KRWDZBQOSA-N 1 0 340.471 3.045 20 10 EGCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000111881217 1293112241 /nfs/dbraw/zinc/11/22/41/1293112241.db2.gz LQJYGTPLPNWZPT-INIZCTEOSA-N 1 0 347.503 3.434 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000111883037 1293112726 /nfs/dbraw/zinc/11/27/26/1293112726.db2.gz BVSUEINPTMKGOE-LJQANCHMSA-N 1 0 346.519 3.159 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)CC2 ZINC000834692478 1293132955 /nfs/dbraw/zinc/13/29/55/1293132955.db2.gz CDJUZDMKPSWJMQ-LBPRGKRZSA-N 1 0 338.329 3.462 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)c(C)n1-c1cccc(C)c1 ZINC000834829453 1293154871 /nfs/dbraw/zinc/15/48/71/1293154871.db2.gz BNEAPPBIQFUYHU-INIZCTEOSA-N 1 0 335.398 3.115 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000834882993 1293163503 /nfs/dbraw/zinc/16/35/03/1293163503.db2.gz FWKBOWNCKMVPIZ-HNNXBMFYSA-N 1 0 346.496 3.397 20 10 EGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834915341 1293175952 /nfs/dbraw/zinc/17/59/52/1293175952.db2.gz XMQNNOONLOUWQA-POZUXBRTSA-N 1 0 336.451 3.271 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000115629662 1293192695 /nfs/dbraw/zinc/19/26/95/1293192695.db2.gz WXLSEHCGHZYGKD-UHFFFAOYSA-N 1 0 339.483 3.187 20 10 EGCDRO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000119799559 1293288408 /nfs/dbraw/zinc/28/84/08/1293288408.db2.gz QCEXYWVPZQJGCA-UHFFFAOYSA-N 1 0 344.455 3.342 20 10 EGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121240811 1293361626 /nfs/dbraw/zinc/36/16/26/1293361626.db2.gz IDJUAMHXZADNNR-NSHDSACASA-N 1 0 336.233 3.257 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000122673649 1293420943 /nfs/dbraw/zinc/42/09/43/1293420943.db2.gz IUCYBQHBKLOTCA-UHFFFAOYSA-N 1 0 329.410 3.177 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000152034646 1293951203 /nfs/dbraw/zinc/95/12/03/1293951203.db2.gz HMEFGQNGHDYZIQ-HZPDHXFCSA-N 1 0 346.471 3.207 20 10 EGCDRO CCCCCNC(=O)C1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000153021958 1293996403 /nfs/dbraw/zinc/99/64/03/1293996403.db2.gz YAYRRRQJPVHOJZ-UHFFFAOYSA-N 1 0 348.487 3.309 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccccc3Cl)C1)OCO2 ZINC000155201027 1294088723 /nfs/dbraw/zinc/08/87/23/1294088723.db2.gz SWYMUSGNQOADKG-CYBMUJFWSA-N 1 0 347.798 3.428 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000155209699 1294088756 /nfs/dbraw/zinc/08/87/56/1294088756.db2.gz RNCURGPYWOIPCM-LJQANCHMSA-N 1 0 326.440 3.280 20 10 EGCDRO CC[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccccc1O ZINC000156525891 1294146868 /nfs/dbraw/zinc/14/68/68/1294146868.db2.gz WUFPMTMOMDMSQR-QGZVFWFLSA-N 1 0 330.403 3.392 20 10 EGCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000156738495 1294157396 /nfs/dbraw/zinc/15/73/96/1294157396.db2.gz RHTSAWQKKPJMOU-IRXDYDNUSA-N 1 0 349.494 3.187 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000157353687 1294175625 /nfs/dbraw/zinc/17/56/25/1294175625.db2.gz HHSIYSUFGMXLRN-IBGZPJMESA-N 1 0 328.460 3.138 20 10 EGCDRO CC[C@@H]([NH2+]C[C@]1(OC)CCOC1)c1cc(Br)ccc1O ZINC000160086928 1294256850 /nfs/dbraw/zinc/25/68/50/1294256850.db2.gz ACGKWNFAIRFLGJ-UKRRQHHQSA-N 1 0 344.249 3.001 20 10 EGCDRO C[N@H+](Cc1cccc(F)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000160463506 1294268483 /nfs/dbraw/zinc/26/84/83/1294268483.db2.gz AFEFNLKEAYUESH-UHFFFAOYSA-N 1 0 332.394 3.433 20 10 EGCDRO COc1cc(C[N@H+](C)CCCn2ccnc2)c(O)c(C(C)(C)C)c1 ZINC000164525482 1294348815 /nfs/dbraw/zinc/34/88/15/1294348815.db2.gz PGRAFBNQGQPPGC-UHFFFAOYSA-N 1 0 331.460 3.417 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000171743982 1294416011 /nfs/dbraw/zinc/41/60/11/1294416011.db2.gz SQAVRHMRNKKFHL-CYBMUJFWSA-N 1 0 349.475 3.024 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1F ZINC000172799652 1294444968 /nfs/dbraw/zinc/44/49/68/1294444968.db2.gz CODYJXGUUKIEER-UHFFFAOYSA-N 1 0 349.494 3.409 20 10 EGCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177354183 1294666294 /nfs/dbraw/zinc/66/62/94/1294666294.db2.gz NHYPMMAWPUGJPT-CQSZACIVSA-N 1 0 338.879 3.412 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000177963796 1294705631 /nfs/dbraw/zinc/70/56/31/1294705631.db2.gz SPQVURHKCHXEMV-QGZVFWFLSA-N 1 0 339.483 3.440 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)OCc2ccccc2)c1 ZINC000181507230 1294975797 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OC1CCN(c2ccc(C[N@H+]3CC=C(C(F)(F)F)CC3)cc2)CC1 ZINC000876763589 1298969013 /nfs/dbraw/zinc/96/90/13/1298969013.db2.gz KVWOCMWDIKUTHA-UHFFFAOYSA-N 1 0 340.389 3.342 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877015298 1299115126 /nfs/dbraw/zinc/11/51/26/1299115126.db2.gz KTYQSVLHCBLHGI-HNNXBMFYSA-N 1 0 334.460 3.437 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCOC3CCCCCC3)cc2)CC1 ZINC000877035992 1299125546 /nfs/dbraw/zinc/12/55/46/1299125546.db2.gz LIDHHYCVQSLBNP-UHFFFAOYSA-N 1 0 346.515 3.477 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)c(O)c1 ZINC000877038425 1299126577 /nfs/dbraw/zinc/12/65/77/1299126577.db2.gz PFCRQIPVESKTPR-OAHLLOKOSA-N 1 0 330.815 3.249 20 10 EGCDRO CN(C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1ccc(N)cc1 ZINC000877077285 1299147460 /nfs/dbraw/zinc/14/74/60/1299147460.db2.gz BMIYHGUEXBHUNU-SFHVURJKSA-N 1 0 327.403 3.035 20 10 EGCDRO Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877167600 1299190573 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1303814887 /nfs/dbraw/zinc/81/48/87/1303814887.db2.gz MJWOABZZPWLFST-FZKQIMNGSA-N 1 0 345.874 3.153 20 10 EGCDRO COc1c(O)c(C[NH2+][C@@H]2CSc3ccccc32)ccc1[N+](=O)[O-] ZINC000775029294 1303891886 /nfs/dbraw/zinc/89/18/86/1303891886.db2.gz ZXLWZCUMVDZBCO-GFCCVEGCSA-N 1 0 332.381 3.246 20 10 EGCDRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000775416098 1303961696 /nfs/dbraw/zinc/96/16/96/1303961696.db2.gz FBMILMFNWUQTOM-OAHLLOKOSA-N 1 0 328.435 3.499 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1cc(Cl)ccc1O ZINC000775508700 1303976213 /nfs/dbraw/zinc/97/62/13/1303976213.db2.gz FOQAMOMKENTLTK-CJNGLKHVSA-N 1 0 326.868 3.055 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(Cl)ccc1O ZINC000775533163 1303979754 /nfs/dbraw/zinc/97/97/54/1303979754.db2.gz MTPKCGSLTSCFBY-KRWDZBQOSA-N 1 0 346.858 3.445 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000775665051 1304009649 /nfs/dbraw/zinc/00/96/49/1304009649.db2.gz XOZWNPCFRPNTGT-HNNXBMFYSA-N 1 0 334.460 3.437 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCCCC2(C)C)cc1 ZINC000775683401 1304014696 /nfs/dbraw/zinc/01/46/96/1304014696.db2.gz RMWNWAZQYNOJCM-GOSISDBHSA-N 1 0 331.504 3.269 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000775830664 1304045749 /nfs/dbraw/zinc/04/57/49/1304045749.db2.gz MHTZYYVMQBIPML-VVLHAWIVSA-N 1 0 331.504 3.296 20 10 EGCDRO CCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775834940 1304046602 /nfs/dbraw/zinc/04/66/02/1304046602.db2.gz WKYZWQAYXGHBIL-AWEZNQCLSA-N 1 0 345.512 3.344 20 10 EGCDRO Fc1cc(C[NH2+]CC2Cc3ccccc3C2)ccc1N1CCOCC1 ZINC000776175756 1304107067 /nfs/dbraw/zinc/10/70/67/1304107067.db2.gz ZWYVVLSUFBDDLF-UHFFFAOYSA-N 1 0 340.442 3.167 20 10 EGCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1(C)C ZINC000776229715 1304117690 /nfs/dbraw/zinc/11/76/90/1304117690.db2.gz ATWKERXCCDXZNY-STQMWFEESA-N 1 0 328.250 3.366 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000776254461 1304122181 /nfs/dbraw/zinc/12/21/81/1304122181.db2.gz WSTFUIQFBCIOCY-HNNXBMFYSA-N 1 0 341.329 3.243 20 10 EGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000776292302 1304129760 /nfs/dbraw/zinc/12/97/60/1304129760.db2.gz DZODALYPMPKLGR-GOSISDBHSA-N 1 0 334.419 3.384 20 10 EGCDRO Cc1cccc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)c1O ZINC000777460736 1304300360 /nfs/dbraw/zinc/30/03/60/1304300360.db2.gz ZIQSTKJGKLHRNO-UHFFFAOYSA-N 1 0 334.423 3.359 20 10 EGCDRO CC(C)c1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000777511105 1304306395 /nfs/dbraw/zinc/30/63/95/1304306395.db2.gz BSPHSLNQWZRDNZ-UHFFFAOYSA-N 1 0 331.489 3.025 20 10 EGCDRO CNC(=O)c1ccc(C[N@H+](Cc2cc(F)ccc2O)C2CC2)cc1 ZINC000778996826 1304516004 /nfs/dbraw/zinc/51/60/04/1304516004.db2.gz UAILOLDCUPTJAS-UHFFFAOYSA-N 1 0 328.387 3.056 20 10 EGCDRO CCN(CC)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779005785 1304517246 /nfs/dbraw/zinc/51/72/46/1304517246.db2.gz KRSRRCKXNHNTJL-LBPRGKRZSA-N 1 0 329.282 3.456 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)ccc1N1CCOCC1 ZINC000779189811 1304539959 /nfs/dbraw/zinc/53/99/59/1304539959.db2.gz BDYHCYKKQJUVFV-GOSISDBHSA-N 1 0 348.462 3.053 20 10 EGCDRO CN(C(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000779224486 1304544113 /nfs/dbraw/zinc/54/41/13/1304544113.db2.gz DVLYXMLVTWPZCO-LUAWRHEFSA-N 1 0 346.471 3.224 20 10 EGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000779642177 1304590521 /nfs/dbraw/zinc/59/05/21/1304590521.db2.gz NNLCIRQEYVBQMA-WSTZPKSXSA-N 1 0 343.515 3.447 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CC[NH+](C3CCC3)CC2)c1 ZINC000781911488 1304889803 /nfs/dbraw/zinc/88/98/03/1304889803.db2.gz NDRPMXMLSGAZKI-UHFFFAOYSA-N 1 0 339.277 3.133 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CO)c2cccc(F)c2)c1O ZINC000782063378 1304910043 /nfs/dbraw/zinc/91/00/43/1304910043.db2.gz VGCLADRMTPAGHS-INIZCTEOSA-N 1 0 337.778 3.211 20 10 EGCDRO CSc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)co1 ZINC000891248510 1305000706 /nfs/dbraw/zinc/00/07/06/1305000706.db2.gz XOLLADWBSHLDJY-MRXNPFEDSA-N 1 0 347.484 3.100 20 10 EGCDRO C[C@H]1CN(C2CCOCC2)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000782900523 1305021654 /nfs/dbraw/zinc/02/16/54/1305021654.db2.gz YVHLBYUWELZGST-INIZCTEOSA-N 1 0 340.467 3.231 20 10 EGCDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccccc1O ZINC000783489374 1305098332 /nfs/dbraw/zinc/09/83/32/1305098332.db2.gz COPXQJUQFWZYJK-DOTOQJQBSA-N 1 0 345.512 3.093 20 10 EGCDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)ccc1OCCO ZINC000783504426 1305100180 /nfs/dbraw/zinc/10/01/80/1305100180.db2.gz MSRJIWFQHPFJBH-KBPBESRZSA-N 1 0 331.412 3.184 20 10 EGCDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)ccc1OCCO ZINC000783504445 1305100297 /nfs/dbraw/zinc/10/02/97/1305100297.db2.gz MSRJIWFQHPFJBH-ZIAGYGMSSA-N 1 0 331.412 3.184 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cc(Cl)ccc3O)n2)c1 ZINC000785595633 1305388644 /nfs/dbraw/zinc/38/86/44/1305388644.db2.gz LXCDGVQUPNWQEZ-LLVKDONJSA-N 1 0 343.818 3.385 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1O ZINC000786958065 1305665745 /nfs/dbraw/zinc/66/57/45/1305665745.db2.gz LNSACYKQQDBSTN-CYBMUJFWSA-N 1 0 325.455 3.098 20 10 EGCDRO CCOc1cccc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000893208855 1305763425 /nfs/dbraw/zinc/76/34/25/1305763425.db2.gz KWCRSERQDDQMHB-UHFFFAOYSA-N 1 0 331.412 3.140 20 10 EGCDRO CCCSC[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000893330205 1305835395 /nfs/dbraw/zinc/83/53/95/1305835395.db2.gz WZBUZNYLKQSZBW-WBVHZDCISA-N 1 0 349.544 3.010 20 10 EGCDRO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000789390479 1306152533 /nfs/dbraw/zinc/15/25/33/1306152533.db2.gz YDOQNZXHIUCVJB-HNNXBMFYSA-N 1 0 326.506 3.008 20 10 EGCDRO CCC1CCC([N@H+](CCO)Cc2ccc(OC)c(OC)c2O)CC1 ZINC000894008208 1306174103 /nfs/dbraw/zinc/17/41/03/1306174103.db2.gz WYDJTZKPEHFKSO-UHFFFAOYSA-N 1 0 337.460 3.173 20 10 EGCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cc3c(cc1O)CCCC3)C[C@@H](C)O2 ZINC000790401178 1306316839 /nfs/dbraw/zinc/31/68/39/1306316839.db2.gz KDTVEOHZTCYEOR-SXGZJXTBSA-N 1 0 331.456 3.039 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)c1O ZINC000894341181 1306350126 /nfs/dbraw/zinc/35/01/26/1306350126.db2.gz WYASKUSLDZAJDE-RDJZCZTQSA-N 1 0 329.440 3.354 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2cccnc2OCC(F)F)c1O ZINC000894366929 1306361346 /nfs/dbraw/zinc/36/13/46/1306361346.db2.gz ORCPWABLUOUIGL-UHFFFAOYSA-N 1 0 338.354 3.038 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1O ZINC000894370195 1306362957 /nfs/dbraw/zinc/36/29/57/1306362957.db2.gz GXJXEZBSYAZYIX-OAHLLOKOSA-N 1 0 339.794 3.325 20 10 EGCDRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc(O)c1O ZINC000790772016 1308862587 /nfs/dbraw/zinc/86/25/87/1308862587.db2.gz IZBYSKYYKGTNSQ-KRWDZBQOSA-N 1 0 340.423 3.055 20 10 EGCDRO COCCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000790989374 1308905505 /nfs/dbraw/zinc/90/55/05/1308905505.db2.gz BYCAAFCQLKWSFE-MRXNPFEDSA-N 1 0 342.487 3.081 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1O ZINC000894474611 1308910134 /nfs/dbraw/zinc/91/01/34/1308910134.db2.gz VGDORDZJLJTZAH-UHFFFAOYSA-N 1 0 327.424 3.193 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000791129594 1308926342 /nfs/dbraw/zinc/92/63/42/1308926342.db2.gz OOZCYUBWUFMUCC-UHFFFAOYSA-N 1 0 331.504 3.332 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1O ZINC000894659987 1309007807 /nfs/dbraw/zinc/00/78/07/1309007807.db2.gz GRFMMEBCEJKWCF-FQEVSTJZSA-N 1 0 327.424 3.023 20 10 EGCDRO COc1ccc(C[NH+]2CC(Cc3ccccc3C)C2)c(O)c1OC ZINC000894821289 1309088342 /nfs/dbraw/zinc/08/83/42/1309088342.db2.gz WGCSLYAVNRCNLO-UHFFFAOYSA-N 1 0 327.424 3.392 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C(F)(F)F)c1 ZINC000792827937 1309239735 /nfs/dbraw/zinc/23/97/35/1309239735.db2.gz FHDFFUOQAFDRRX-ZBFHGGJFSA-N 1 0 341.421 3.440 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1 ZINC000793332296 1309349294 /nfs/dbraw/zinc/34/92/94/1309349294.db2.gz HCEMQYJJCHYHGX-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)c(O)c1 ZINC000793388051 1309361096 /nfs/dbraw/zinc/36/10/96/1309361096.db2.gz JNWBDUHXCWBFJO-UHFFFAOYSA-N 1 0 327.359 3.015 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@]2(CCCOC2)O1 ZINC000794886840 1309616811 /nfs/dbraw/zinc/61/68/11/1309616811.db2.gz BERWRIZZIKDFRM-QRWLVFNGSA-N 1 0 331.456 3.041 20 10 EGCDRO C[C@@](CO)([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796318798 1309965556 /nfs/dbraw/zinc/96/55/56/1309965556.db2.gz XUUFJLKQPXYQAB-QFIPXVFZSA-N 1 0 336.479 3.500 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc(Cl)n1 ZINC000797596773 1310217998 /nfs/dbraw/zinc/21/79/98/1310217998.db2.gz SLECRTKOWFSVGV-UHFFFAOYSA-N 1 0 331.847 3.170 20 10 EGCDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000897422174 1310331238 /nfs/dbraw/zinc/33/12/38/1310331238.db2.gz BRKGXFGOQSMGFG-UHFFFAOYSA-N 1 0 326.824 3.193 20 10 EGCDRO OC[C@@H](C[NH2+]Cc1cc(Br)ccc1O)CC1CCCC1 ZINC000798503559 1310372670 /nfs/dbraw/zinc/37/26/70/1310372670.db2.gz KBZZNTWBPRZBHY-CYBMUJFWSA-N 1 0 342.277 3.433 20 10 EGCDRO Cc1ncc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000898448137 1310739547 /nfs/dbraw/zinc/73/95/47/1310739547.db2.gz PWVNXUSRYWEIMW-VBKZILBWSA-N 1 0 341.503 3.113 20 10 EGCDRO CN(C)c1ccc([C@@H](CNCc2csc(C3CC3)n2)[NH+](C)C)cc1 ZINC000898452053 1310742299 /nfs/dbraw/zinc/74/22/99/1310742299.db2.gz SUMCENOQIKGASL-GOSISDBHSA-N 1 0 344.528 3.479 20 10 EGCDRO Cc1cccc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)c1O ZINC000800544889 1310781624 /nfs/dbraw/zinc/78/16/24/1310781624.db2.gz GSDBMWPSZIHPSG-LJQANCHMSA-N 1 0 334.419 3.393 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1Cl ZINC000824560706 1320265094 /nfs/dbraw/zinc/26/50/94/1320265094.db2.gz KORTYEPFFNQVAT-AWEZNQCLSA-N 1 0 336.863 3.092 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000824596958 1320268388 /nfs/dbraw/zinc/26/83/88/1320268388.db2.gz LYGFJILTAOGWIM-LLVKDONJSA-N 1 0 336.233 3.257 20 10 EGCDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)c1 ZINC000825327913 1320328774 /nfs/dbraw/zinc/32/87/74/1320328774.db2.gz WCAJZRQDYWDFKO-GFCCVEGCSA-N 1 0 349.402 3.278 20 10 EGCDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826089290 1320383113 /nfs/dbraw/zinc/38/31/13/1320383113.db2.gz CLPVTJPVWWJCOB-ZDUSSCGKSA-N 1 0 328.250 3.138 20 10 EGCDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000837008281 1320564311 /nfs/dbraw/zinc/56/43/11/1320564311.db2.gz QQBICEDRCPUJTK-HNNXBMFYSA-N 1 0 340.471 3.045 20 10 EGCDRO C[C@@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)[NH+](C)C ZINC000838685506 1320803888 /nfs/dbraw/zinc/80/38/88/1320803888.db2.gz RTCXRYVLZHNPBH-HNNXBMFYSA-N 1 0 333.476 3.187 20 10 EGCDRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000857226258 1328525001 /nfs/dbraw/zinc/52/50/01/1328525001.db2.gz JGOPFFBCXOEEEH-RXVVDRJESA-N 1 0 338.451 3.284 20 10 EGCDRO C[C@H]1CC(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000801732513 1316943534 /nfs/dbraw/zinc/94/35/34/1316943534.db2.gz NCZCTEURHCTJQV-IRXDYDNUSA-N 1 0 332.488 3.207 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858090939 1328679262 /nfs/dbraw/zinc/67/92/62/1328679262.db2.gz SVZAIBBDBTYECY-UHFFFAOYSA-N 1 0 333.382 3.279 20 10 EGCDRO CCc1nc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)cs1 ZINC000858123235 1328688790 /nfs/dbraw/zinc/68/87/90/1328688790.db2.gz RBQPVISZCWTVOX-UHFFFAOYSA-N 1 0 325.428 3.382 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@H](CNCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858127672 1328689083 /nfs/dbraw/zinc/68/90/83/1328689083.db2.gz MEDULWVQYQXTEX-CQSZACIVSA-N 1 0 325.447 3.241 20 10 EGCDRO CCN(C)c1ccc(Cn2cc(C[NH+](C(C)C)C(C)C)nn2)cc1 ZINC000900548909 1317305306 /nfs/dbraw/zinc/30/53/06/1317305306.db2.gz BANHDAFQQNITDM-UHFFFAOYSA-N 1 0 329.492 3.401 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000858135877 1328691612 /nfs/dbraw/zinc/69/16/12/1328691612.db2.gz FQIPKKFQXVVJOX-JTQLQIEISA-N 1 0 346.381 3.464 20 10 EGCDRO CC(C)[C@H](O)C1(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858156418 1328698356 /nfs/dbraw/zinc/69/83/56/1328698356.db2.gz VVYGGKVLYQKPKQ-AWEZNQCLSA-N 1 0 328.250 3.041 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000858165033 1328700715 /nfs/dbraw/zinc/70/07/15/1328700715.db2.gz LZRCQFNZRWYCLH-LLVKDONJSA-N 1 0 334.213 3.421 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CCCCC3)C2)cc1C ZINC001019948358 1317472389 /nfs/dbraw/zinc/47/23/89/1317472389.db2.gz KVUHNOBCOUIWGD-IYARVYRRSA-N 1 0 330.472 3.321 20 10 EGCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000808215643 1317645413 /nfs/dbraw/zinc/64/54/13/1317645413.db2.gz BSUNDFADOBCRAN-INIZCTEOSA-N 1 0 330.472 3.009 20 10 EGCDRO Cc1nn(C)c2nc(Cl)c(C[NH2+]Cc3cc(C)ccc3O)cc12 ZINC000858237894 1328718703 /nfs/dbraw/zinc/71/87/03/1328718703.db2.gz RHBDFRVVNVLYTJ-UHFFFAOYSA-N 1 0 330.819 3.234 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c(O)c1 ZINC000808425743 1317675070 /nfs/dbraw/zinc/67/50/70/1317675070.db2.gz JLFMNHRKLDSJTO-SFHVURJKSA-N 1 0 332.419 3.323 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c1O ZINC000808674920 1317713372 /nfs/dbraw/zinc/71/33/72/1317713372.db2.gz QRYKSGZGYORPIP-GFCCVEGCSA-N 1 0 336.863 3.406 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1O ZINC000808680816 1317715672 /nfs/dbraw/zinc/71/56/72/1317715672.db2.gz PSOXYCXBYCBGEA-BLLLJJGKSA-N 1 0 349.862 3.271 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H](CO)CCC(C)C)c1O ZINC000858241579 1328719968 /nfs/dbraw/zinc/71/99/68/1328719968.db2.gz XYRPWVKDANRSNE-ZDUSSCGKSA-N 1 0 346.265 3.050 20 10 EGCDRO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000809719006 1317875853 /nfs/dbraw/zinc/87/58/53/1317875853.db2.gz UNWIGVWUCLTKLW-KRWDZBQOSA-N 1 0 332.444 3.416 20 10 EGCDRO O=C(NC1CCCCC1)OC[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000809719007 1317876229 /nfs/dbraw/zinc/87/62/29/1317876229.db2.gz UNWIGVWUCLTKLW-QGZVFWFLSA-N 1 0 332.444 3.416 20 10 EGCDRO COc1cccc(C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)c1O ZINC000809739339 1317886205 /nfs/dbraw/zinc/88/62/05/1317886205.db2.gz HNTVVVODJIIIIR-UHFFFAOYSA-N 1 0 346.456 3.227 20 10 EGCDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809767175 1317895097 /nfs/dbraw/zinc/89/50/97/1317895097.db2.gz GRSGGFYLDKVWDO-HNNXBMFYSA-N 1 0 326.481 3.236 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3cccc(C)c3)C2)cc1 ZINC000905291053 1317945019 /nfs/dbraw/zinc/94/50/19/1317945019.db2.gz OEMBZMKZFDSNLA-UWJYYQICSA-N 1 0 340.467 3.153 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c(O)c1 ZINC000810170152 1317967982 /nfs/dbraw/zinc/96/79/82/1317967982.db2.gz GAWBXVYXDLNERP-GOSISDBHSA-N 1 0 333.453 3.430 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810213033 1317977489 /nfs/dbraw/zinc/97/74/89/1317977489.db2.gz KKQPCDDSSYJJJV-KOLCDFICSA-N 1 0 331.256 3.375 20 10 EGCDRO CC[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(C(F)(F)F)cc1O ZINC000810220647 1317978678 /nfs/dbraw/zinc/97/86/78/1317978678.db2.gz BQLWJEDZZISXLW-JSGCOSHPSA-N 1 0 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20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2F)C[C@@H](C)O1 ZINC000815561646 1319015644 /nfs/dbraw/zinc/01/56/44/1319015644.db2.gz LHNSFHHHRORYRN-LBTNJELSSA-N 1 0 336.451 3.096 20 10 EGCDRO CC[C@@]1(C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022913408 1319164416 /nfs/dbraw/zinc/16/44/16/1319164416.db2.gz NCANMYLQKJQHLW-YZLZLFLDSA-N 1 0 330.472 3.177 20 10 EGCDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000816610619 1319194205 /nfs/dbraw/zinc/19/42/05/1319194205.db2.gz RMXIBXXNOIISCI-HOCLYGCPSA-N 1 0 335.444 3.393 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c(O)c1 ZINC000816624786 1319196414 /nfs/dbraw/zinc/19/64/14/1319196414.db2.gz HMPDGODNXATRAV-UHFFFAOYSA-N 1 0 341.451 3.317 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CO)CC2)c1O ZINC000816666751 1319205247 /nfs/dbraw/zinc/20/52/47/1319205247.db2.gz VGFJVMZLITWNKY-GFCCVEGCSA-N 1 0 328.250 3.058 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000817414863 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WTXDDQRSWGWEIK-OXJNMPFZSA-N 1 0 349.482 3.289 20 10 EGCDRO CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817954598 1319475414 /nfs/dbraw/zinc/47/54/14/1319475414.db2.gz ZQNAGSVTXLNHTG-JTQLQIEISA-N 1 0 333.245 3.333 20 10 EGCDRO COC[C@@]1(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000817972986 1319482637 /nfs/dbraw/zinc/48/26/37/1319482637.db2.gz AQSAQSRGFQCLSG-PXNSSMCTSA-N 1 0 331.504 3.096 20 10 EGCDRO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817976251 1319484016 /nfs/dbraw/zinc/48/40/16/1319484016.db2.gz ISFNGPCEMFBCFP-ZJUUUORDSA-N 1 0 333.245 3.462 20 10 EGCDRO CCn1ccnc1[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341616 1319530504 /nfs/dbraw/zinc/53/05/04/1319530504.db2.gz BUPMBRVYVJDUCV-JKSUJKDBSA-N 1 0 328.460 3.089 20 10 EGCDRO Cc1cc(C[NH3+])cc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000818633786 1319572804 /nfs/dbraw/zinc/57/28/04/1319572804.db2.gz IKDSBAJMRZOELA-UHFFFAOYSA-N 1 0 339.439 3.360 20 10 EGCDRO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000818633292 1319572955 /nfs/dbraw/zinc/57/29/55/1319572955.db2.gz FBLDIYMEXWLEOR-AWEZNQCLSA-N 1 0 326.444 3.402 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)Nc2cccnc2)cc1 ZINC000818965084 1319595597 /nfs/dbraw/zinc/59/55/97/1319595597.db2.gz PCJQEIBLQLZFAL-UHFFFAOYSA-N 1 0 326.444 3.046 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccc(C)o3)C2)cc1C ZINC000961516783 1319628794 /nfs/dbraw/zinc/62/87/94/1319628794.db2.gz VVLVQZNESUARJX-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819291452 1319692163 /nfs/dbraw/zinc/69/21/63/1319692163.db2.gz VIPYQZSBAYETLH-DZGCQCFKSA-N 1 0 342.936 3.390 20 10 EGCDRO CC[N@@H+]1CC[C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000916835382 1319711932 /nfs/dbraw/zinc/71/19/32/1319711932.db2.gz YEHJICILEKWZDW-KRWDZBQOSA-N 1 0 346.475 3.017 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1 ZINC000917101248 1319757271 /nfs/dbraw/zinc/75/72/71/1319757271.db2.gz WRKIAOCSTPMXGA-QGZVFWFLSA-N 1 0 325.456 3.308 20 10 EGCDRO Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(N4CCCC4)cc3)cc12 ZINC000917140629 1319762252 /nfs/dbraw/zinc/76/22/52/1319762252.db2.gz VUEXFAYGHOIGBI-UHFFFAOYSA-N 1 0 335.455 3.167 20 10 EGCDRO COc1ccc(N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822570109 1320098761 /nfs/dbraw/zinc/09/87/61/1320098761.db2.gz GRNREUGLBIXSFW-ZDUSSCGKSA-N 1 0 329.271 3.401 20 10 EGCDRO CCC[N@H+](CC(=O)NC)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823418038 1320178039 /nfs/dbraw/zinc/17/80/39/1320178039.db2.gz AOVYELNNTSQUMR-UHFFFAOYSA-N 1 0 345.512 3.343 20 10 EGCDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824395850 1320254148 /nfs/dbraw/zinc/25/41/48/1320254148.db2.gz KAKBLQMFTAUDCQ-HNNXBMFYSA-N 1 0 343.496 3.095 20 10 EGCDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824575136 1320265644 /nfs/dbraw/zinc/26/56/44/1320265644.db2.gz BTLUZJNTMYYYBY-OAHLLOKOSA-N 1 0 334.504 3.472 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC000824627006 1320272071 /nfs/dbraw/zinc/27/20/71/1320272071.db2.gz GPHSSVOVLIMEOF-UHFFFAOYSA-N 1 0 342.233 3.072 20 10 EGCDRO C[N@H+](Cc1cc(Br)ccc1O)[C@@H](CO)c1ccccc1 ZINC000824696400 1320277944 /nfs/dbraw/zinc/27/79/44/1320277944.db2.gz MLWWJECFEDQCBC-HNNXBMFYSA-N 1 0 336.229 3.320 20 10 EGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824716510 1320280207 /nfs/dbraw/zinc/28/02/07/1320280207.db2.gz WEXWNWVVRSUHLN-FMKPAKJESA-N 1 0 340.261 3.280 20 10 EGCDRO CC[C@@](C)(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC ZINC000824743944 1320282809 /nfs/dbraw/zinc/28/28/09/1320282809.db2.gz SFGXPSZKXZFZQO-SFHVURJKSA-N 1 0 335.448 3.490 20 10 EGCDRO CCOc1cccc(C[N@H+](CCO)Cc2ccc(N(C)C)cc2)c1 ZINC000825299937 1320326087 /nfs/dbraw/zinc/32/60/87/1320326087.db2.gz SUPWWUSOLIYGER-UHFFFAOYSA-N 1 0 328.456 3.146 20 10 EGCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(Br)cc1O ZINC000825885406 1320368859 /nfs/dbraw/zinc/36/88/59/1320368859.db2.gz FYTXGAILSZIIHD-DOMZBBRYSA-N 1 0 339.277 3.213 20 10 EGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(Br)cc1O ZINC000825900763 1320370237 /nfs/dbraw/zinc/37/02/37/1320370237.db2.gz QKCSWCJKGLQYIH-IUODEOHRSA-N 1 0 339.277 3.213 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000825933605 1320372640 /nfs/dbraw/zinc/37/26/40/1320372640.db2.gz BETACVGALOFANM-KBXCAEBGSA-N 1 0 343.423 3.419 20 10 EGCDRO Cc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)c(C)n1-c1ccccn1 ZINC000837176647 1320582113 /nfs/dbraw/zinc/58/21/13/1320582113.db2.gz GOQJADJJKUQNGH-UHFFFAOYSA-N 1 0 340.471 3.093 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cnc(C2CC2)nc1)C[C@@H]1CCCO1 ZINC000838783981 1320815779 /nfs/dbraw/zinc/81/57/79/1320815779.db2.gz OZJPWGUXMMNHLA-SFHVURJKSA-N 1 0 339.439 3.241 20 10 EGCDRO CCC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000839200538 1320894236 /nfs/dbraw/zinc/89/42/36/1320894236.db2.gz UVKQEIUWBQUOQU-IBGZPJMESA-N 1 0 331.504 3.269 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000839539395 1320934759 /nfs/dbraw/zinc/93/47/59/1320934759.db2.gz MLMZZUXVFVOEHW-RLFYNMQTSA-N 1 0 346.471 3.233 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000840085300 1321024793 /nfs/dbraw/zinc/02/47/93/1321024793.db2.gz FRHUAPXFCBEQAQ-UHFFFAOYSA-N 1 0 335.444 3.124 20 10 EGCDRO CCCC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCCC[C@H]1OC ZINC000840136181 1321036575 /nfs/dbraw/zinc/03/65/75/1321036575.db2.gz YRYNMEXKDGFZAH-BHIYHBOVSA-N 1 0 349.471 3.378 20 10 EGCDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000840809783 1321154214 /nfs/dbraw/zinc/15/42/14/1321154214.db2.gz UTLWMZMFANJWDB-TZMCWYRMSA-N 1 0 335.831 3.481 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000840913131 1321176235 /nfs/dbraw/zinc/17/62/35/1321176235.db2.gz SBGZEFVBJWHEFH-KRWDZBQOSA-N 1 0 331.504 3.045 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)cc1F ZINC000840960509 1321187149 /nfs/dbraw/zinc/18/71/49/1321187149.db2.gz IUQOTGGYUBMXNF-INIZCTEOSA-N 1 0 345.418 3.102 20 10 EGCDRO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC000840962155 1321188564 /nfs/dbraw/zinc/18/85/64/1321188564.db2.gz IQWQCUBFKARGIG-INIZCTEOSA-N 1 0 326.440 3.107 20 10 EGCDRO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975014 1321192501 /nfs/dbraw/zinc/19/25/01/1321192501.db2.gz BJEXNRYBDHJHDG-ZDUSSCGKSA-N 1 0 334.895 3.477 20 10 EGCDRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCc1ccc(N)cc1 ZINC000841033812 1321205431 /nfs/dbraw/zinc/20/54/31/1321205431.db2.gz BNZUZLNKBNBUJW-ZDUSSCGKSA-N 1 0 331.847 3.472 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@@H](N)c2ccc(C(C)C)cc2)cc1OC ZINC000841036208 1321205714 /nfs/dbraw/zinc/20/57/14/1321205714.db2.gz LEYFSJLEOQKJDV-QGZVFWFLSA-N 1 0 344.455 3.322 20 10 EGCDRO CCN(C(=O)Nc1ccc(N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000841295575 1321247764 /nfs/dbraw/zinc/24/77/64/1321247764.db2.gz BQPFWDZSOCQFFS-LJQANCHMSA-N 1 0 338.455 3.397 20 10 EGCDRO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000841300527 1321249971 /nfs/dbraw/zinc/24/99/71/1321249971.db2.gz REEZBXNVGFLQTG-SFHVURJKSA-N 1 0 330.476 3.435 20 10 EGCDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793584 1321313023 /nfs/dbraw/zinc/31/30/23/1321313023.db2.gz NOVMJUPIIHJQSQ-UHFFFAOYSA-N 1 0 346.519 3.240 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc2)CC1 ZINC000841794321 1321313306 /nfs/dbraw/zinc/31/33/06/1321313306.db2.gz WBRJJGOHSSMUOU-UHFFFAOYSA-N 1 0 346.519 3.049 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc1 ZINC000841889551 1321327216 /nfs/dbraw/zinc/32/72/16/1321327216.db2.gz DSNQIXNBUCIIMX-UHFFFAOYSA-N 1 0 334.504 3.190 20 10 EGCDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000841936238 1321331350 /nfs/dbraw/zinc/33/13/50/1321331350.db2.gz LIEOLRHUHVUMMJ-SFHVURJKSA-N 1 0 341.455 3.357 20 10 EGCDRO CCC([NH3+])(CC)CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841951806 1321331996 /nfs/dbraw/zinc/33/19/96/1321331996.db2.gz KPWORVJGMPUWRS-UHFFFAOYSA-N 1 0 345.443 3.215 20 10 EGCDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000842010330 1321335010 /nfs/dbraw/zinc/33/50/10/1321335010.db2.gz JLLSIZGEPOAMCP-DOTOQJQBSA-N 1 0 345.487 3.364 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000842686253 1321418727 /nfs/dbraw/zinc/41/87/27/1321418727.db2.gz LIQNRZMIFBJMNO-RDBSUJKOSA-N 1 0 326.387 3.024 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1F ZINC000842720380 1321423678 /nfs/dbraw/zinc/42/36/78/1321423678.db2.gz GTINIAIWYLNRLS-INIZCTEOSA-N 1 0 335.467 3.161 20 10 EGCDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053193 1321461954 /nfs/dbraw/zinc/46/19/54/1321461954.db2.gz YZWJULSYCOSYFW-CHWSQXEVSA-N 1 0 329.410 3.331 20 10 EGCDRO Cc1ccc(NC(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)cc1F ZINC000843349622 1321503332 /nfs/dbraw/zinc/50/33/32/1321503332.db2.gz GLNMIHDGBNUKLB-CQSZACIVSA-N 1 0 341.430 3.373 20 10 EGCDRO CC(=O)c1cc(F)cc(CN(CCC[NH3+])Cc2ccccc2)c1O ZINC000843377191 1321508737 /nfs/dbraw/zinc/50/87/37/1321508737.db2.gz QPZDKRBLDFQHJX-UHFFFAOYSA-N 1 0 330.403 3.085 20 10 EGCDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000843429671 1321517936 /nfs/dbraw/zinc/51/79/36/1321517936.db2.gz ZIDGSIDGUZMRMD-HNNXBMFYSA-N 1 0 344.842 3.184 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000843487419 1321522327 /nfs/dbraw/zinc/52/23/27/1321522327.db2.gz FCFNSFGIWOCNEE-DNVCBOLYSA-N 1 0 338.451 3.480 20 10 EGCDRO COc1cc(OC)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1F ZINC000845927009 1321754715 /nfs/dbraw/zinc/75/47/15/1321754715.db2.gz BZEQWTARLMNDDQ-UHFFFAOYSA-N 1 0 336.382 3.338 20 10 EGCDRO CCc1oc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1C(=O)OC ZINC000845970964 1321760364 /nfs/dbraw/zinc/76/03/64/1321760364.db2.gz GGBDJSYOKGRZGP-LLVKDONJSA-N 1 0 333.384 3.194 20 10 EGCDRO CC(C)COC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000846058155 1321765255 /nfs/dbraw/zinc/76/52/55/1321765255.db2.gz MAQOKEOWVNHKEB-UHFFFAOYSA-N 1 0 340.851 3.392 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1O ZINC000846137577 1321770261 /nfs/dbraw/zinc/77/02/61/1321770261.db2.gz SIJFWYKFUHNCOL-CQSZACIVSA-N 1 0 340.423 3.378 20 10 EGCDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846151471 1321771901 /nfs/dbraw/zinc/77/19/01/1321771901.db2.gz YZIGQMFAJXVEBM-DYVFJYSZSA-N 1 0 331.412 3.184 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2cccc(NC(C)=O)c2)c1O ZINC000846148989 1321772102 /nfs/dbraw/zinc/77/21/02/1321772102.db2.gz FDAQOZYSBKWQQW-CYBMUJFWSA-N 1 0 344.411 3.089 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCCc2ccc3c(c2)OCCO3)c1O ZINC000846155780 1321772440 /nfs/dbraw/zinc/77/24/40/1321772440.db2.gz YGVXNFMSNBIKMY-AWEZNQCLSA-N 1 0 343.423 3.455 20 10 EGCDRO COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846154134 1321772597 /nfs/dbraw/zinc/77/25/97/1321772597.db2.gz KMDICGMCPNPMTH-CYBMUJFWSA-N 1 0 344.411 3.472 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1O ZINC000846171988 1321773629 /nfs/dbraw/zinc/77/36/29/1321773629.db2.gz JZGMDUKKNHHDAS-UKRRQHHQSA-N 1 0 344.411 3.172 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000846166373 1321773972 /nfs/dbraw/zinc/77/39/72/1321773972.db2.gz XQRYPZWIKKUPLZ-YOEHRIQHSA-N 1 0 346.471 3.375 20 10 EGCDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000846663253 1321799530 /nfs/dbraw/zinc/79/95/30/1321799530.db2.gz GKWVPDNVKWAYPC-SCLBCKFNSA-N 1 0 345.874 3.326 20 10 EGCDRO CC[N@H+](C)C[C@H](O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846838856 1321815147 /nfs/dbraw/zinc/81/51/47/1321815147.db2.gz AZINVKVYIZVVKP-PXNSSMCTSA-N 1 0 342.483 3.268 20 10 EGCDRO Cc1cc(CN(CC[NH+](C)C)Cc2ccccn2)ccc1N(C)C ZINC000846944856 1321826919 /nfs/dbraw/zinc/82/69/19/1321826919.db2.gz YEZZFBNZVHHKBK-UHFFFAOYSA-N 1 0 326.488 3.020 20 10 EGCDRO C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccc(N(C)C)cc1 ZINC000847760849 1321902930 /nfs/dbraw/zinc/90/29/30/1321902930.db2.gz NILSFAMAZKOYJP-INIZCTEOSA-N 1 0 339.483 3.348 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(N2CCCCC2)cc1 ZINC000848562442 1321976753 /nfs/dbraw/zinc/97/67/53/1321976753.db2.gz DJQBJUNASMQVET-NVXWUHKLSA-N 1 0 339.487 3.014 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000848899768 1322037762 /nfs/dbraw/zinc/03/77/62/1322037762.db2.gz KAWKFHXAIMLUON-KRWDZBQOSA-N 1 0 338.451 3.093 20 10 EGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000848907792 1322041909 /nfs/dbraw/zinc/04/19/09/1322041909.db2.gz IIKIXZIONZPCGB-SFHVURJKSA-N 1 0 338.451 3.440 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@]2(COC)OCCc3ccccc32)c1O ZINC000848912354 1322043669 /nfs/dbraw/zinc/04/36/69/1322043669.db2.gz FSBMEXSQCAXQNQ-NRFANRHFSA-N 1 0 341.451 3.159 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c1O ZINC000848922441 1322046224 /nfs/dbraw/zinc/04/62/24/1322046224.db2.gz SEZACYPCRJGBLT-OAHLLOKOSA-N 1 0 346.814 3.097 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000848930370 1322049109 /nfs/dbraw/zinc/04/91/09/1322049109.db2.gz QUOCFHSSHDSYBW-HXUWFJFHSA-N 1 0 345.531 3.220 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1C ZINC000920183352 1322149208 /nfs/dbraw/zinc/14/92/08/1322149208.db2.gz KWKRCOGGDBRICS-SFHVURJKSA-N 1 0 326.440 3.313 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCN(CC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850128781 1322195752 /nfs/dbraw/zinc/19/57/52/1322195752.db2.gz JHWOMZIPHNZRHA-INIZCTEOSA-N 1 0 332.488 3.272 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccc(CO)cc2)c(O)c(C(C)(C)C)c1 ZINC000850336252 1322230027 /nfs/dbraw/zinc/23/00/27/1322230027.db2.gz OZCKEIGFEYFVAF-UHFFFAOYSA-N 1 0 329.440 3.480 20 10 EGCDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000850355095 1322231634 /nfs/dbraw/zinc/23/16/34/1322231634.db2.gz FVVYDYREAVSLJD-LTMIRXACSA-N 1 0 334.529 3.456 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1F ZINC000850406647 1322240639 /nfs/dbraw/zinc/24/06/39/1322240639.db2.gz OOJIURKAQGLJMX-UHFFFAOYSA-N 1 0 344.430 3.085 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000850516546 1322259437 /nfs/dbraw/zinc/25/94/37/1322259437.db2.gz WYJPWXQOPNLIFX-QWRGUYRKSA-N 1 0 328.250 3.275 20 10 EGCDRO COC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1cccc(OC)c1 ZINC000850513615 1322260137 /nfs/dbraw/zinc/26/01/37/1322260137.db2.gz HQDYTRXQBLRMEW-CXAGYDPISA-N 1 0 331.412 3.448 20 10 EGCDRO CNC(=O)CC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CCCCC1 ZINC000850554885 1322264895 /nfs/dbraw/zinc/26/48/95/1322264895.db2.gz HALREIGLZVRURI-AWEZNQCLSA-N 1 0 334.460 3.138 20 10 EGCDRO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568298 1322269189 /nfs/dbraw/zinc/26/91/89/1322269189.db2.gz UZMFVIYHIXAXKZ-INIZCTEOSA-N 1 0 339.483 3.456 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCN2Cc2ccccc2)c1O ZINC000850579521 1322271963 /nfs/dbraw/zinc/27/19/63/1322271963.db2.gz VXIDVPZNLGQJMX-DOTOQJQBSA-N 1 0 326.440 3.326 20 10 EGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000922429803 1322528065 /nfs/dbraw/zinc/52/80/65/1322528065.db2.gz AMKXLELEVNRRAE-UHFFFAOYSA-N 1 0 326.366 3.066 20 10 EGCDRO C/C=C(/C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023923653 1323029605 /nfs/dbraw/zinc/02/96/05/1323029605.db2.gz DPPUHYWNLLIVBZ-LQBXZKJLSA-N 1 0 330.472 3.298 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001024167671 1323184629 /nfs/dbraw/zinc/18/46/29/1323184629.db2.gz VHGIFAURTSHMML-GUDVDZBRSA-N 1 0 344.499 3.378 20 10 EGCDRO CC(C)c1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000852792069 1323242785 /nfs/dbraw/zinc/24/27/85/1323242785.db2.gz QESBOAFDRVVFFF-LJQANCHMSA-N 1 0 325.456 3.306 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1 ZINC000852792292 1323242880 /nfs/dbraw/zinc/24/28/80/1323242880.db2.gz UXXAEUGVZSXRHX-YVWKXTFCSA-N 1 0 343.515 3.475 20 10 EGCDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925011119 1323244270 /nfs/dbraw/zinc/24/42/70/1323244270.db2.gz KQRRWBKOANBEDC-FUHWJXTLSA-N 1 0 329.488 3.070 20 10 EGCDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCCSc2nccs2)cn1 ZINC000925101543 1323281821 /nfs/dbraw/zinc/28/18/21/1323281821.db2.gz INHCCTOWXHDNGQ-HUUCEWRRSA-N 1 0 336.530 3.360 20 10 EGCDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCSc2nccs2)cn1 ZINC000925101539 1323281897 /nfs/dbraw/zinc/28/18/97/1323281897.db2.gz INHCCTOWXHDNGQ-GJZGRUSLSA-N 1 0 336.530 3.360 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C4CCC4)C[C@@H]32)cc1C ZINC001026165501 1324633983 /nfs/dbraw/zinc/63/39/83/1324633983.db2.gz FPSDXEYWSBUEJJ-GBESFXJTSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H](C)C3CC3)C2)cc1C ZINC001027237451 1325329732 /nfs/dbraw/zinc/32/97/32/1325329732.db2.gz PDQASHQRHNOMPB-CRAIPNDOSA-N 1 0 344.499 3.378 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cncc(Cl)c1 ZINC000856718183 1325512833 /nfs/dbraw/zinc/51/28/33/1325512833.db2.gz JQCBQWGTEWNZAR-UHFFFAOYSA-N 1 0 331.847 3.204 20 10 EGCDRO CCOc1cncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000856767457 1325521083 /nfs/dbraw/zinc/52/10/83/1325521083.db2.gz PBAOVRKPCXMLRC-INIZCTEOSA-N 1 0 341.455 3.168 20 10 EGCDRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000927082462 1327850562 /nfs/dbraw/zinc/85/05/62/1327850562.db2.gz AWJWHFZDYSGSJK-NVXWUHKLSA-N 1 0 336.451 3.272 20 10 EGCDRO OCC[N@H+](Cc1c(O)cccc1Br)C1CCCCC1 ZINC000862210297 1329465995 /nfs/dbraw/zinc/46/59/95/1329465995.db2.gz HAMZKEANIVGJGA-UHFFFAOYSA-N 1 0 328.250 3.282 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1c(O)cccc1Br)C1CC1 ZINC000862234658 1329469348 /nfs/dbraw/zinc/46/93/48/1329469348.db2.gz WRVLLALPEXRLBW-UHFFFAOYSA-N 1 0 342.233 3.072 20 10 EGCDRO COc1cc(O)c(C[NH2+]CC(C)(C)c2ccc(C)cn2)cc1OC ZINC000862481637 1329489660 /nfs/dbraw/zinc/48/96/60/1329489660.db2.gz ZJVBVWMHZPXEMO-UHFFFAOYSA-N 1 0 330.428 3.180 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000862485132 1329490490 /nfs/dbraw/zinc/49/04/90/1329490490.db2.gz HEKRDECTHVADSX-UKRRQHHQSA-N 1 0 335.444 3.201 20 10 EGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)[nH]1 ZINC000862527870 1329492371 /nfs/dbraw/zinc/49/23/71/1329492371.db2.gz JLXXXLYYSGFPGQ-UHFFFAOYSA-N 1 0 337.423 3.499 20 10 EGCDRO Cc1cc(CNC(=O)[C@H]2CCn3cncc3C2)c(C)n1-c1ccccc1 ZINC000863165576 1329531637 /nfs/dbraw/zinc/53/16/37/1329531637.db2.gz GEUXVVKWKPYWKW-KRWDZBQOSA-N 1 0 348.450 3.169 20 10 EGCDRO Cc1cc(C[NH2+]C[C@H](O)CC(F)(F)F)c(C)n1-c1ccccc1 ZINC000863583540 1329564839 /nfs/dbraw/zinc/56/48/39/1329564839.db2.gz ZHBUVBXJIHGZCD-MRXNPFEDSA-N 1 0 326.362 3.497 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC[C@H](O)C3CCCC3)CC2)cc1 ZINC000865876920 1329748148 /nfs/dbraw/zinc/74/81/48/1329748148.db2.gz ZAMAQYQIRJVJKT-FQEVSTJZSA-N 1 0 332.488 3.195 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866435334 1330112071 /nfs/dbraw/zinc/11/20/71/1330112071.db2.gz AQYUAZFIYDFWGY-DGCLKSJQSA-N 1 0 348.756 3.481 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](n2cncn2)C(F)(F)F)c2c1c(F)ccc2O ZINC000866436698 1330112211 /nfs/dbraw/zinc/11/22/11/1330112211.db2.gz QRAQOBCXZPJYPV-UISBYWKRSA-N 1 0 344.312 3.064 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccccc1O ZINC000866472029 1330116480 /nfs/dbraw/zinc/11/64/80/1330116480.db2.gz HWXSGIBXLYUTJI-CQSZACIVSA-N 1 0 329.469 3.191 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Br)cn2)c1O ZINC000866572266 1330128447 /nfs/dbraw/zinc/12/84/47/1330128447.db2.gz ZQDDGJQDMORTDL-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1C ZINC001029128801 1340937340 /nfs/dbraw/zinc/93/73/40/1340937340.db2.gz PUUDRIIYTRWIOX-IDHHARJASA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(C)C)C[C@@H]2C)cc1C ZINC001035888351 1343250335 /nfs/dbraw/zinc/25/03/35/1343250335.db2.gz RAEJABOXTMHRQL-WMZOPIPTSA-N 1 0 332.488 3.376 20 10 EGCDRO CCC(CC)C[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001044355696 1346308404 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20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3CCCC3)C2)cc1C ZINC001086011776 1358961877 /nfs/dbraw/zinc/96/18/77/1358961877.db2.gz QKBHKCJCPTWMHV-MAEOIBBWSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC001086222542 1359032188 /nfs/dbraw/zinc/03/21/88/1359032188.db2.gz VTWYWFMQCPXNSY-WZGPROSRSA-N 1 0 342.483 3.034 20 10 EGCDRO COCC[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccn1 ZINC001323700692 1387424011 /nfs/dbraw/zinc/42/40/11/1387424011.db2.gz PWDBEBFRVBWZRS-UHFFFAOYSA-N 1 0 325.456 3.330 20 10 EGCDRO CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001089734850 1360639611 /nfs/dbraw/zinc/63/96/11/1360639611.db2.gz YYSHEGMQWNOJFY-OAHLLOKOSA-N 1 0 345.447 3.089 20 10 EGCDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001324459925 1387629489 /nfs/dbraw/zinc/62/94/89/1387629489.db2.gz YPPQYGWXAFGTKV-IEBWSBKVSA-N 1 0 340.471 3.030 20 10 EGCDRO CCC(CC)COC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001194716656 1368312308 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AMNLBJCHGQMHKQ-UHFFFAOYSA-N 1 0 345.487 3.195 20 10 EGCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203934486 1370321359 /nfs/dbraw/zinc/32/13/59/1370321359.db2.gz ZSGHMDWWIAQZBP-IBGZPJMESA-N 1 0 346.515 3.408 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c(C)c1 ZINC001203937505 1370322040 /nfs/dbraw/zinc/32/20/40/1370322040.db2.gz TVDXIZQEKPYGNW-UHFFFAOYSA-N 1 0 339.483 3.392 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)cc1 ZINC001203938553 1370322045 /nfs/dbraw/zinc/32/20/45/1370322045.db2.gz FDFVMDMLGJSYEG-LJQANCHMSA-N 1 0 343.515 3.223 20 10 EGCDRO COc1cc(OC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)ccn1 ZINC001203937251 1370322512 /nfs/dbraw/zinc/32/25/12/1370322512.db2.gz RSJGJNHCERFGTL-UHFFFAOYSA-N 1 0 341.455 3.200 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001203936235 1370322715 /nfs/dbraw/zinc/32/27/15/1370322715.db2.gz FHOLWEGGTVQVCW-UNMCSNQZSA-N 1 0 335.495 3.459 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c2ccccc21 ZINC001204236391 1370418278 /nfs/dbraw/zinc/41/82/78/1370418278.db2.gz VGDPQUMTEDARKO-AEFFLSMTSA-N 1 0 332.394 3.372 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1O ZINC001204277259 1370428938 /nfs/dbraw/zinc/42/89/38/1370428938.db2.gz XEFLVOULMYYRSJ-UHFFFAOYSA-N 1 0 329.396 3.053 20 10 EGCDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(O)cc1O ZINC001204281528 1370431095 /nfs/dbraw/zinc/43/10/95/1370431095.db2.gz UPPIPIACMSMMFV-AWEZNQCLSA-N 1 0 331.412 3.144 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@]1(O)C(F)(F)F ZINC001204325857 1370444842 /nfs/dbraw/zinc/44/48/42/1370444842.db2.gz WBKPXMQKIHDYKJ-WMLDXEAASA-N 1 0 342.405 3.422 20 10 EGCDRO Oc1cccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001204328859 1370445214 /nfs/dbraw/zinc/44/52/14/1370445214.db2.gz QJVRLAXTCUUICB-UHFFFAOYSA-N 1 0 337.467 3.315 20 10 EGCDRO c1cnc(O[C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001204329371 1370445398 /nfs/dbraw/zinc/44/53/98/1370445398.db2.gz OGJUTLZJYITBFB-IBGZPJMESA-N 1 0 338.455 3.120 20 10 EGCDRO Cc1cnc(O[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329557 1370445404 /nfs/dbraw/zinc/44/54/04/1370445404.db2.gz PUTRMFRCKDQPRP-IBGZPJMESA-N 1 0 338.455 3.039 20 10 EGCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327984 1370445740 /nfs/dbraw/zinc/44/57/40/1370445740.db2.gz AKYQZVPIUNWJDS-FQEVSTJZSA-N 1 0 330.472 3.452 20 10 EGCDRO COc1cc(Br)cc(C[N@H+](C)C2CC(F)(F)C2)c1O ZINC001204335919 1370447468 /nfs/dbraw/zinc/44/74/68/1370447468.db2.gz CYXBWHUJZSGFNZ-UHFFFAOYSA-N 1 0 336.176 3.393 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)cc(O)c1O ZINC001204341449 1370448481 /nfs/dbraw/zinc/44/84/81/1370448481.db2.gz CPAYOHAWDBMAMB-INIZCTEOSA-N 1 0 329.396 3.150 20 10 EGCDRO COc1cc(C)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001205007265 1370626466 /nfs/dbraw/zinc/62/64/66/1370626466.db2.gz HRLSBZSALPKYJQ-SFHVURJKSA-N 1 0 327.424 3.153 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205582208 1370799844 /nfs/dbraw/zinc/79/98/44/1370799844.db2.gz XHMPNLOVQNUNQB-HNNXBMFYSA-N 1 0 345.256 3.116 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC001116564895 1370937339 /nfs/dbraw/zinc/93/73/39/1370937339.db2.gz AMLSOSALOFIBHM-ZFWWWQNUSA-N 1 0 335.411 3.014 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(Br)c(F)cc2[O-])CCC[C@H]1C[NH3+] ZINC001206014027 1370938838 /nfs/dbraw/zinc/93/88/38/1370938838.db2.gz VFCRSUHUXOLVEZ-QWRGUYRKSA-N 1 0 345.256 3.101 20 10 EGCDRO CC[NH+](CC)C1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001116657253 1370952465 /nfs/dbraw/zinc/95/24/65/1370952465.db2.gz VUYGHMPZQCNCAN-MRXNPFEDSA-N 1 0 346.519 3.329 20 10 EGCDRO CCN(CC)c1ccc(CN2CCCC[C@](F)(C[NH3+])C2)c(OC)c1 ZINC001206343843 1371027446 /nfs/dbraw/zinc/02/74/46/1371027446.db2.gz JLVSAQPRDKFLJY-IBGZPJMESA-N 1 0 337.483 3.194 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C34CCCC4)cc2)CC1 ZINC001117801100 1371089746 /nfs/dbraw/zinc/08/97/46/1371089746.db2.gz CPQXQLQXHFOSKM-HXUWFJFHSA-N 1 0 344.499 3.181 20 10 EGCDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C2=CC(=O)CS2)CCC1 ZINC001118762937 1371223292 /nfs/dbraw/zinc/22/32/92/1371223292.db2.gz HQDJLLSCXCFZTN-UHFFFAOYSA-N 1 0 330.453 3.238 20 10 EGCDRO COc1ccc(N2CC[NH+](CCc3ccccc3OC)CC2)cc1 ZINC001207452661 1371399357 /nfs/dbraw/zinc/39/93/57/1371399357.db2.gz DDABOVHZRGUVAR-UHFFFAOYSA-N 1 0 326.440 3.069 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCc3ccc(C)o3)CC2)c(OC)c1 ZINC001207949372 1371548191 /nfs/dbraw/zinc/54/81/91/1371548191.db2.gz GPSPSGSOPMQGHN-UHFFFAOYSA-N 1 0 344.455 3.360 20 10 EGCDRO COCCC[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001209055654 1371985621 /nfs/dbraw/zinc/98/56/21/1371985621.db2.gz AIFNRXXYLOIKIJ-UHFFFAOYSA-N 1 0 340.467 3.424 20 10 EGCDRO Oc1ccc(F)c(Cl)c1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210382065 1372338405 /nfs/dbraw/zinc/33/84/05/1372338405.db2.gz DMEBSBCIUHTOOW-AWEZNQCLSA-N 1 0 334.822 3.201 20 10 EGCDRO COc1c[nH+]ccc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001211264221 1372515832 /nfs/dbraw/zinc/51/58/32/1372515832.db2.gz YXPPFFIHTLMTKW-UHFFFAOYSA-N 1 0 335.363 3.057 20 10 EGCDRO c1ccn(-c2ccc(-c3nnc([C@@H]4CCC5(CC[NH2+]CC5)N4)o3)cc2)c1 ZINC001217703852 1373490926 /nfs/dbraw/zinc/49/09/26/1373490926.db2.gz BXUNOCMWIAQXQN-KRWDZBQOSA-N 1 0 349.438 3.074 20 10 EGCDRO O=C1C=CC(=NNc2ccccc2)C(O[C@H]2C[C@H]3C[NH2+]CCN3C2)=C1 ZINC001218072411 1373554835 /nfs/dbraw/zinc/55/48/35/1373554835.db2.gz PHWSNKQXQIWMJB-SSIVSPEBSA-N 1 0 338.411 3.233 20 10 EGCDRO Fc1cc2c(c(F)c1)CC[C@@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218373438 1373603455 /nfs/dbraw/zinc/60/34/55/1373603455.db2.gz WVUSATRRJWDFIM-IBGZPJMESA-N 1 0 330.378 3.441 20 10 EGCDRO Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC001219205305 1373694147 /nfs/dbraw/zinc/69/41/47/1373694147.db2.gz BJCODXFNHCEQKQ-PNRJVAEASA-N 1 0 338.411 3.238 20 10 EGCDRO Oc1ccc(OCc2ccccc2)cc1CN1CC[C@]12CCC[NH2+]C2 ZINC001222198060 1373820181 /nfs/dbraw/zinc/82/01/81/1373820181.db2.gz UDQFENLMWZZVOD-NRFANRHFSA-N 1 0 338.451 3.299 20 10 EGCDRO Oc1cccc(Br)c1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390402 1373833604 /nfs/dbraw/zinc/83/36/04/1373833604.db2.gz PDVFUNPQPKUTIH-MRXNPFEDSA-N 1 0 339.277 3.263 20 10 EGCDRO c1c(CN2CCC[C@@]3(CCCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222390826 1373833990 /nfs/dbraw/zinc/83/39/90/1373833990.db2.gz VAPJHOIZBBKNKT-QFIPXVFZSA-N 1 0 339.527 3.494 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cccnc2)cc1C ZINC001133503226 1376044708 /nfs/dbraw/zinc/04/47/08/1376044708.db2.gz PDSSTOPZBLNDEX-HZPDHXFCSA-N 1 0 341.455 3.085 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC(C)=O)cc1C ZINC001133665834 1376144550 /nfs/dbraw/zinc/14/45/50/1376144550.db2.gz AVQWGCFOWAJVSI-CVEARBPZSA-N 1 0 348.487 3.136 20 10 EGCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231593829 1376273193 /nfs/dbraw/zinc/27/31/93/1376273193.db2.gz VNADJEOPIPNGGZ-GOSISDBHSA-N 1 0 333.472 3.356 20 10 EGCDRO Cc1cccc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1O ZINC001231592771 1376273803 /nfs/dbraw/zinc/27/38/03/1376273803.db2.gz UMNGUWLGVWSUCW-CALCHBBNSA-N 1 0 328.481 3.326 20 10 EGCDRO Cc1cccc(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)c1O ZINC001231592567 1376274221 /nfs/dbraw/zinc/27/42/21/1376274221.db2.gz STGFVAVCKFTATF-UHFFFAOYSA-N 1 0 332.444 3.286 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(O)c1 ZINC001231844474 1376325241 /nfs/dbraw/zinc/32/52/41/1376325241.db2.gz JFGWCCORBWDINI-DLBZAZTESA-N 1 0 342.464 3.450 20 10 EGCDRO Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001231845936 1376325345 /nfs/dbraw/zinc/32/53/45/1376325345.db2.gz VNFQJTCAGVPXQZ-NRFANRHFSA-N 1 0 336.435 3.129 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001231844356 1376325403 /nfs/dbraw/zinc/32/54/03/1376325403.db2.gz JJEBDTOUJVXESB-FXAWDEMLSA-N 1 0 331.456 3.169 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)c1 ZINC001231846200 1376325615 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HLLKCNKZBJGLFH-XHSDSOJGSA-N 1 0 326.440 3.260 20 10 EGCDRO Cc1c(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c2ccccc2n1C ZINC001138259337 1377694908 /nfs/dbraw/zinc/69/49/08/1377694908.db2.gz GIXXZEBWWPOJBV-INIZCTEOSA-N 1 0 336.439 3.320 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCC[C@@]1(C)O ZINC001138337663 1377705254 /nfs/dbraw/zinc/70/52/54/1377705254.db2.gz CNATUJWGHOFUHV-QVKFZJNVSA-N 1 0 344.499 3.074 20 10 EGCDRO COC(=O)CC[N@H+](Cc1ccc2c(c1)CCCN2C)C1CCCC1 ZINC001138358136 1377708475 /nfs/dbraw/zinc/70/84/75/1377708475.db2.gz NCYHFVGHFCCVAO-UHFFFAOYSA-N 1 0 330.472 3.377 20 10 EGCDRO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138358672 1377709434 /nfs/dbraw/zinc/70/94/34/1377709434.db2.gz XDXLDUDDZKDZPU-OAQYLSRUSA-N 1 0 341.499 3.046 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC)C2)c(OC)c1 ZINC001138390188 1377714213 /nfs/dbraw/zinc/71/42/13/1377714213.db2.gz OXAFSVZDWCHEKN-NVXWUHKLSA-N 1 0 348.487 3.172 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)c(OC)c1 ZINC001138390417 1377714665 /nfs/dbraw/zinc/71/46/65/1377714665.db2.gz VYXKYXNEASHTMO-INIZCTEOSA-N 1 0 334.460 3.069 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CCC(=O)OC)C2CC2)c(OC)c1 ZINC001138392289 1377715473 /nfs/dbraw/zinc/71/54/73/1377715473.db2.gz UPCODQDVVXJXFX-UHFFFAOYSA-N 1 0 334.460 3.069 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676484 1377766257 /nfs/dbraw/zinc/76/62/57/1377766257.db2.gz LEWXIWKPPAYCSY-ZDUSSCGKSA-N 1 0 339.277 3.128 20 10 EGCDRO COc1cc(CN2CC(F)(F)C[C@]2(C)CF)cc(C[NH+](C)C)c1O ZINC001139255074 1377857915 /nfs/dbraw/zinc/85/79/15/1377857915.db2.gz MCRSGBSFUYFBAJ-MRXNPFEDSA-N 1 0 346.393 3.032 20 10 EGCDRO Cc1cc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)ccc1N(C)C ZINC001139672568 1377930928 /nfs/dbraw/zinc/93/09/28/1377930928.db2.gz YGVGFEJDDZHKKA-ICSRJNTNSA-N 1 0 349.478 3.156 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(=O)n(C)c3ccccc23)cc1 ZINC001139762079 1377947554 /nfs/dbraw/zinc/94/75/54/1377947554.db2.gz VNADXZUPTHCWMA-UHFFFAOYSA-N 1 0 335.451 3.237 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)nc1OC ZINC001139923423 1377977687 /nfs/dbraw/zinc/97/76/87/1377977687.db2.gz AGZMPQBVVAXBIT-UHFFFAOYSA-N 1 0 329.444 3.187 20 10 EGCDRO Cc1ccc2nc(C3CC[NH+](Cc4cc(F)ccc4O)CC3)nn2c1 ZINC001140053933 1377996921 /nfs/dbraw/zinc/99/69/21/1377996921.db2.gz FOIMFUPPPLSKQR-UHFFFAOYSA-N 1 0 340.402 3.262 20 10 EGCDRO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058058 1377998281 /nfs/dbraw/zinc/99/82/81/1377998281.db2.gz RFJLGASYWCDZMG-GOSISDBHSA-N 1 0 338.423 3.411 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058059 1377998307 /nfs/dbraw/zinc/99/83/07/1377998307.db2.gz RFJLGASYWCDZMG-SFHVURJKSA-N 1 0 338.423 3.411 20 10 EGCDRO COc1ccc(CN2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)cc1 ZINC001140180620 1378027156 /nfs/dbraw/zinc/02/71/56/1378027156.db2.gz ZTUDSPFUNWULPX-UHFFFAOYSA-N 1 0 340.467 3.335 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c1O ZINC001140182356 1378027460 /nfs/dbraw/zinc/02/74/60/1378027460.db2.gz QFKXPVYTMNOLKJ-UHFFFAOYSA-N 1 0 334.460 3.356 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)c1O ZINC001140183327 1378028094 /nfs/dbraw/zinc/02/80/94/1378028094.db2.gz CBKNMCFKPKEXEW-UHFFFAOYSA-N 1 0 338.407 3.066 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001140184757 1378028258 /nfs/dbraw/zinc/02/82/58/1378028258.db2.gz HBGLPIWYZOVHOE-HOCLYGCPSA-N 1 0 332.444 3.060 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)c1O ZINC001140185010 1378028328 /nfs/dbraw/zinc/02/83/28/1378028328.db2.gz OFFZBOYUQYGYNA-UHFFFAOYSA-N 1 0 330.472 3.232 20 10 EGCDRO Cc1cc(O[C@H]2CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)ncn1 ZINC001140184864 1378028414 /nfs/dbraw/zinc/02/84/14/1378028414.db2.gz IRBAHOCFXKPEEC-INIZCTEOSA-N 1 0 327.428 3.151 20 10 EGCDRO O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140338932 1378048546 /nfs/dbraw/zinc/04/85/46/1378048546.db2.gz BDJAJSVKBPZCKV-OAHLLOKOSA-N 1 0 348.874 3.316 20 10 EGCDRO Oc1cccc(Cl)c1CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001140341312 1378048858 /nfs/dbraw/zinc/04/88/58/1378048858.db2.gz HIURHBVYUJXXBQ-UHFFFAOYSA-N 1 0 328.843 3.363 20 10 EGCDRO Oc1cccc(Cl)c1C[NH+]1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001140340227 1378049536 /nfs/dbraw/zinc/04/95/36/1378049536.db2.gz TWZFWPQEUDZDDA-STQMWFEESA-N 1 0 349.887 3.066 20 10 EGCDRO COc1ccc(OC2CC[NH+](Cc3c(O)cccc3Cl)CC2)nc1 ZINC001140342545 1378049807 /nfs/dbraw/zinc/04/98/07/1378049807.db2.gz OPNZYBQAIYJPCX-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464542 1378068238 /nfs/dbraw/zinc/06/82/38/1378068238.db2.gz UHKKWQZQBHVZFL-UHFFFAOYSA-N 1 0 344.842 3.394 20 10 EGCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467677 1378069124 /nfs/dbraw/zinc/06/91/24/1378069124.db2.gz UWTHPJNJLCMOIC-IRXDYDNUSA-N 1 0 325.836 3.063 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c1 ZINC001140620862 1378099541 /nfs/dbraw/zinc/09/95/41/1378099541.db2.gz BODNCOYRZMDQOG-NSHDSACASA-N 1 0 341.333 3.482 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)c1 ZINC001140619580 1378099697 /nfs/dbraw/zinc/09/96/97/1378099697.db2.gz IGUKNOTZPLCUNR-UHFFFAOYSA-N 1 0 338.455 3.126 20 10 EGCDRO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140624270 1378100414 /nfs/dbraw/zinc/10/04/14/1378100414.db2.gz NZASSYFAWGAYSH-MRXNPFEDSA-N 1 0 328.412 3.148 20 10 EGCDRO CO[C@H](CN1CC[NH+](Cc2cc(C)ccc2O)CC1)c1ccccc1 ZINC001140623784 1378100458 /nfs/dbraw/zinc/10/04/58/1378100458.db2.gz RLVGXPYOEGWVJN-OAQYLSRUSA-N 1 0 340.467 3.206 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1O ZINC001140749577 1378129570 /nfs/dbraw/zinc/12/95/70/1378129570.db2.gz FNTQCPWQRQLDMR-MJGOQNOKSA-N 1 0 338.451 3.113 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C)(C(=O)OC)CC2)c(O)c1 ZINC001140855110 1378158616 /nfs/dbraw/zinc/15/86/16/1378158616.db2.gz NWZNGFUVEDWBCB-UHFFFAOYSA-N 1 0 334.460 3.014 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)[C@H]2C)c(O)c1 ZINC001140855816 1378159216 /nfs/dbraw/zinc/15/92/16/1378159216.db2.gz LCLWKQGZCMAWJJ-PBHICJAKSA-N 1 0 334.460 3.012 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(Cl)c1 ZINC001140924595 1378181890 /nfs/dbraw/zinc/18/18/90/1378181890.db2.gz REFLQZAGWDWALQ-QGZVFWFLSA-N 1 0 331.847 3.454 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140948007 1378188676 /nfs/dbraw/zinc/18/86/76/1378188676.db2.gz PALUGSMORFKULD-JKSUJKDBSA-N 1 0 332.444 3.284 20 10 EGCDRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c(O)c1 ZINC001140952370 1378190032 /nfs/dbraw/zinc/19/00/32/1378190032.db2.gz PHKZFHJMARPDIB-SFHVURJKSA-N 1 0 331.456 3.251 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140954503 1378191654 /nfs/dbraw/zinc/19/16/54/1378191654.db2.gz UXPXAVQSWROCGW-GOSISDBHSA-N 1 0 338.423 3.139 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)CCC(=O)c2cccs2)c(OC)c1 ZINC001141031092 1378213817 /nfs/dbraw/zinc/21/38/17/1378213817.db2.gz XKPNMXYDHKJSIK-UHFFFAOYSA-N 1 0 335.425 3.176 20 10 EGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)[C@H]1C ZINC001141075998 1378232525 /nfs/dbraw/zinc/23/25/25/1378232525.db2.gz JBPPEMMHMMWQPA-HNAYVOBHSA-N 1 0 342.483 3.159 20 10 EGCDRO Cc1noc([C@H]2CC[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)n1 ZINC001141077892 1378232733 /nfs/dbraw/zinc/23/27/33/1378232733.db2.gz DZPAKBXLPPBBAU-SFHVURJKSA-N 1 0 338.455 3.066 20 10 EGCDRO c1ccc(N2CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)nc1 ZINC001141074694 1378232759 /nfs/dbraw/zinc/23/27/59/1378232759.db2.gz RDEDZRODALWCAK-UHFFFAOYSA-N 1 0 348.494 3.103 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141156934 1378253818 /nfs/dbraw/zinc/25/38/18/1378253818.db2.gz YFUUUTKPERHJER-IBGZPJMESA-N 1 0 348.443 3.073 20 10 EGCDRO O=C1CC2(CC[NH+](Cc3cc(O)ccc3O)CC2)Oc2ccccc21 ZINC001141159475 1378254725 /nfs/dbraw/zinc/25/47/25/1378254725.db2.gz GYZHILGZSGGMCV-UHFFFAOYSA-N 1 0 339.391 3.098 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1O ZINC001143112536 1378542381 /nfs/dbraw/zinc/54/23/81/1378542381.db2.gz VXGGFNQORVBBDN-UHFFFAOYSA-N 1 0 346.515 3.376 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1c(O)cc(O)cc1O ZINC001144509206 1378738898 /nfs/dbraw/zinc/73/88/98/1378738898.db2.gz OXUIBMKQJMXGIO-UHFFFAOYSA-N 1 0 328.412 3.036 20 10 EGCDRO C[C@H]1OC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c2ccccc21 ZINC001144520627 1378740318 /nfs/dbraw/zinc/74/03/18/1378740318.db2.gz WVOMDSZLPJFQMF-CYBMUJFWSA-N 1 0 341.407 3.386 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C2(C)CCC(C)CC2)cc1C ZINC001152928106 1379994860 /nfs/dbraw/zinc/99/48/60/1379994860.db2.gz QTYPSEPKLLMNFO-UHFFFAOYSA-N 1 0 332.488 3.426 20 10 EGCDRO Cc1ncnc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1C ZINC001155629716 1380476185 /nfs/dbraw/zinc/47/61/85/1380476185.db2.gz NIKPGKXYQAUTDZ-MTQWCTHYSA-N 1 0 338.499 3.493 20 10 EGCDRO COc1cc(Cl)ncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156656460 1380605248 /nfs/dbraw/zinc/60/52/48/1380605248.db2.gz UVZJWDPIEUSIMW-UHFFFAOYSA-N 1 0 346.862 3.108 20 10 EGCDRO CSCc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001156658985 1380605947 /nfs/dbraw/zinc/60/59/47/1380605947.db2.gz IGOZHOGDNMSMFX-UHFFFAOYSA-N 1 0 342.512 3.309 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cc(C4CCC4)ncn3)cc2)CC1 ZINC001156659427 1380605989 /nfs/dbraw/zinc/60/59/89/1380605989.db2.gz LSINPFSXRCPWPR-UHFFFAOYSA-N 1 0 337.471 3.108 20 10 EGCDRO CCCCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC001156660049 1380606456 /nfs/dbraw/zinc/60/64/56/1380606456.db2.gz RZAWZPLHRLNKJE-UHFFFAOYSA-N 1 0 339.487 3.183 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C=C1CC[NH2+]CC1 ZINC001157432831 1380890187 /nfs/dbraw/zinc/89/01/87/1380890187.db2.gz GTCUBTGJAFMOFF-LJQANCHMSA-N 1 0 328.456 3.058 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)CC(C)(C)C2CC2)cc1C ZINC001157557984 1380965544 /nfs/dbraw/zinc/96/55/44/1380965544.db2.gz UUPRUVJDJMVQRI-UHFFFAOYSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1C ZINC001161396858 1382398257 /nfs/dbraw/zinc/39/82/57/1382398257.db2.gz WOSFGHFVNJOLFF-KSZLIROESA-N 1 0 330.472 3.036 20 10 EGCDRO CCCc1[nH]ccc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001164415871 1383185251 /nfs/dbraw/zinc/18/52/51/1383185251.db2.gz GLNWKLSTIDDIKB-UHFFFAOYSA-N 1 0 343.471 3.194 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2CCC(F)CC2)cc1C ZINC001165956231 1383370394 /nfs/dbraw/zinc/37/03/94/1383370394.db2.gz LWITYYGEUNENFY-UHFFFAOYSA-N 1 0 336.451 3.128 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C[C@@H]3C[C@@H]3C)CC2)cc1C ZINC001166994449 1383512252 /nfs/dbraw/zinc/51/22/52/1383512252.db2.gz MMUDJRZZZASKIS-YJBOKZPZSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C3(CF)CC3)CC2)cc1C ZINC001167168039 1383557070 /nfs/dbraw/zinc/55/70/70/1383557070.db2.gz XBUSSGNAGGDVJS-UHFFFAOYSA-N 1 0 348.462 3.129 20 10 EGCDRO COc1cc(C)c(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1Cl ZINC001167374620 1383614630 /nfs/dbraw/zinc/61/46/30/1383614630.db2.gz NVWMKVVACMJCCE-UHFFFAOYSA-N 1 0 346.858 3.391 20 10 EGCDRO CC(C)C1=[NH+]CCc2ccc(NCCc3cc(O)c(O)cc3O)cc21 ZINC001168013607 1383796530 /nfs/dbraw/zinc/79/65/30/1383796530.db2.gz HQRFMAWHKOWOSE-UHFFFAOYSA-N 1 0 340.423 3.459 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(NCC2([NH+]3CCCC3)COC2)cc1 ZINC001168451566 1383909212 /nfs/dbraw/zinc/90/92/12/1383909212.db2.gz PLMIOCYOUWBVIF-UHFFFAOYSA-N 1 0 325.456 3.371 20 10 EGCDRO CC1(C)NC(=O)Cc2cc(N3C[C@H](CC[NH3+])c4ccccc43)ccc21 ZINC001168550042 1383934711 /nfs/dbraw/zinc/93/47/11/1383934711.db2.gz XIWSINQMZKXPMJ-AWEZNQCLSA-N 1 0 335.451 3.178 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001169990745 1384211941 /nfs/dbraw/zinc/21/19/41/1384211941.db2.gz MUKMDOOQQUTPHU-AWEZNQCLSA-N 1 0 327.428 3.479 20 10 EGCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)cc1O ZINC001170897190 1384407362 /nfs/dbraw/zinc/40/73/62/1384407362.db2.gz MBTICCBHYLIYRU-CYBMUJFWSA-N 1 0 333.815 3.146 20 10 EGCDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]CCc1ccc(O)c(O)c1)CC2 ZINC001171287382 1384486182 /nfs/dbraw/zinc/48/61/82/1384486182.db2.gz FNEPAAIMIWABTC-CYBMUJFWSA-N 1 0 347.842 3.449 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171805742 1384643916 /nfs/dbraw/zinc/64/39/16/1384643916.db2.gz PXWFLVRNGGBYJI-LJQANCHMSA-N 1 0 340.442 3.262 20 10 EGCDRO CCC/C=C\CC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238469 1385880414 /nfs/dbraw/zinc/88/04/14/1385880414.db2.gz XTOUSGBFCSPWIF-KDPAUERLSA-N 1 0 345.447 3.305 20 10 EGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320493586 1386626248 /nfs/dbraw/zinc/62/62/48/1386626248.db2.gz AYQLDOVEJWLGSD-LJQANCHMSA-N 1 0 343.515 3.415 20 10 EGCDRO CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001180253587 1386746922 /nfs/dbraw/zinc/74/69/22/1386746922.db2.gz CEPFTIUBRZTNCM-BBRMVZONSA-N 1 0 343.431 3.008 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1O ZINC001181506023 1387006946 /nfs/dbraw/zinc/00/69/46/1387006946.db2.gz NBOMIIGNYIJETB-QRWLVFNGSA-N 1 0 327.424 3.174 20 10 EGCDRO C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccncc1)c1ccccc1O ZINC001329880777 1389244967 /nfs/dbraw/zinc/24/49/67/1389244967.db2.gz CROORKDOCYUPOX-QAPCUYQASA-N 1 0 339.439 3.019 20 10 EGCDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001337428522 1389341668 /nfs/dbraw/zinc/34/16/68/1389341668.db2.gz FWZZFXBGGMIXTG-GFCCVEGCSA-N 1 0 348.834 3.107 20 10 EGCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337872278 1389465335 /nfs/dbraw/zinc/46/53/35/1389465335.db2.gz VVZLCPKPBIMQBZ-AWEZNQCLSA-N 1 0 347.400 3.398 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)c(O)c1OC ZINC001333709165 1390380115 /nfs/dbraw/zinc/38/01/15/1390380115.db2.gz BAQGBSZUDVYZIH-OAHLLOKOSA-N 1 0 329.396 3.413 20 10 EGCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC001334890786 1390614347 /nfs/dbraw/zinc/61/43/47/1390614347.db2.gz MSLYDPHMAKDVBC-ZDUSSCGKSA-N 1 0 336.229 3.020 20 10 EGCDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)cc(OC)c1 ZINC001335285473 1390666573 /nfs/dbraw/zinc/66/65/73/1390666573.db2.gz OBQDURWBYGWJRQ-QGZVFWFLSA-N 1 0 341.455 3.363 20 10 EGCDRO COc1ccc(CNc2ccc(C)cc2C[NH+](C)C)c(O)c1OC ZINC001335431170 1390683938 /nfs/dbraw/zinc/68/39/38/1390683938.db2.gz BRLWAIARZGCGRK-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO Cn1cc([C@H]2CSCCN2Cc2ccc(N3CCCC3)cc2)cn1 ZINC001343594372 1390725177 /nfs/dbraw/zinc/72/51/77/1390725177.db2.gz BKJXQJSJSOQOMK-LJQANCHMSA-N 1 0 342.512 3.310 20 10 EGCDRO CCC[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCN(C)C1 ZINC001350625479 1391493808 /nfs/dbraw/zinc/49/38/08/1391493808.db2.gz CGGQRVHJEINQTO-AWEZNQCLSA-N 1 0 327.266 3.071 20 10 EGCDRO CC[C@H](CNC(=O)c1cccnc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753484978 1440417457 /nfs/dbraw/zinc/41/74/57/1440417457.db2.gz UOHWTHGQIXEHEG-QGZVFWFLSA-N 1 0 341.455 3.005 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2occc2C)C2CC2)cc1C ZINC001754433320 1440597449 /nfs/dbraw/zinc/59/74/49/1440597449.db2.gz CXOMXBJKGVLGNB-QGZVFWFLSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CC34CCCC4)CC2)cc1C ZINC001754530738 1440622340 /nfs/dbraw/zinc/62/23/40/1440622340.db2.gz CUGFFHWEZPHWNJ-QGZVFWFLSA-N 1 0 342.483 3.322 20 10 EGCDRO CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755619701 1440890200 /nfs/dbraw/zinc/89/02/00/1440890200.db2.gz ZGZSQDLWNKQRSA-CYBMUJFWSA-N 1 0 347.463 3.335 20 10 EGCDRO CC(C)N(CC[N@H+](C)C(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755815632 1440923423 /nfs/dbraw/zinc/92/34/23/1440923423.db2.gz QIJHORMCYIHASG-UHFFFAOYSA-N 1 0 333.436 3.040 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccn(-c4ccccc4)n3)cc2)CC1 ZINC000095459052 258067208 /nfs/dbraw/zinc/06/72/08/258067208.db2.gz PHYCSCOGDLUCLS-UHFFFAOYSA-N 1 0 347.466 3.236 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(Br)cc1 ZINC000264593631 455244474 /nfs/dbraw/zinc/24/44/74/455244474.db2.gz HMYOMQYTVZCEJN-INIZCTEOSA-N 1 0 336.229 3.320 20 10 EGCDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000183251260 455261622 /nfs/dbraw/zinc/26/16/22/455261622.db2.gz QLZRGPXKRGBVFE-ZDUSSCGKSA-N 1 0 326.375 3.305 20 10 EGCDRO CCOC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000158072775 455265890 /nfs/dbraw/zinc/26/58/90/455265890.db2.gz SXQXUXTWCNDNRR-UHFFFAOYSA-N 1 0 330.472 3.452 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC ZINC000181478916 455340734 /nfs/dbraw/zinc/34/07/34/455340734.db2.gz QMGCAAPPFNTAHM-UHFFFAOYSA-N 1 0 326.396 3.223 20 10 EGCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000120023921 454249387 /nfs/dbraw/zinc/24/93/87/454249387.db2.gz ZNWRCXGODNYKDA-GFCCVEGCSA-N 1 0 348.830 3.021 20 10 EGCDRO CC[NH+](CC)CCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000131409441 454251529 /nfs/dbraw/zinc/25/15/29/454251529.db2.gz ZHYZFGDHDJNDLV-INIZCTEOSA-N 1 0 337.483 3.045 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCCO1 ZINC000160175082 455435360 /nfs/dbraw/zinc/43/53/60/455435360.db2.gz MYAXQOMNVHCYLQ-SFHVURJKSA-N 1 0 337.423 3.450 20 10 EGCDRO CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090801193 454341976 /nfs/dbraw/zinc/34/19/76/454341976.db2.gz ITZRVONPLBOPGQ-OAHLLOKOSA-N 1 0 338.467 3.112 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000121377999 454427392 /nfs/dbraw/zinc/42/73/92/454427392.db2.gz OFSHXFBFRYSKAT-UHFFFAOYSA-N 1 0 340.423 3.257 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c(O)c1 ZINC000091833049 454478329 /nfs/dbraw/zinc/47/83/29/454478329.db2.gz XTYUEGQBXCIWNQ-HNNXBMFYSA-N 1 0 331.416 3.252 20 10 EGCDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(C)ccc3O)CC2)nc1 ZINC000092002875 454501935 /nfs/dbraw/zinc/50/19/35/454501935.db2.gz YLHOPXTZSYOPOY-UHFFFAOYSA-N 1 0 339.439 3.255 20 10 EGCDRO c1ccc2c(c1)C=C(C[NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC000102424082 454505070 /nfs/dbraw/zinc/50/50/70/454505070.db2.gz PKNYFGYKTADXND-UHFFFAOYSA-N 1 0 336.435 3.089 20 10 EGCDRO CCCOc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)c(O)c1 ZINC000122104029 454508910 /nfs/dbraw/zinc/50/89/10/454508910.db2.gz GTGMBQRXNJZFPR-UHFFFAOYSA-N 1 0 329.444 3.290 20 10 EGCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(C)ccc3O)CC2)c(C)o1 ZINC000093009561 454669663 /nfs/dbraw/zinc/66/96/63/454669663.db2.gz CZDVPYRMPYFQQY-UHFFFAOYSA-N 1 0 342.439 3.305 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093504817 454719582 /nfs/dbraw/zinc/71/95/82/454719582.db2.gz XJZGNDBWEZLPJL-IAQYHMDHSA-N 1 0 326.234 3.156 20 10 EGCDRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769640 454836118 /nfs/dbraw/zinc/83/61/18/454836118.db2.gz NWVJVQJHWIHZLD-GJZGRUSLSA-N 1 0 342.439 3.099 20 10 EGCDRO COCCCn1c(C)cc(C(=O)CN(C)Cc2ccccc2O)c1C ZINC000111235726 454859151 /nfs/dbraw/zinc/85/91/51/454859151.db2.gz HIYWPVRAJGTTKJ-UHFFFAOYSA-N 1 0 344.455 3.162 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000154740145 454925505 /nfs/dbraw/zinc/92/55/05/454925505.db2.gz QANFGVUIJNIZEB-SBUREZEXSA-N 1 0 333.453 3.000 20 10 EGCDRO CCOc1ncccc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000151195156 454951257 /nfs/dbraw/zinc/95/12/57/454951257.db2.gz WHMXHPVLOAPWPE-UHFFFAOYSA-N 1 0 341.455 3.248 20 10 EGCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178723480 454970047 /nfs/dbraw/zinc/97/00/47/454970047.db2.gz JRMIGQRUSPVGEF-KBPBESRZSA-N 1 0 346.450 3.116 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cncs1 ZINC000151528714 454997360 /nfs/dbraw/zinc/99/73/60/454997360.db2.gz KCEATPXLTGYBKA-LBPRGKRZSA-N 1 0 335.448 3.094 20 10 EGCDRO CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1cccc(OC)c1O ZINC000179557584 455058084 /nfs/dbraw/zinc/05/80/84/455058084.db2.gz KBPQDOWPQYGLAF-QGZVFWFLSA-N 1 0 343.423 3.007 20 10 EGCDRO COc1cc(O)c(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1OC ZINC000179838482 455087180 /nfs/dbraw/zinc/08/71/80/455087180.db2.gz KKBFNCIRCHGQRS-INIZCTEOSA-N 1 0 347.411 3.184 20 10 EGCDRO CC[C@H]([NH2+]CCC(=O)NC(C)C)c1cc(Br)ccc1O ZINC000128901712 455090540 /nfs/dbraw/zinc/09/05/40/455090540.db2.gz HGPGXZXWFWTHMC-ZDUSSCGKSA-N 1 0 343.265 3.110 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000179928614 455100564 /nfs/dbraw/zinc/10/05/64/455100564.db2.gz HUSHIHZMFQTPOE-KRWDZBQOSA-N 1 0 343.402 3.236 20 10 EGCDRO COC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ccco1 ZINC000156628134 455139784 /nfs/dbraw/zinc/13/97/84/455139784.db2.gz YQRMIFRQNHOGBA-GOSISDBHSA-N 1 0 330.428 3.234 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000189484966 455204083 /nfs/dbraw/zinc/20/40/83/455204083.db2.gz IKQPTPQHYRYAJE-UHFFFAOYSA-N 1 0 332.444 3.357 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000183440095 455292470 /nfs/dbraw/zinc/29/24/70/455292470.db2.gz WYVHBKLCQILMMX-KGLIPLIRSA-N 1 0 348.468 3.054 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(C)n1-c1ccc(F)cc1 ZINC000158629638 455317617 /nfs/dbraw/zinc/31/76/17/455317617.db2.gz CSYFCTUGRKTRGM-FQEVSTJZSA-N 1 0 341.430 3.059 20 10 EGCDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000184296363 455368798 /nfs/dbraw/zinc/36/87/98/455368798.db2.gz CCKHHJNUSHVWFG-OKHZJLECSA-N 1 0 326.481 3.234 20 10 EGCDRO COc1ccccc1C(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182153125 455447280 /nfs/dbraw/zinc/44/72/80/455447280.db2.gz QBAHNYYOPKZLTE-UHFFFAOYSA-N 1 0 331.412 3.443 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1OC ZINC000184813712 455451970 /nfs/dbraw/zinc/45/19/70/455451970.db2.gz RAVXBPJBOYAIEE-HXUWFJFHSA-N 1 0 341.407 3.041 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C)cc2O)N2CCOCC2)o1 ZINC000184909644 455470425 /nfs/dbraw/zinc/47/04/25/455470425.db2.gz MSCDSUYEOBFDCU-SJLPKXTDSA-N 1 0 344.455 3.326 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(C)ccc2O)N2CCOCC2)o1 ZINC000184909316 455470799 /nfs/dbraw/zinc/47/07/99/455470799.db2.gz BCYYTFGLAJCHQK-SJLPKXTDSA-N 1 0 344.455 3.326 20 10 EGCDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000185084598 455498575 /nfs/dbraw/zinc/49/85/75/455498575.db2.gz TZMIXFNLCDFZMH-LBPRGKRZSA-N 1 0 326.375 3.271 20 10 EGCDRO COc1ccc(O)c(CN[C@@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000191600208 455501943 /nfs/dbraw/zinc/50/19/43/455501943.db2.gz QQKLWZXQWYBXBT-ZDUSSCGKSA-N 1 0 339.395 3.225 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1O ZINC000191712947 455511801 /nfs/dbraw/zinc/51/18/01/455511801.db2.gz LANNVQVLPGEHJL-MGPUTAFESA-N 1 0 329.440 3.120 20 10 EGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185155359 455512001 /nfs/dbraw/zinc/51/20/01/455512001.db2.gz QLMVSMXEAVVKKP-GHMZBOCLSA-N 1 0 343.265 3.110 20 10 EGCDRO Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(O)c1O ZINC000182446044 455515681 /nfs/dbraw/zinc/51/56/81/455515681.db2.gz CVAXFLNCPIHJFH-HOTGVXAUSA-N 1 0 346.471 3.133 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836071 455524695 /nfs/dbraw/zinc/52/46/95/455524695.db2.gz USUNDLOVQRIQNW-HKUYNNGSSA-N 1 0 340.467 3.334 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NCc3cc(C)ccc3O)c2)CC1 ZINC000191885735 455528950 /nfs/dbraw/zinc/52/89/50/455528950.db2.gz KGBOQCIXGSKHCS-UHFFFAOYSA-N 1 0 325.456 3.455 20 10 EGCDRO CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])[C@H](C)C1 ZINC000185461185 455561438 /nfs/dbraw/zinc/56/14/38/455561438.db2.gz CJRIKSOQYPFCCS-RVKKMQEKSA-N 1 0 338.467 3.319 20 10 EGCDRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)ccc1O ZINC000185464943 455561825 /nfs/dbraw/zinc/56/18/25/455561825.db2.gz JCWOVQAOJUIJLA-DOMZBBRYSA-N 1 0 328.387 3.267 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@@](=O)C1 ZINC000277569235 455601372 /nfs/dbraw/zinc/60/13/72/455601372.db2.gz SMLLWYOSWKZCJL-NPMXOYFQSA-N 1 0 329.465 3.260 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271557285 455683090 /nfs/dbraw/zinc/68/30/90/455683090.db2.gz NRQKNEZCYOOTCI-PMPSAXMXSA-N 1 0 336.451 3.128 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)c1 ZINC000186061016 455686209 /nfs/dbraw/zinc/68/62/09/455686209.db2.gz ZKECCXVDPYSXKW-LBPRGKRZSA-N 1 0 343.402 3.320 20 10 EGCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc2ccccc2c1O ZINC000186089916 455691144 /nfs/dbraw/zinc/69/11/44/455691144.db2.gz AHUCAZOCDUYAPG-ZDUSSCGKSA-N 1 0 333.453 3.021 20 10 EGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1Oc1ccccc1 ZINC000186275888 455731448 /nfs/dbraw/zinc/73/14/48/455731448.db2.gz YXAAUUOPCRTQFR-IHPCNDPISA-N 1 0 343.423 3.115 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000186372815 455753753 /nfs/dbraw/zinc/75/37/53/455753753.db2.gz SZHJNAZXYVCRIS-CQSZACIVSA-N 1 0 333.453 3.345 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](O)c1c(F)cccc1F ZINC000271792756 455762205 /nfs/dbraw/zinc/76/22/05/455762205.db2.gz HEADBLUGWKLYPK-QAPCUYQASA-N 1 0 337.366 3.281 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293607847 455792788 /nfs/dbraw/zinc/79/27/88/455792788.db2.gz DWLXSNSOWQKQSH-OAHLLOKOSA-N 1 0 334.460 3.096 20 10 EGCDRO CC(=O)NCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293744488 455796345 /nfs/dbraw/zinc/79/63/45/455796345.db2.gz NTILYXCYVNMFQN-LJQANCHMSA-N 1 0 326.440 3.182 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c(O)c1 ZINC000293787622 455797232 /nfs/dbraw/zinc/79/72/32/455797232.db2.gz QLBBSERQZHGUPB-ZBFHGGJFSA-N 1 0 333.403 3.239 20 10 EGCDRO COCCOCC[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000271883567 455798051 /nfs/dbraw/zinc/79/80/51/455798051.db2.gz VPCQECVULVJKBB-UHFFFAOYSA-N 1 0 345.439 3.066 20 10 EGCDRO Oc1ccc(F)cc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186593935 455800766 /nfs/dbraw/zinc/80/07/66/455800766.db2.gz DVRJOLQLMTVPPS-UHFFFAOYSA-N 1 0 333.378 3.240 20 10 EGCDRO OCCOCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294322200 455811473 /nfs/dbraw/zinc/81/14/73/455811473.db2.gz OKYHFEZFGRXDEW-IBGZPJMESA-N 1 0 329.440 3.055 20 10 EGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772719 455828084 /nfs/dbraw/zinc/82/80/84/455828084.db2.gz KGYBOFVXKSYBKC-UONOGXRCSA-N 1 0 334.460 3.075 20 10 EGCDRO Cc1nccn1CCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000272058202 455835200 /nfs/dbraw/zinc/83/52/00/455835200.db2.gz RNRDPZBDPFZDTP-UHFFFAOYSA-N 1 0 338.249 3.148 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C12CCC[NH+]1CCC2 ZINC000278777180 455848379 /nfs/dbraw/zinc/84/83/79/455848379.db2.gz XMEHMHILLVOMCF-UHFFFAOYSA-N 1 0 341.499 3.264 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC(=O)NCC2CC2)cc1 ZINC000295459055 455850114 /nfs/dbraw/zinc/85/01/14/455850114.db2.gz QSFSJUGKTDQOIW-UHFFFAOYSA-N 1 0 343.496 3.000 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C)CC2)c1O ZINC000186946884 455854988 /nfs/dbraw/zinc/85/49/88/455854988.db2.gz KZWGUOCSJOCCDI-NSHDSACASA-N 1 0 327.266 3.208 20 10 EGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295741552 455858415 /nfs/dbraw/zinc/85/84/15/455858415.db2.gz MUVHTYFBRDINLX-OAQYLSRUSA-N 1 0 346.515 3.286 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000296086695 455868456 /nfs/dbraw/zinc/86/84/56/455868456.db2.gz SWYRFNZMBVLZJQ-QGZVFWFLSA-N 1 0 342.414 3.145 20 10 EGCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000279664579 455870650 /nfs/dbraw/zinc/87/06/50/455870650.db2.gz DUDSWRGGLXGGFF-UWJYYQICSA-N 1 0 340.467 3.389 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000270208055 455902271 /nfs/dbraw/zinc/90/22/71/455902271.db2.gz ZTZCXMFNPTWWSD-NPMABZOXSA-N 1 0 333.453 3.379 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H]3CCc4cccc(O)c43)n2)c1 ZINC000296447250 455941205 /nfs/dbraw/zinc/94/12/05/455941205.db2.gz MZPZJXSHNLAPFF-TZMCWYRMSA-N 1 0 335.411 3.219 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]CCCOCCOCc1ccccc1 ZINC000272471452 455962503 /nfs/dbraw/zinc/96/25/03/455962503.db2.gz AGXLQUIKROOFBR-UHFFFAOYSA-N 1 0 333.403 3.244 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc(Br)ccc1O ZINC000296595317 455984234 /nfs/dbraw/zinc/98/42/34/455984234.db2.gz VGXSAAUBBPSBJL-OSMZGAPFSA-N 1 0 328.250 3.356 20 10 EGCDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(O)c1O ZINC000188200682 456019791 /nfs/dbraw/zinc/01/97/91/456019791.db2.gz DLPGUMLARDYPIH-UHFFFAOYSA-N 1 0 344.411 3.071 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693288 456042500 /nfs/dbraw/zinc/04/25/00/456042500.db2.gz XHYRWLFMDCDHJE-LSDHHAIUSA-N 1 0 334.460 3.436 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1 ZINC000296820814 456045712 /nfs/dbraw/zinc/04/57/12/456045712.db2.gz NIIGAFHSZOQCQM-IBGZPJMESA-N 1 0 346.496 3.016 20 10 EGCDRO CC(C)C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)Nc1nccs1 ZINC000296833361 456048562 /nfs/dbraw/zinc/04/85/62/456048562.db2.gz MRQNSJDCDSUKJL-KBPBESRZSA-N 1 0 345.468 3.479 20 10 EGCDRO FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000287599397 456073904 /nfs/dbraw/zinc/07/39/04/456073904.db2.gz INQIZORHBDYKPT-GOEBONIOSA-N 1 0 328.378 3.486 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000188525109 456078926 /nfs/dbraw/zinc/07/89/26/456078926.db2.gz USUDADQOWAODRQ-GFCCVEGCSA-N 1 0 346.393 3.326 20 10 EGCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296977065 456080997 /nfs/dbraw/zinc/08/09/97/456080997.db2.gz VCNDCMGVSSUDGK-OAHLLOKOSA-N 1 0 345.512 3.341 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1O ZINC000272868731 456096425 /nfs/dbraw/zinc/09/64/25/456096425.db2.gz OGMFDQYTRMNDGT-UONOGXRCSA-N 1 0 348.468 3.054 20 10 EGCDRO CC[N@H+](Cc1c(C)cnn1C)Cc1cc(Br)ccc1O ZINC000289302205 456120501 /nfs/dbraw/zinc/12/05/01/456120501.db2.gz RBYCXWQRQBZODJ-UHFFFAOYSA-N 1 0 338.249 3.219 20 10 EGCDRO COC[C@@]1(C[NH2+][C@H](C)c2cc(F)ccc2O)OCCc2ccccc21 ZINC000289802782 456142723 /nfs/dbraw/zinc/14/27/23/456142723.db2.gz OBFDESDAVJQSMA-JLTOFOAXSA-N 1 0 345.414 3.297 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000281263086 456183057 /nfs/dbraw/zinc/18/30/57/456183057.db2.gz NGPVTDOLSWMPQE-UHFFFAOYSA-N 1 0 342.317 3.027 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc(N2CCCC2)n1 ZINC000289943820 456191125 /nfs/dbraw/zinc/19/11/25/456191125.db2.gz XAJOFBVXVYXKDG-UHFFFAOYSA-N 1 0 342.462 3.485 20 10 EGCDRO Cc1noc(CCC[NH2+][C@H](C)c2ccc(Br)cc2O)n1 ZINC000273344746 456223715 /nfs/dbraw/zinc/22/37/15/456223715.db2.gz AKOKQAVLTWDFNK-SECBINFHSA-N 1 0 340.221 3.130 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273349384 456223820 /nfs/dbraw/zinc/22/38/20/456223820.db2.gz BHVHBYJQSNKXLG-HNNXBMFYSA-N 1 0 330.428 3.381 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000273344670 456223971 /nfs/dbraw/zinc/22/39/71/456223971.db2.gz AIJFARAYGXGQDY-PNPHSEOMSA-N 1 0 335.831 3.181 20 10 EGCDRO C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1cc(F)ccc1O ZINC000273514686 456235694 /nfs/dbraw/zinc/23/56/94/456235694.db2.gz SFLWKUQUQLKPMN-CZUORRHYSA-N 1 0 344.434 3.240 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000290190974 456262944 /nfs/dbraw/zinc/26/29/44/456262944.db2.gz ORVYLFACSJKSJI-FQEVSTJZSA-N 1 0 329.415 3.267 20 10 EGCDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000290271233 456277774 /nfs/dbraw/zinc/27/77/74/456277774.db2.gz WEKMSKHSAUPIFJ-UXHICEINSA-N 1 0 343.515 3.269 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N1CCCC1 ZINC000281745193 456308262 /nfs/dbraw/zinc/30/82/62/456308262.db2.gz VSPUSZIEGQYYFK-HOTGVXAUSA-N 1 0 347.478 3.478 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000290385496 456313071 /nfs/dbraw/zinc/31/30/71/456313071.db2.gz RXPFGXATUDLVIL-DCPHZVHLSA-N 1 0 326.440 3.288 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1O ZINC000282411605 456505888 /nfs/dbraw/zinc/50/58/88/456505888.db2.gz SEPVNASGEKMOCQ-LJQANCHMSA-N 1 0 347.842 3.368 20 10 EGCDRO COc1ccc([C@H](O)C2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000291155943 456548534 /nfs/dbraw/zinc/54/85/34/456548534.db2.gz BWTIUVWKNFYHGI-FQEVSTJZSA-N 1 0 327.424 3.346 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1O ZINC000291160940 456550619 /nfs/dbraw/zinc/55/06/19/456550619.db2.gz CKFAYRHGUICWTR-OAQYLSRUSA-N 1 0 341.451 3.218 20 10 EGCDRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000291171790 456554027 /nfs/dbraw/zinc/55/40/27/456554027.db2.gz JZDNWONIORFCIM-IFXJQAMLSA-N 1 0 336.451 3.128 20 10 EGCDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000282692001 456593150 /nfs/dbraw/zinc/59/31/50/456593150.db2.gz PKENXRCCPZUKQZ-UHFFFAOYSA-N 1 0 335.455 3.240 20 10 EGCDRO COCC[C@@H]1COCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000291359729 456618535 /nfs/dbraw/zinc/61/85/35/456618535.db2.gz YDGMSKONKVSQPY-LJQANCHMSA-N 1 0 327.424 3.297 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000291626378 456699283 /nfs/dbraw/zinc/69/92/83/456699283.db2.gz RYUYNCIDZZWKML-VQIMIIECSA-N 1 0 347.842 3.310 20 10 EGCDRO CCOCc1cc(CNC2CC[NH+](C3CCC3)CC2)ccc1OC ZINC000299478692 456706579 /nfs/dbraw/zinc/70/65/79/456706579.db2.gz ZYNWBOZZQOGJGV-UHFFFAOYSA-N 1 0 332.488 3.338 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000291953038 456809088 /nfs/dbraw/zinc/80/90/88/456809088.db2.gz VRPXHVWCEONKBL-SFHVURJKSA-N 1 0 329.488 3.168 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCN1Cc1ccccc1 ZINC000352122908 457340369 /nfs/dbraw/zinc/34/03/69/457340369.db2.gz UNMRKDUNGWCGSH-HXUWFJFHSA-N 1 0 347.462 3.377 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000378428588 457395114 /nfs/dbraw/zinc/39/51/14/457395114.db2.gz JPYSPPGYXNSPDT-XOKHGSTOSA-N 1 0 338.879 3.167 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCCC3CCOCC3)CC2)cc1 ZINC000364068435 457476857 /nfs/dbraw/zinc/47/68/57/457476857.db2.gz SETCGFWEHCVHIT-UHFFFAOYSA-N 1 0 332.488 3.414 20 10 EGCDRO [NH2+]=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000364229166 457535635 /nfs/dbraw/zinc/53/56/35/457535635.db2.gz FPAMFKVYRMJCFR-LJQANCHMSA-N 1 0 348.450 3.201 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000364238462 457540753 /nfs/dbraw/zinc/54/07/53/457540753.db2.gz RPDYWRYYMJYXBV-UHFFFAOYSA-N 1 0 332.488 3.304 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000370214901 457587834 /nfs/dbraw/zinc/58/78/34/457587834.db2.gz ISLKXKMCUWCRQX-ZDUSSCGKSA-N 1 0 347.846 3.046 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCOC1 ZINC000366298879 457805169 /nfs/dbraw/zinc/80/51/69/457805169.db2.gz KTGQJETXSJXBEF-VBQJREDUSA-N 1 0 338.879 3.025 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(C)cc1O ZINC000366420913 457810733 /nfs/dbraw/zinc/81/07/33/457810733.db2.gz XRYIAEJUZHWMAQ-IAGOWNOFSA-N 1 0 329.444 3.008 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1O ZINC000375350457 457892281 /nfs/dbraw/zinc/89/22/81/457892281.db2.gz WIBIZPBIAKLGBT-UHFFFAOYSA-N 1 0 331.391 3.145 20 10 EGCDRO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000367932274 457998663 /nfs/dbraw/zinc/99/86/63/457998663.db2.gz REDBJNQUGFWHGT-UHFFFAOYSA-N 1 0 329.371 3.332 20 10 EGCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c(O)ccc3ccccc31)C[C@@H](C)O2 ZINC000369383694 458197491 /nfs/dbraw/zinc/19/74/91/458197491.db2.gz NAFKJPKAMBNHEI-QEEYODRMSA-N 1 0 327.424 3.314 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000472047582 458764327 /nfs/dbraw/zinc/76/43/27/458764327.db2.gz LGJAXXFWASWQRR-OAHLLOKOSA-N 1 0 344.503 3.262 20 10 EGCDRO CCCCN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592476402 459609709 /nfs/dbraw/zinc/60/97/09/459609709.db2.gz RIYDOIIGESCTSG-HNNXBMFYSA-N 1 0 326.444 3.166 20 10 EGCDRO CCn1nncc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000527919300 459772236 /nfs/dbraw/zinc/77/22/36/459772236.db2.gz GYZMSNUOKNOSKI-LJQANCHMSA-N 1 0 336.439 3.467 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c(C(F)(F)F)c1 ZINC000280693886 547373368 /nfs/dbraw/zinc/37/33/68/547373368.db2.gz VYHAOQDPKDMQKV-OAHLLOKOSA-N 1 0 330.394 3.364 20 10 EGCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000727225925 574654999 /nfs/dbraw/zinc/65/49/99/574654999.db2.gz RVLUPSILAYQCQY-INIZCTEOSA-N 1 0 334.508 3.062 20 10 EGCDRO CCOc1cccc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000730259200 574963505 /nfs/dbraw/zinc/96/35/05/574963505.db2.gz PWLUWVYEIXEWRJ-UHFFFAOYSA-N 1 0 341.455 3.125 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCOCC2CC2)ccc1N1CCCCC1 ZINC000731041069 575046065 /nfs/dbraw/zinc/04/60/65/575046065.db2.gz OTQDHJAFPXOGCV-UHFFFAOYSA-N 1 0 333.432 3.101 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000731868848 575216601 /nfs/dbraw/zinc/21/66/01/575216601.db2.gz ZVFVKMGDCZDNEG-HNNXBMFYSA-N 1 0 332.469 3.137 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000732230818 575247111 /nfs/dbraw/zinc/24/71/11/575247111.db2.gz BEFYTQKLCFMMFP-UHFFFAOYSA-N 1 0 336.391 3.282 20 10 EGCDRO CCc1cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC000733191975 575319149 /nfs/dbraw/zinc/31/91/49/575319149.db2.gz VBFSBJCKBWNTFH-INIZCTEOSA-N 1 0 346.862 3.475 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCCc3ccccc32)cc1F ZINC000733327782 575328172 /nfs/dbraw/zinc/32/81/72/575328172.db2.gz GYABPFMNFOSXIM-FQEVSTJZSA-N 1 0 328.431 3.205 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000742368059 576774246 /nfs/dbraw/zinc/77/42/46/576774246.db2.gz RHMSSAYHSQOZJR-UHFFFAOYSA-N 1 0 346.858 3.475 20 10 EGCDRO C[NH+](C)CCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC000743454832 576809597 /nfs/dbraw/zinc/80/95/97/576809597.db2.gz QJHJREKEULONQK-UHFFFAOYSA-N 1 0 340.832 3.300 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000219097020 1296123558 /nfs/dbraw/zinc/12/35/58/1296123558.db2.gz NMRASJBJSINRIA-CYBMUJFWSA-N 1 0 328.231 3.039 20 10 EGCDRO CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H](C)[NH3+] ZINC000399546062 1297727176 /nfs/dbraw/zinc/72/71/76/1297727176.db2.gz YQLBUANJENIJAM-QFBILLFUSA-N 1 0 331.504 3.255 20 10 EGCDRO Cc1nc(CC[NH2+]Cc2ccc(Br)cc2O)cs1 ZINC000691500839 1298133319 /nfs/dbraw/zinc/13/33/19/1298133319.db2.gz KYYWGWYGEFOGNP-UHFFFAOYSA-N 1 0 327.247 3.252 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CCSC(F)(F)F ZINC000691443029 1298133649 /nfs/dbraw/zinc/13/36/49/1298133649.db2.gz GFAKXPRFOPIQKJ-UHFFFAOYSA-N 1 0 330.169 3.497 20 10 EGCDRO C[C@@](CO)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000877050924 1299133077 /nfs/dbraw/zinc/13/30/77/1299133077.db2.gz JMNRQZFIVCAHPC-NRFANRHFSA-N 1 0 346.515 3.069 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC(F)(F)F ZINC000877590359 1299417570 /nfs/dbraw/zinc/41/75/70/1299417570.db2.gz YZQXRFQECZKDST-ZDUSSCGKSA-N 1 0 330.394 3.326 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@]1(C)CO ZINC000827699612 1292357481 /nfs/dbraw/zinc/35/74/81/1292357481.db2.gz JQVMVKXNMXLOLI-HRAATJIYSA-N 1 0 341.451 3.422 20 10 EGCDRO CN(c1ccc(CNC(=O)C[NH2+]CC2CC2)cc1)C1CCCCC1 ZINC000827820902 1292381479 /nfs/dbraw/zinc/38/14/79/1292381479.db2.gz GHSKOSFSVBKDHX-UHFFFAOYSA-N 1 0 329.488 3.071 20 10 EGCDRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000827930111 1292404040 /nfs/dbraw/zinc/40/40/40/1292404040.db2.gz BLTHWVJPWXEHIV-AEFFLSMTSA-N 1 0 338.451 3.482 20 10 EGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000827951392 1292411518 /nfs/dbraw/zinc/41/15/18/1292411518.db2.gz YMOGAGMMUMYHNM-ZDUSSCGKSA-N 1 0 326.843 3.396 20 10 EGCDRO CCn1nccc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000827955202 1292411742 /nfs/dbraw/zinc/41/17/42/1292411742.db2.gz AYPYLVQUJPFFDN-UHFFFAOYSA-N 1 0 337.423 3.477 20 10 EGCDRO CC(=O)N1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C(C)(C)C1 ZINC000828711845 1292492402 /nfs/dbraw/zinc/49/24/02/1292492402.db2.gz QNWBKRCRMLAOIN-UHFFFAOYSA-N 1 0 343.515 3.428 20 10 EGCDRO CC(C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)[NH+]1CCC(C)CC1 ZINC000079251335 1292552002 /nfs/dbraw/zinc/55/20/02/1292552002.db2.gz BRMSMPHBCQSPEV-GOSISDBHSA-N 1 0 347.503 3.290 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C3CCC3)cc2)CC1 ZINC000830213581 1292687479 /nfs/dbraw/zinc/68/74/79/1292687479.db2.gz JQNQZFLYLNRIBP-NRFANRHFSA-N 1 0 344.499 3.303 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)CCOc2ccccc2OC)c1 ZINC000091900194 1292845909 /nfs/dbraw/zinc/84/59/09/1292845909.db2.gz LRZCKTYKPYWHCI-UHFFFAOYSA-N 1 0 331.412 3.310 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092400493 1292866974 /nfs/dbraw/zinc/86/69/74/1292866974.db2.gz IKKDLSXOPNAOQB-DOTOQJQBSA-N 1 0 348.487 3.308 20 10 EGCDRO COc1cccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000093512532 1292922871 /nfs/dbraw/zinc/92/28/71/1292922871.db2.gz PABMZUGRXYDXLQ-KRWDZBQOSA-N 1 0 340.423 3.028 20 10 EGCDRO Cc1csc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1Cl ZINC000832285446 1292982152 /nfs/dbraw/zinc/98/21/52/1292982152.db2.gz QPKSIPNCSAGVDF-CYBMUJFWSA-N 1 0 337.876 3.206 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000832293645 1292983498 /nfs/dbraw/zinc/98/34/98/1292983498.db2.gz ZNCPUXRMHPDALW-GOSISDBHSA-N 1 0 345.874 3.155 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000103508229 1293008112 /nfs/dbraw/zinc/00/81/12/1293008112.db2.gz ZRRYXLNCRLXMDC-LBPRGKRZSA-N 1 0 349.475 3.070 20 10 EGCDRO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000111235443 1293101897 /nfs/dbraw/zinc/10/18/97/1293101897.db2.gz MEQIBDFFKZYOJT-HZPDHXFCSA-N 1 0 326.440 3.398 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c(C)n1-c1ccccc1C ZINC000834579259 1293118593 /nfs/dbraw/zinc/11/85/93/1293118593.db2.gz RWMKISWZSDNYRU-QGZVFWFLSA-N 1 0 325.456 3.274 20 10 EGCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1Cc1ccccc1 ZINC000834692438 1293132706 /nfs/dbraw/zinc/13/27/06/1293132706.db2.gz BIBGNEWJZFZMBY-QZTJIDSGSA-N 1 0 336.435 3.160 20 10 EGCDRO Cc1n[nH]c(C)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359238 1293148038 /nfs/dbraw/zinc/14/80/38/1293148038.db2.gz OAXOZMUOIVWEPP-INIZCTEOSA-N 1 0 348.878 3.140 20 10 EGCDRO COc1cccnc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000834906701 1293172587 /nfs/dbraw/zinc/17/25/87/1293172587.db2.gz SKSAHFPBNRWSIZ-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000834908902 1293173043 /nfs/dbraw/zinc/17/30/43/1293173043.db2.gz IMGFTEZEARNAKN-INIZCTEOSA-N 1 0 332.488 3.459 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c(O)c1 ZINC000834914033 1293175526 /nfs/dbraw/zinc/17/55/26/1293175526.db2.gz SHIPAWMHJNVYQJ-UXLLHSPISA-N 1 0 329.444 3.313 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc2c(cc1O)CCCC2 ZINC000834915243 1293176287 /nfs/dbraw/zinc/17/62/87/1293176287.db2.gz QLAWPQRVUBYNPD-QANKJYHBSA-N 1 0 328.456 3.075 20 10 EGCDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000835070609 1293200001 /nfs/dbraw/zinc/20/00/01/1293200001.db2.gz UEUNUOYHAMJOSB-UHFFFAOYSA-N 1 0 328.456 3.401 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000122673395 1293420710 /nfs/dbraw/zinc/42/07/10/1293420710.db2.gz WZJUYWFMOBBXHR-UHFFFAOYSA-N 1 0 341.455 3.048 20 10 EGCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000125399540 1293505849 /nfs/dbraw/zinc/50/58/49/1293505849.db2.gz WQTDSRSPEATKMM-MRXNPFEDSA-N 1 0 332.488 3.346 20 10 EGCDRO C[N@H+](CCc1ccccc1F)Cc1ccc(N2CCOCC2)cc1 ZINC000131795000 1293701431 /nfs/dbraw/zinc/70/14/31/1293701431.db2.gz VPIPMNWJJYGARM-UHFFFAOYSA-N 1 0 328.431 3.337 20 10 EGCDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000133886735 1293756201 /nfs/dbraw/zinc/75/62/01/1293756201.db2.gz AAFBYKHDTGCLAU-KRWDZBQOSA-N 1 0 325.456 3.227 20 10 EGCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000151060846 1293905705 /nfs/dbraw/zinc/90/57/05/1293905705.db2.gz HZOPILVHWFUSFW-OAQYLSRUSA-N 1 0 338.451 3.309 20 10 EGCDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000153961647 1294036377 /nfs/dbraw/zinc/03/63/77/1294036377.db2.gz WJNOKKYSAXFNDZ-SFHVURJKSA-N 1 0 345.487 3.387 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000154119795 1294042370 /nfs/dbraw/zinc/04/23/70/1294042370.db2.gz MYIYEDHHZFXGKB-MRXNPFEDSA-N 1 0 346.496 3.267 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cccc(C(=O)NC)c2)cc1 ZINC000157800020 1294188010 /nfs/dbraw/zinc/18/80/10/1294188010.db2.gz HJJRLHCADHMPBM-MRXNPFEDSA-N 1 0 339.483 3.396 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000159956453 1294252428 /nfs/dbraw/zinc/25/24/28/1294252428.db2.gz ORABNCKEBCKSDY-HZPDHXFCSA-N 1 0 348.487 3.226 20 10 EGCDRO COc1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(O)cc1C ZINC000160368556 1294266409 /nfs/dbraw/zinc/26/64/09/1294266409.db2.gz BFVCTDXATLTCLB-SFHVURJKSA-N 1 0 349.471 3.259 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000164392563 1294347668 /nfs/dbraw/zinc/34/76/68/1294347668.db2.gz OVSQJSPHADWBEZ-UHFFFAOYSA-N 1 0 334.357 3.027 20 10 EGCDRO CC[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000165108216 1294355614 /nfs/dbraw/zinc/35/56/14/1294355614.db2.gz WVHRNZZELQQSHR-SFHVURJKSA-N 1 0 331.504 3.442 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000177982224 1294707712 /nfs/dbraw/zinc/70/77/12/1294707712.db2.gz KZPMIEFPHRJNLO-INIZCTEOSA-N 1 0 337.467 3.383 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178205304 1294722025 /nfs/dbraw/zinc/72/20/25/1294722025.db2.gz AEMYDCQGEZPKBO-LSDHHAIUSA-N 1 0 346.471 3.233 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000179628228 1294809452 /nfs/dbraw/zinc/80/94/52/1294809452.db2.gz IAZYBQWJYGCBKU-UHFFFAOYSA-N 1 0 345.531 3.077 20 10 EGCDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@@H](O)c1ccc(C)cc1 ZINC000180419905 1294887110 /nfs/dbraw/zinc/88/71/10/1294887110.db2.gz XBUKVHJXONCAKZ-GOSISDBHSA-N 1 0 345.439 3.273 20 10 EGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1F ZINC000182348624 1295039155 /nfs/dbraw/zinc/03/91/55/1295039155.db2.gz ZBWMFKDFSCZNQN-NSHDSACASA-N 1 0 333.359 3.177 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000182393938 1295042920 /nfs/dbraw/zinc/04/29/20/1295042920.db2.gz YNKDHCHYWHDSTO-JTQLQIEISA-N 1 0 343.339 3.301 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000185581561 1295271966 /nfs/dbraw/zinc/27/19/66/1295271966.db2.gz JJDDOBMSHKPLDE-OAHLLOKOSA-N 1 0 335.444 3.345 20 10 EGCDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(O)c1O ZINC000186799685 1295350971 /nfs/dbraw/zinc/35/09/71/1295350971.db2.gz GNDXYRDRHMNXPI-UHFFFAOYSA-N 1 0 340.423 3.014 20 10 EGCDRO C[C@@H](CC[NH2+]Cc1c(O)cccc1Cl)NC(=O)OC(C)(C)C ZINC000226647920 1296140393 /nfs/dbraw/zinc/14/03/93/1296140393.db2.gz CHEHDEGRDNNGRX-NSHDSACASA-N 1 0 328.840 3.439 20 10 EGCDRO CN(CCC[NH2+]Cc1c(O)cccc1Cl)C(=O)OC(C)(C)C ZINC000226647571 1296140537 /nfs/dbraw/zinc/14/05/37/1296140537.db2.gz DRTJEJVLCZCGOH-UHFFFAOYSA-N 1 0 328.840 3.392 20 10 EGCDRO COC[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@H](C)O1 ZINC000249989423 1296453897 /nfs/dbraw/zinc/45/38/97/1296453897.db2.gz ZQROHUPPKFDAJM-KBPBESRZSA-N 1 0 345.439 3.253 20 10 EGCDRO CC(C)(CN1CCCC1)[NH2+]Cc1cc(Br)ccc1O ZINC000308642928 1297071442 /nfs/dbraw/zinc/07/14/42/1297071442.db2.gz ZSIFLMLMCXPRQO-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)c1O ZINC000313340986 1297121675 /nfs/dbraw/zinc/12/16/75/1297121675.db2.gz MULKPUVGRXDPFY-MRXNPFEDSA-N 1 0 332.831 3.201 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Br)ccc1O ZINC000315761540 1297138865 /nfs/dbraw/zinc/13/88/65/1297138865.db2.gz CMAYCWNHFTYFHL-ZFWWWQNUSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2nccnc2c1)c1ccc(N2CCOCC2)cc1 ZINC000873024106 1297230124 /nfs/dbraw/zinc/23/01/24/1297230124.db2.gz HGGCWGQCBQIQGU-MRXNPFEDSA-N 1 0 348.450 3.317 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1Cn1cccn1 ZINC000873046475 1297245442 /nfs/dbraw/zinc/24/54/42/1297245442.db2.gz PMFGJRKFTINNAF-IBGZPJMESA-N 1 0 349.434 3.423 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccncc2)cc1Cn1cccn1 ZINC000873072699 1297259603 /nfs/dbraw/zinc/25/96/03/1297259603.db2.gz YMIITWXZYOWUOP-MRXNPFEDSA-N 1 0 336.439 3.056 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1O ZINC000873293597 1297416081 /nfs/dbraw/zinc/41/60/81/1297416081.db2.gz NMABMAUTDCMQLF-UKRRQHHQSA-N 1 0 338.879 3.163 20 10 EGCDRO COc1ccccc1CC[NH2+]Cc1c(O)cccc1Br ZINC000706830044 1298222457 /nfs/dbraw/zinc/22/24/57/1298222457.db2.gz LUXMBMJTPIHUCS-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]Cc1cccc2c1OCC2 ZINC000706883310 1298226638 /nfs/dbraw/zinc/22/66/38/1298226638.db2.gz MGLVDEDJZFJYTD-UHFFFAOYSA-N 1 0 334.213 3.379 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1C ZINC000725842708 1298371427 /nfs/dbraw/zinc/37/14/27/1298371427.db2.gz MMNWBJWWJQGQIW-HOTGVXAUSA-N 1 0 338.451 3.460 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000725841705 1298371605 /nfs/dbraw/zinc/37/16/05/1298371605.db2.gz WTXXTUCJNNOQNS-KRWDZBQOSA-N 1 0 330.428 3.311 20 10 EGCDRO CCC(CC)[N@H+](CCOC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876601402 1298859165 /nfs/dbraw/zinc/85/91/65/1298859165.db2.gz PTMKETVIIRVDHH-UHFFFAOYSA-N 1 0 334.504 3.285 20 10 EGCDRO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000876662854 1298904848 /nfs/dbraw/zinc/90/48/48/1298904848.db2.gz PANQJEYZSXCORY-UHFFFAOYSA-N 1 0 338.451 3.437 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1 ZINC000876736194 1298947716 /nfs/dbraw/zinc/94/77/16/1298947716.db2.gz TXVKHLXFGJRPRP-GDBMZVCRSA-N 1 0 334.460 3.436 20 10 EGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876761127 1298964814 /nfs/dbraw/zinc/96/48/14/1298964814.db2.gz YSYMPOYKVKHYRI-WOJBJXKFSA-N 1 0 346.515 3.283 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c(O)c1 ZINC000876811903 1299005024 /nfs/dbraw/zinc/00/50/24/1299005024.db2.gz IEPKDWJEGALFDE-ICSRJNTNSA-N 1 0 327.424 3.025 20 10 EGCDRO CCOc1c(OC)cc(C[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876989442 1299101486 /nfs/dbraw/zinc/10/14/86/1299101486.db2.gz ZDAXGMSQOXKCEO-UHFFFAOYSA-N 1 0 331.412 3.406 20 10 EGCDRO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877024296 1299117472 /nfs/dbraw/zinc/11/74/72/1299117472.db2.gz YMJXOBADXIQLIY-FQEVSTJZSA-N 1 0 338.451 3.130 20 10 EGCDRO CC[NH+](CC)CCOc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877077650 1299147423 /nfs/dbraw/zinc/14/74/23/1299147423.db2.gz QBJXVQOXHNIZIC-UHFFFAOYSA-N 1 0 341.455 3.266 20 10 EGCDRO OCCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877076062 1299147581 /nfs/dbraw/zinc/14/75/81/1299147581.db2.gz JGNGBCIPWSCPGR-UHFFFAOYSA-N 1 0 346.515 3.070 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)c2C)cc1 ZINC000877292193 1299238815 /nfs/dbraw/zinc/23/88/15/1299238815.db2.gz BOXAMPMOPBMGRH-WKILWMFISA-N 1 0 341.455 3.102 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)C(=O)N(C)C)cc1 ZINC000749924751 1299301099 /nfs/dbraw/zinc/30/10/99/1299301099.db2.gz RFRWLOCOOUKVCO-QGZVFWFLSA-N 1 0 339.483 3.279 20 10 EGCDRO Cc1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(O)c1 ZINC000877505534 1299355148 /nfs/dbraw/zinc/35/51/48/1299355148.db2.gz UTAKUDFKBHTVAA-UHFFFAOYSA-N 1 0 334.423 3.446 20 10 EGCDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877585991 1299415264 /nfs/dbraw/zinc/41/52/64/1299415264.db2.gz ZDHXKZYPPYYSLV-IBGZPJMESA-N 1 0 332.488 3.039 20 10 EGCDRO COc1cc(CCC[NH2+]Cc2c(C)cccc2O)cc(OC)c1O ZINC000877646084 1299452739 /nfs/dbraw/zinc/45/27/39/1299452739.db2.gz BFNUWNSSYSVMQZ-UHFFFAOYSA-N 1 0 331.412 3.146 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000750826854 1299459669 /nfs/dbraw/zinc/45/96/69/1299459669.db2.gz RNNILXQDTAIJRG-ZDUSSCGKSA-N 1 0 331.387 3.117 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2c(Br)cnn2C)cc1Cl ZINC000877673938 1299469840 /nfs/dbraw/zinc/46/98/40/1299469840.db2.gz IBQNAFFAJCWOBX-UHFFFAOYSA-N 1 0 344.640 3.140 20 10 EGCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752088509 1299692507 /nfs/dbraw/zinc/69/25/07/1299692507.db2.gz LFDTVBLIRWGVMY-HOTGVXAUSA-N 1 0 342.439 3.387 20 10 EGCDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000878104313 1299751280 /nfs/dbraw/zinc/75/12/80/1299751280.db2.gz UCDMYOPCSQQWLU-UHFFFAOYSA-N 1 0 344.415 3.250 20 10 EGCDRO CCC[N@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccccc1O ZINC000878152843 1299782351 /nfs/dbraw/zinc/78/23/51/1299782351.db2.gz ZHGLSPMWAKHDQC-UHFFFAOYSA-N 1 0 327.490 3.208 20 10 EGCDRO CCNC(=O)C1(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)CCC1 ZINC000752933900 1299826202 /nfs/dbraw/zinc/82/62/02/1299826202.db2.gz RVMILCCIPQRHDM-UHFFFAOYSA-N 1 0 335.467 3.068 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1(C)C ZINC000753374751 1299924282 /nfs/dbraw/zinc/92/42/82/1299924282.db2.gz UIFMKPZEWGRJLP-QZTJIDSGSA-N 1 0 347.459 3.488 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCOc3ccccc3)CC2)cc1F ZINC000753857609 1300030457 /nfs/dbraw/zinc/03/04/57/1300030457.db2.gz NLDGUMJKOVOELN-UHFFFAOYSA-N 1 0 344.430 3.425 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1F ZINC000753858481 1300031488 /nfs/dbraw/zinc/03/14/88/1300031488.db2.gz SXNFNAHJGKTYLG-UHFFFAOYSA-N 1 0 342.414 3.091 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000756381089 1300480861 /nfs/dbraw/zinc/48/08/61/1300480861.db2.gz WQKLTZOYTFZXBA-CQSZACIVSA-N 1 0 342.439 3.091 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Br)cc1O ZINC000756382120 1300480928 /nfs/dbraw/zinc/48/09/28/1300480928.db2.gz RCPXHKBSKBQNJX-NOZJJQNGSA-N 1 0 326.190 3.132 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)c(O)c1 ZINC000756395756 1300483106 /nfs/dbraw/zinc/48/31/06/1300483106.db2.gz HBTBDFIYXYUOME-SFHVURJKSA-N 1 0 339.483 3.173 20 10 EGCDRO CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000756396975 1300483422 /nfs/dbraw/zinc/48/34/22/1300483422.db2.gz QXNCEIAXSFUYIM-IAQYHMDHSA-N 1 0 328.387 3.229 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Br)ccc1O ZINC000756431707 1300490239 /nfs/dbraw/zinc/49/02/39/1300490239.db2.gz DJDGALWXNNKFOX-QMTHXVAHSA-N 1 0 327.266 3.146 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)c2c1c(F)ccc2O ZINC000756453727 1300494664 /nfs/dbraw/zinc/49/46/64/1300494664.db2.gz HXVGWYLWCPITDU-FFSVYQOJSA-N 1 0 349.377 3.248 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)c2c1c(F)ccc2O ZINC000756453730 1300494705 /nfs/dbraw/zinc/49/47/05/1300494705.db2.gz HXVGWYLWCPITDU-KFNAQCHYSA-N 1 0 349.377 3.248 20 10 EGCDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)ccc1OCCO ZINC000756461143 1300497236 /nfs/dbraw/zinc/49/72/36/1300497236.db2.gz WBAQGMUBFISIST-CHWSQXEVSA-N 1 0 349.402 3.323 20 10 EGCDRO C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756482873 1300503605 /nfs/dbraw/zinc/50/36/05/1300503605.db2.gz JQEKBSHVIDJVAQ-MCIONIFRSA-N 1 0 342.430 3.210 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)c2c1c(F)ccc2O ZINC000756766593 1300562754 /nfs/dbraw/zinc/56/27/54/1300562754.db2.gz XEAJUJRPGXHRNY-UMVBOHGHSA-N 1 0 335.419 3.397 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Br)cc1O ZINC000756776842 1300564962 /nfs/dbraw/zinc/56/49/62/1300564962.db2.gz SIKIFYYGAWLSGV-IONNQARKSA-N 1 0 342.155 3.119 20 10 EGCDRO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648788 1300649687 /nfs/dbraw/zinc/64/96/87/1300649687.db2.gz DULFPNIYSOTDOZ-RBSFLKMASA-N 1 0 342.439 3.317 20 10 EGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1F ZINC000757390090 1300668780 /nfs/dbraw/zinc/66/87/80/1300668780.db2.gz VDUZUOWWZSFZIR-UHFFFAOYSA-N 1 0 330.403 3.310 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000758528840 1300904400 /nfs/dbraw/zinc/90/44/00/1300904400.db2.gz OBWCDWVQEFINCF-PXNSSMCTSA-N 1 0 345.414 3.186 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000758578195 1300914868 /nfs/dbraw/zinc/91/48/68/1300914868.db2.gz BSMFZNIXKQMQBP-PMACEKPBSA-N 1 0 329.415 3.395 20 10 EGCDRO C[N@H+](CCc1cnccn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000761214894 1301421744 /nfs/dbraw/zinc/42/17/44/1301421744.db2.gz POYVMGYIEALAML-UHFFFAOYSA-N 1 0 349.434 3.436 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCN1Cc1ccccc1 ZINC000761218532 1301423084 /nfs/dbraw/zinc/42/30/84/1301423084.db2.gz GGVNVWUXKFLGPQ-IBGZPJMESA-N 1 0 340.467 3.497 20 10 EGCDRO CN(Cc1ccc2c(c1)ncn2C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223302 1301424088 /nfs/dbraw/zinc/42/40/88/1301424088.db2.gz OYNQGRUNJJSKKS-UHFFFAOYSA-N 1 0 338.455 3.150 20 10 EGCDRO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000762123226 1301618103 /nfs/dbraw/zinc/61/81/03/1301618103.db2.gz XALNHKQQQODYFC-INIZCTEOSA-N 1 0 337.778 3.243 20 10 EGCDRO CC[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[NH+](CC)CC ZINC000764266488 1302035508 /nfs/dbraw/zinc/03/55/08/1302035508.db2.gz FKUQVOPRLZCUII-MSOLQXFVSA-N 1 0 348.487 3.020 20 10 EGCDRO CC[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[NH+](CC)CC ZINC000764266490 1302035866 /nfs/dbraw/zinc/03/58/66/1302035866.db2.gz FKUQVOPRLZCUII-QZTJIDSGSA-N 1 0 348.487 3.020 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1ccc(N(C)C)cc1 ZINC000764626013 1302103747 /nfs/dbraw/zinc/10/37/47/1302103747.db2.gz NRVMFHMEQVSSHL-VQTJNVASSA-N 1 0 333.520 3.150 20 10 EGCDRO CC[C@H](C)[C@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000764675713 1302116060 /nfs/dbraw/zinc/11/60/60/1302116060.db2.gz HIMALDCVLFGJPZ-ROUUACIJSA-N 1 0 333.520 3.232 20 10 EGCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C2CC2)n1 ZINC000882880484 1302145880 /nfs/dbraw/zinc/14/58/80/1302145880.db2.gz VBLSRRBNQCMITM-UHFFFAOYSA-N 1 0 337.471 3.026 20 10 EGCDRO C[NH+]1CCN(Cc2cccc(NCc3cc(F)cc(F)c3O)c2)CC1 ZINC000882919921 1302168659 /nfs/dbraw/zinc/16/86/59/1302168659.db2.gz WDVXHFHOGNKMIH-UHFFFAOYSA-N 1 0 347.409 3.030 20 10 EGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)C1 ZINC000765246027 1302228048 /nfs/dbraw/zinc/22/80/48/1302228048.db2.gz RIDFQACDRNAQJV-GHTZIAJQSA-N 1 0 349.478 3.165 20 10 EGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000765807911 1302332828 /nfs/dbraw/zinc/33/28/28/1302332828.db2.gz HALDLIBSVBNRHK-MOPGFXCFSA-N 1 0 332.488 3.205 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](CCO)c3cccs3)CC2)cc1 ZINC000766138365 1302400263 /nfs/dbraw/zinc/40/02/63/1302400263.db2.gz XNTCZXLVUBCQFP-GOSISDBHSA-N 1 0 346.496 3.439 20 10 EGCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000766214890 1302411044 /nfs/dbraw/zinc/41/10/44/1302411044.db2.gz QQEGVUXOUJGAOW-AYBZRNKSSA-N 1 0 343.515 3.303 20 10 EGCDRO C[NH+](C)[C@H]1Cc2ccccc2N(Cc2c(O)ccc3ccncc32)C1 ZINC000766338078 1302433263 /nfs/dbraw/zinc/43/32/63/1302433263.db2.gz IIIZETJSVQRECH-KRWDZBQOSA-N 1 0 333.435 3.433 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000766604527 1302485704 /nfs/dbraw/zinc/48/57/04/1302485704.db2.gz KFJPCJQHKUHJJQ-DBVUQKKJSA-N 1 0 331.504 3.047 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766606524 1302485748 /nfs/dbraw/zinc/48/57/48/1302485748.db2.gz CBEFQDGYTVBWRL-CYBMUJFWSA-N 1 0 333.382 3.047 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1F ZINC000768185048 1302849889 /nfs/dbraw/zinc/84/98/89/1302849889.db2.gz XARCUKPSPUXDQF-UHFFFAOYSA-N 1 0 330.403 3.295 20 10 EGCDRO CCOc1ccc(CN2CC[NH+](CCc3ccccc3)CC2)c(O)c1 ZINC000768216509 1302857701 /nfs/dbraw/zinc/85/77/01/1302857701.db2.gz ZFEKPJSUYVVJEU-UHFFFAOYSA-N 1 0 340.467 3.151 20 10 EGCDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768447892 1302906534 /nfs/dbraw/zinc/90/65/34/1302906534.db2.gz RGIOVUAWEDQXIN-FRIZHTMISA-N 1 0 325.408 3.196 20 10 EGCDRO CC1(c2ccccc2)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768462135 1302911791 /nfs/dbraw/zinc/91/17/91/1302911791.db2.gz JWLMTOHINMXKBH-IBGZPJMESA-N 1 0 339.435 3.372 20 10 EGCDRO Cc1ncc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000768912676 1303010916 /nfs/dbraw/zinc/01/09/16/1303010916.db2.gz BHVKAXWRYLITBX-UHFFFAOYSA-N 1 0 335.448 3.059 20 10 EGCDRO O=C1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]2CCCC[C@H]2N1 ZINC000769192842 1303067545 /nfs/dbraw/zinc/06/75/45/1303067545.db2.gz QOEBZHBMKKDYAM-MOPGFXCFSA-N 1 0 336.435 3.302 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769309933 1303089823 /nfs/dbraw/zinc/08/98/23/1303089823.db2.gz ICWZSOKLUHTCPY-AWEZNQCLSA-N 1 0 336.233 3.188 20 10 EGCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769499617 1303127544 /nfs/dbraw/zinc/12/75/44/1303127544.db2.gz ZMLZZUMOMXYCQS-SJORKVTESA-N 1 0 335.467 3.113 20 10 EGCDRO CCOC(=O)CCC1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000769527748 1303136257 /nfs/dbraw/zinc/13/62/57/1303136257.db2.gz RBACKYKQGPLGTL-UHFFFAOYSA-N 1 0 335.444 3.346 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000769788597 1303175246 /nfs/dbraw/zinc/17/52/46/1303175246.db2.gz XQWSTOFPWQJSBF-JTQLQIEISA-N 1 0 342.355 3.036 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000770294452 1303246245 /nfs/dbraw/zinc/24/62/45/1303246245.db2.gz ZGQBWUACSGAKOC-QFBILLFUSA-N 1 0 347.459 3.178 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000770319732 1303248291 /nfs/dbraw/zinc/24/82/91/1303248291.db2.gz BAQGCRLRWSGJEZ-QAPCUYQASA-N 1 0 331.412 3.472 20 10 EGCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773131108 1303630032 /nfs/dbraw/zinc/63/00/32/1303630032.db2.gz JZDUWXPJIXYZKF-LESCRADOSA-N 1 0 347.478 3.381 20 10 EGCDRO C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000773615334 1303714774 /nfs/dbraw/zinc/71/47/74/1303714774.db2.gz CYPIADBPYSBIGB-MRXNPFEDSA-N 1 0 346.519 3.235 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000773757086 1303735222 /nfs/dbraw/zinc/73/52/22/1303735222.db2.gz YJLZKFMUQQUWKU-HXUWFJFHSA-N 1 0 332.488 3.303 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1cccs1 ZINC000774486743 1303816495 /nfs/dbraw/zinc/81/64/95/1303816495.db2.gz YJBMOJODTKJJKS-HUUCEWRRSA-N 1 0 345.512 3.212 20 10 EGCDRO C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000775407335 1303959379 /nfs/dbraw/zinc/95/93/79/1303959379.db2.gz SLBZRUDYUMWFQL-OAHLLOKOSA-N 1 0 325.456 3.305 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(CCOC)CC1)c1cc(Cl)ccc1O ZINC000775488993 1303972086 /nfs/dbraw/zinc/97/20/86/1303972086.db2.gz LOUCYQKENZPHRZ-MRXNPFEDSA-N 1 0 326.868 3.197 20 10 EGCDRO CC[C@@H]([NH2+]CCN1CCC(OC)CC1)c1cc(Cl)ccc1O ZINC000775511466 1303976171 /nfs/dbraw/zinc/97/61/71/1303976171.db2.gz GAPORUKIQOVLDM-MRXNPFEDSA-N 1 0 326.868 3.197 20 10 EGCDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000775617821 1303995886 /nfs/dbraw/zinc/99/58/86/1303995886.db2.gz SKNSMAZIRFJCEW-HOTGVXAUSA-N 1 0 331.504 3.125 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000775715573 1304019094 /nfs/dbraw/zinc/01/90/94/1304019094.db2.gz GQYAOTPNVHNRKC-QGZVFWFLSA-N 1 0 340.467 3.497 20 10 EGCDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775830634 1304045932 /nfs/dbraw/zinc/04/59/32/1304045932.db2.gz LJSRFPDCHPQJJL-PXNSSMCTSA-N 1 0 342.483 3.460 20 10 EGCDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775835114 1304046801 /nfs/dbraw/zinc/04/68/01/1304046801.db2.gz FKGJXGZOGPRCBI-CQSZACIVSA-N 1 0 329.400 3.390 20 10 EGCDRO Oc1ccc(F)cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000776000588 1304077217 /nfs/dbraw/zinc/07/72/17/1304077217.db2.gz YGTBLCZGMTTYFH-UHFFFAOYSA-N 1 0 333.378 3.240 20 10 EGCDRO C[C@H]([NH2+]CCCCCCO)c1ccc(N2CCOCC2)cc1Cl ZINC000776166851 1304105232 /nfs/dbraw/zinc/10/52/32/1304105232.db2.gz FYMOPRYXTYNHEK-HNNXBMFYSA-N 1 0 340.895 3.380 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000776808985 1304203193 /nfs/dbraw/zinc/20/31/93/1304203193.db2.gz QKZXELHDAPYKEK-CVEARBPZSA-N 1 0 334.460 3.356 20 10 EGCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000776866383 1304213548 /nfs/dbraw/zinc/21/35/48/1304213548.db2.gz GBOLEYKQKJCUPN-MDASCCDHSA-N 1 0 345.439 3.017 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)cc1C ZINC000776938925 1304221711 /nfs/dbraw/zinc/22/17/11/1304221711.db2.gz PPHWHXKQSSAFNY-MRXNPFEDSA-N 1 0 346.858 3.096 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1O ZINC000779004224 1304517183 /nfs/dbraw/zinc/51/71/83/1304517183.db2.gz PBDMBMLVVIKLKY-NHYWBVRUSA-N 1 0 341.293 3.454 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000781396196 1304822943 /nfs/dbraw/zinc/82/29/43/1304822943.db2.gz JVLWEVKMFXHZPE-KRWDZBQOSA-N 1 0 337.467 3.474 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000781505336 1304837602 /nfs/dbraw/zinc/83/76/02/1304837602.db2.gz WIHVHLPWAQYPNF-UHFFFAOYSA-N 1 0 330.501 3.276 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000781897055 1304887897 /nfs/dbraw/zinc/88/78/97/1304887897.db2.gz BYSDKRWFDJIGLA-CQSZACIVSA-N 1 0 339.277 3.133 20 10 EGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000781901038 1304888560 /nfs/dbraw/zinc/88/85/60/1304888560.db2.gz PLSLWKAPZWLVCA-UHFFFAOYSA-N 1 0 341.455 3.424 20 10 EGCDRO Cc1cc(O)c(CN(C)Cc2ncnn2CC(F)F)cc1C(C)C ZINC000782979533 1305033996 /nfs/dbraw/zinc/03/39/96/1305033996.db2.gz JOJHCYFIJICBTG-UHFFFAOYSA-N 1 0 338.402 3.313 20 10 EGCDRO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000783222801 1305064810 /nfs/dbraw/zinc/06/48/10/1305064810.db2.gz GFRLGEJHTBPEDQ-ZBFHGGJFSA-N 1 0 326.444 3.033 20 10 EGCDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000783221023 1305064918 /nfs/dbraw/zinc/06/49/18/1305064918.db2.gz DWIVWDRKJAHBAG-WBMJQRKESA-N 1 0 328.378 3.430 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Br)ccc1O ZINC000783648057 1305123139 /nfs/dbraw/zinc/12/31/39/1305123139.db2.gz YADOZJAJYWIXPX-TVQRCGJNSA-N 1 0 326.190 3.132 20 10 EGCDRO CCc1cc(C[N@H+]2C[C@H](COC)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000783968028 1305170220 /nfs/dbraw/zinc/17/02/20/1305170220.db2.gz PYMCDXCOLXBQAK-WMLDXEAASA-N 1 0 335.488 3.488 20 10 EGCDRO Cc1cccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)c1 ZINC000784026880 1305179740 /nfs/dbraw/zinc/17/97/40/1305179740.db2.gz PSJZJHQVBFXUQD-KXBFYZLASA-N 1 0 325.408 3.116 20 10 EGCDRO CCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000892101945 1305250861 /nfs/dbraw/zinc/25/08/61/1305250861.db2.gz PAQRNFCJVOUJHN-GDIGMMSISA-N 1 0 349.471 3.435 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H]2CCc3cc(OC)ccc3C2)c(O)c1 ZINC000784624855 1305265390 /nfs/dbraw/zinc/26/53/90/1305265390.db2.gz UNKRQQFVBBVKCQ-KRWDZBQOSA-N 1 0 327.424 3.447 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c(O)c1 ZINC000785546868 1305376740 /nfs/dbraw/zinc/37/67/40/1305376740.db2.gz CJLGHCJSFWQOCE-GOSISDBHSA-N 1 0 346.471 3.204 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2)c(O)c1OC ZINC000892793525 1305554515 /nfs/dbraw/zinc/55/45/15/1305554515.db2.gz ZHYBZVXLUPQQPM-UHFFFAOYSA-N 1 0 325.767 3.492 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2F)c(O)c1OC ZINC000893088606 1305700818 /nfs/dbraw/zinc/70/08/18/1305700818.db2.gz RITNHVMYQVDPMZ-GFCCVEGCSA-N 1 0 335.375 3.106 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]1C ZINC000787421149 1305742942 /nfs/dbraw/zinc/74/29/42/1305742942.db2.gz NVFNFLUAJJMVKD-KBXCAEBGSA-N 1 0 325.408 3.443 20 10 EGCDRO CCCSC[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000893330202 1305832846 /nfs/dbraw/zinc/83/28/46/1305832846.db2.gz WZBUZNYLKQSZBW-DOTOQJQBSA-N 1 0 349.544 3.010 20 10 EGCDRO COc1ccc(CNc2ccc3c(c2)[nH+]c(C)n3C)c(O)c1OC ZINC000893378851 1305858652 /nfs/dbraw/zinc/85/86/52/1305858652.db2.gz LWEQGFAHQXPXSF-UHFFFAOYSA-N 1 0 327.384 3.217 20 10 EGCDRO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788622478 1305985676 /nfs/dbraw/zinc/98/56/76/1305985676.db2.gz AWIAATAORRVUED-STQMWFEESA-N 1 0 348.409 3.418 20 10 EGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)C1 ZINC000788983295 1306057216 /nfs/dbraw/zinc/05/72/16/1306057216.db2.gz CKEZHDPJWYHUBL-HKUYNNGSSA-N 1 0 341.499 3.201 20 10 EGCDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000789766123 1306211688 /nfs/dbraw/zinc/21/16/88/1306211688.db2.gz UVDMTBGHSCOFBQ-KDURUIRLSA-N 1 0 345.531 3.218 20 10 EGCDRO COc1cc2c(cc1C[NH2+]Cc1cc(C)cc(OC)c1O)O[C@H](C)C2 ZINC000894168816 1306259244 /nfs/dbraw/zinc/25/92/44/1306259244.db2.gz UDNAYMRNFNTEJF-CYBMUJFWSA-N 1 0 343.423 3.331 20 10 EGCDRO CCC(=O)Nc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894187517 1306268641 /nfs/dbraw/zinc/26/86/41/1306268641.db2.gz KPEFYWQWLIQNLW-UHFFFAOYSA-N 1 0 328.412 3.348 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(Cn3cccn3)c2)c1O ZINC000894199879 1306270913 /nfs/dbraw/zinc/27/09/13/1306270913.db2.gz RYSNVIFAQDUNDS-UHFFFAOYSA-N 1 0 337.423 3.244 20 10 EGCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894303786 1306332100 /nfs/dbraw/zinc/33/21/00/1306332100.db2.gz HFXHJZFIBZLZHV-MRXNPFEDSA-N 1 0 329.396 3.331 20 10 EGCDRO C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000790502673 1306338331 /nfs/dbraw/zinc/33/83/31/1306338331.db2.gz OOXVAIJTPAUFPK-INIZCTEOSA-N 1 0 346.519 3.235 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCOCc2ccccc2)c(O)c1OC ZINC000894515529 1308932781 /nfs/dbraw/zinc/93/27/81/1308932781.db2.gz PEJCUTNOFKOZTJ-HNNXBMFYSA-N 1 0 345.439 3.494 20 10 EGCDRO CCN(CC[NH2+]Cc1cc(C)cc(OC)c1O)CCC(F)(F)F ZINC000894559380 1308952696 /nfs/dbraw/zinc/95/26/96/1308952696.db2.gz RYFHNXCMMXFIFU-UHFFFAOYSA-N 1 0 334.382 3.073 20 10 EGCDRO COc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c(O)c1OC ZINC000894593575 1308971006 /nfs/dbraw/zinc/97/10/06/1308971006.db2.gz UVWWSLDBOKXTKH-ZDUSSCGKSA-N 1 0 329.396 3.193 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@](C)(OC)c2ccccc2)c(O)c1OC ZINC000894714239 1309032788 /nfs/dbraw/zinc/03/27/88/1309032788.db2.gz HAUIOKBQLBPAPM-LJQANCHMSA-N 1 0 331.412 3.061 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000894782356 1309069996 /nfs/dbraw/zinc/06/99/96/1309069996.db2.gz XXWVHLYGOMCACE-QGZVFWFLSA-N 1 0 332.419 3.241 20 10 EGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]CCC3CCCCC3)cc2)C1 ZINC000792174187 1309136108 /nfs/dbraw/zinc/13/61/08/1309136108.db2.gz TVXZNGCGQZZEMW-IBGZPJMESA-N 1 0 343.515 3.448 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000792898718 1309254421 /nfs/dbraw/zinc/25/44/21/1309254421.db2.gz IUNITVMGNQVBIX-UHFFFAOYSA-N 1 0 339.361 3.465 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(O)c1OC ZINC000895405742 1309320376 /nfs/dbraw/zinc/32/03/76/1309320376.db2.gz PCKSYLGPUZQOGG-ZBFHGGJFSA-N 1 0 335.444 3.191 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(OC)cc3c2O[C@@H](C)C3)c(O)c1 ZINC000793387316 1309361455 /nfs/dbraw/zinc/36/14/55/1309361455.db2.gz CWVNYEMOPSGKNI-LBPRGKRZSA-N 1 0 329.396 3.023 20 10 EGCDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000793608070 1309415252 /nfs/dbraw/zinc/41/52/52/1309415252.db2.gz GYTIIWFRUPRELK-GUYCJALGSA-N 1 0 331.387 3.041 20 10 EGCDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000795748401 1309825676 /nfs/dbraw/zinc/82/56/76/1309825676.db2.gz XIKKPXRDAMKNJG-XVSDVWIESA-N 1 0 325.408 3.401 20 10 EGCDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000795748387 1309825871 /nfs/dbraw/zinc/82/58/71/1309825871.db2.gz XIKKPXRDAMKNJG-FMEYXAORSA-N 1 0 325.408 3.401 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)c2c1c(F)ccc2O ZINC000797102511 1310141374 /nfs/dbraw/zinc/14/13/74/1310141374.db2.gz PGCZTQITTVGSFK-WCQYABFASA-N 1 0 341.448 3.027 20 10 EGCDRO CCCN1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000797114041 1310143134 /nfs/dbraw/zinc/14/31/34/1310143134.db2.gz GXWKJKHVQOUSFU-IBGZPJMESA-N 1 0 331.504 3.128 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c1 ZINC000897423421 1310332137 /nfs/dbraw/zinc/33/21/37/1310332137.db2.gz KGXZEEGTSCQYDV-LBPRGKRZSA-N 1 0 336.432 3.109 20 10 EGCDRO CN(C)c1ccc([C@@H](CNc2nnc(C(F)F)s2)[NH+](C)C)cc1 ZINC000897522001 1310360412 /nfs/dbraw/zinc/36/04/12/1310360412.db2.gz KGDYSYUYGCLAQV-GFCCVEGCSA-N 1 0 341.431 3.257 20 10 EGCDRO C[N@H+](CCCOCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000798964611 1310465686 /nfs/dbraw/zinc/46/56/86/1310465686.db2.gz OCRIKYOHYCVVDA-UHFFFAOYSA-N 1 0 329.396 3.160 20 10 EGCDRO CCOCc1cc(C[NH2+]CC2(C(=O)OC)CCCC2)ccc1OC ZINC000799340692 1310528483 /nfs/dbraw/zinc/52/84/83/1310528483.db2.gz FDUWEYCHMUAUQN-UHFFFAOYSA-N 1 0 335.444 3.055 20 10 EGCDRO Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000800288542 1310722097 /nfs/dbraw/zinc/72/20/97/1310722097.db2.gz RXUTUFNVFGWAJX-IBGZPJMESA-N 1 0 342.870 3.434 20 10 EGCDRO Cc1nc(C)c(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898451668 1310742334 /nfs/dbraw/zinc/74/23/34/1310742334.db2.gz NILAHMQUTRNRTG-QGZVFWFLSA-N 1 0 332.517 3.218 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1O ZINC000801570987 1310968033 /nfs/dbraw/zinc/96/80/33/1310968033.db2.gz TWDWAKBGQZWBIC-MRXNPFEDSA-N 1 0 329.371 3.217 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000824870455 1320293301 /nfs/dbraw/zinc/29/33/01/1320293301.db2.gz RQTPRPFBBSGGPH-ZDUSSCGKSA-N 1 0 341.293 3.318 20 10 EGCDRO CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824559191 1320265110 /nfs/dbraw/zinc/26/51/10/1320265110.db2.gz JYDTYCQYTHXHIV-FQEVSTJZSA-N 1 0 345.531 3.123 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1OC ZINC000825086322 1320308509 /nfs/dbraw/zinc/30/85/09/1320308509.db2.gz RTFZYGXEFKGBNF-CXAGYDPISA-N 1 0 349.452 3.481 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CCCOCC(F)(F)F ZINC000825102216 1320309889 /nfs/dbraw/zinc/30/98/89/1320309889.db2.gz LFAAFECPGZTPAR-UHFFFAOYSA-N 1 0 342.155 3.213 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000825337303 1320329861 /nfs/dbraw/zinc/32/98/61/1320329861.db2.gz FZYWKQPEZZADNO-QGZVFWFLSA-N 1 0 349.272 3.338 20 10 EGCDRO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000826048169 1320381040 /nfs/dbraw/zinc/38/10/40/1320381040.db2.gz FMRLOXXXFAUILE-RRFJBIMHSA-N 1 0 340.261 3.280 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000826539332 1320387177 /nfs/dbraw/zinc/38/71/77/1320387177.db2.gz RQGPOIAUGCUYQE-HUUCEWRRSA-N 1 0 339.277 3.261 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000802005947 1316974649 /nfs/dbraw/zinc/97/46/49/1316974649.db2.gz CUYQLXARKDISHM-KRWDZBQOSA-N 1 0 347.503 3.436 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000858090059 1328679017 /nfs/dbraw/zinc/67/90/17/1328679017.db2.gz JVEDAAUKKCOAFV-GFCCVEGCSA-N 1 0 348.240 3.496 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](c2ccsc2)N(C)C)cc1F ZINC000858091030 1328679270 /nfs/dbraw/zinc/67/92/70/1328679270.db2.gz NGAUQNRUSITFIR-QGZVFWFLSA-N 1 0 339.455 3.485 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCCCNc2ccccn2)cc1F ZINC000858122839 1328688396 /nfs/dbraw/zinc/68/83/96/1328688396.db2.gz SOJSAFSXQPPUFX-UHFFFAOYSA-N 1 0 334.414 3.408 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000806179814 1317469698 /nfs/dbraw/zinc/46/96/98/1317469698.db2.gz WGFJNEORJOADLV-TZMCWYRMSA-N 1 0 335.831 3.481 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000806662095 1317517633 /nfs/dbraw/zinc/51/76/33/1317517633.db2.gz JDFRKUYOOBAFKM-SJORKVTESA-N 1 0 337.533 3.003 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)cc1C ZINC001020052035 1317518662 /nfs/dbraw/zinc/51/86/62/1317518662.db2.gz GDEWBCFZUPCCQP-WJVFMTCISA-N 1 0 342.483 3.177 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000858186072 1328706692 /nfs/dbraw/zinc/70/66/92/1328706692.db2.gz PUOCTPWVXRBBOI-CABCVRRESA-N 1 0 339.277 3.261 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C)cs3)C2)cc1C ZINC001020132755 1317555363 /nfs/dbraw/zinc/55/53/63/1317555363.db2.gz ZUWBCUOPITVIAX-WKILWMFISA-N 1 0 344.480 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[C@H](F)C3)C2)cc1C ZINC001020142554 1317559375 /nfs/dbraw/zinc/55/93/75/1317559375.db2.gz GAOMMVSTQTXJSO-XSLAGTTESA-N 1 0 348.462 3.269 20 10 EGCDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000807441347 1317566518 /nfs/dbraw/zinc/56/65/18/1317566518.db2.gz GFNQFFRXRLGBJN-ZBFHGGJFSA-N 1 0 345.443 3.256 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)C3CCC3)C2)cc1C ZINC001020282406 1317622763 /nfs/dbraw/zinc/62/27/63/1317622763.db2.gz NIFPMKRKLWFEGG-WBAXXEDZSA-N 1 0 330.472 3.177 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1C(C)C ZINC000808206991 1317645705 /nfs/dbraw/zinc/64/57/05/1317645705.db2.gz NUSWRDXSUNVPMD-MRXNPFEDSA-N 1 0 330.472 3.268 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CN(C)Cc2ccccc2)c1 ZINC000808445285 1317679313 /nfs/dbraw/zinc/67/93/13/1317679313.db2.gz BUKGWMFROICTAO-MRXNPFEDSA-N 1 0 328.456 3.401 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c1O ZINC000808700487 1317717235 /nfs/dbraw/zinc/71/72/35/1317717235.db2.gz LSVSPVUKLXAVFQ-WBMJQRKESA-N 1 0 328.909 3.442 20 10 EGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808715548 1317720216 /nfs/dbraw/zinc/72/02/16/1317720216.db2.gz VRTUTSCFFBDBGA-WCQYABFASA-N 1 0 326.824 3.235 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)cc1C ZINC001020606302 1317795913 /nfs/dbraw/zinc/79/59/13/1317795913.db2.gz JCOXIQISLSUKAD-NCXUSEDFSA-N 1 0 344.499 3.423 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2c3ccccc3CCN2C(C)=O)cc1C ZINC000958766863 1317828221 /nfs/dbraw/zinc/82/82/21/1317828221.db2.gz OIKUTEJGWLDEBV-FQEVSTJZSA-N 1 0 338.451 3.239 20 10 EGCDRO Cc1ccncc1CCCN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000809639938 1317854684 /nfs/dbraw/zinc/85/46/84/1317854684.db2.gz RDJWDIJCSZQUHV-UHFFFAOYSA-N 1 0 327.472 3.399 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000809698099 1317868296 /nfs/dbraw/zinc/86/82/96/1317868296.db2.gz VTOIQSNUKFCZGI-TZIWHRDSSA-N 1 0 339.435 3.439 20 10 EGCDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cc(F)ccc1O ZINC000809735826 1317883653 /nfs/dbraw/zinc/88/36/53/1317883653.db2.gz UTEPBAFZHCIDQZ-IBGZPJMESA-N 1 0 343.446 3.413 20 10 EGCDRO COc1cccc(O)c1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000809740503 1317886073 /nfs/dbraw/zinc/88/60/73/1317886073.db2.gz BCWNJSKIGSOVFZ-LBPRGKRZSA-N 1 0 326.396 3.136 20 10 EGCDRO CCN(CC)c1ccc(CN(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000809740833 1317886557 /nfs/dbraw/zinc/88/65/57/1317886557.db2.gz JRDYDBHYLCCROP-UHFFFAOYSA-N 1 0 340.515 3.492 20 10 EGCDRO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000809755169 1317892462 /nfs/dbraw/zinc/89/24/62/1317892462.db2.gz GWKLJNKJSNKVDA-CYBMUJFWSA-N 1 0 326.843 3.348 20 10 EGCDRO CCOC1CC([N@H+](C)Cc2cc(Br)cc(C)c2O)C1 ZINC000809773578 1317895928 /nfs/dbraw/zinc/89/59/28/1317895928.db2.gz GEVSCLGALWGPEL-UHFFFAOYSA-N 1 0 328.250 3.462 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(C)C)C2)cc1C ZINC001020849026 1317953893 /nfs/dbraw/zinc/95/38/93/1317953893.db2.gz PSSPHZVDGCSVFU-BRSBDYLESA-N 1 0 330.472 3.033 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000810145151 1317963414 /nfs/dbraw/zinc/96/34/14/1317963414.db2.gz UDAULPYQANDXOV-UHFFFAOYSA-N 1 0 327.302 3.415 20 10 EGCDRO CC[C@@H]([NH2+]CCc1cncn1C)c1ccc(C(F)(F)F)cc1O ZINC000810238091 1317984346 /nfs/dbraw/zinc/98/43/46/1317984346.db2.gz YAJFNCUDDVMWGL-CQSZACIVSA-N 1 0 327.350 3.428 20 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Cc1cc(N(C)C)ccc1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000840916535 1321176942 /nfs/dbraw/zinc/17/69/42/1321176942.db2.gz AUYQFJMASVPTTH-UHFFFAOYSA-N 1 0 343.515 3.286 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840924622 1321179078 /nfs/dbraw/zinc/17/90/78/1321179078.db2.gz ZKTNPZFNCSCXTN-UHFFFAOYSA-N 1 0 338.499 3.425 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccnc1OCC(F)F ZINC000840935688 1321180803 /nfs/dbraw/zinc/18/08/03/1321180803.db2.gz ACVQGSOGOIFVPX-UHFFFAOYSA-N 1 0 335.398 3.390 20 10 EGCDRO CCn1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000840954439 1321185276 /nfs/dbraw/zinc/18/52/76/1321185276.db2.gz FAGCLLNSZQPIJI-UHFFFAOYSA-N 1 0 337.423 3.477 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c1O ZINC000840964855 1321189208 /nfs/dbraw/zinc/18/92/08/1321189208.db2.gz WDUXAYKBAZJDOF-VWYCJHECSA-N 1 0 344.249 3.066 20 10 EGCDRO CC[C@](C[NH2+]Cc1cc(OC)ccc1O)(C(=O)OC)c1ccccc1 ZINC000840979680 1321193683 /nfs/dbraw/zinc/19/36/83/1321193683.db2.gz ZNQBIQRVCIEGAJ-HXUWFJFHSA-N 1 0 343.423 3.011 20 10 EGCDRO CCC([NH3+])(CC)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841031046 1321204395 /nfs/dbraw/zinc/20/43/95/1321204395.db2.gz OOOLWZVPZKGSOK-UHFFFAOYSA-N 1 0 334.464 3.192 20 10 EGCDRO CCOc1c(OC)cc(C[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000841036550 1321205881 /nfs/dbraw/zinc/20/58/81/1321205881.db2.gz VBFVJRONBXARHU-UHFFFAOYSA-N 1 0 330.428 3.017 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000841042778 1321207832 /nfs/dbraw/zinc/20/78/32/1321207832.db2.gz OCXPPYPQWGLCER-NRFANRHFSA-N 1 0 339.483 3.331 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000841044716 1321208396 /nfs/dbraw/zinc/20/83/96/1321208396.db2.gz XWKIAKJEHFXLLN-INIZCTEOSA-N 1 0 348.834 3.104 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2cccc3c2CCCN3)cc1OC ZINC000841083296 1321215839 /nfs/dbraw/zinc/21/58/39/1321215839.db2.gz NMYZBVUFMIVUEZ-UHFFFAOYSA-N 1 0 328.412 3.057 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299954 1321249418 /nfs/dbraw/zinc/24/94/18/1321249418.db2.gz KUASIKKOJNCEPE-HOTGVXAUSA-N 1 0 330.476 3.387 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000841332447 1321258101 /nfs/dbraw/zinc/25/81/01/1321258101.db2.gz PYDGPEFWMXGYLQ-UHFFFAOYSA-N 1 0 338.455 3.458 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1O ZINC000841743792 1321305128 /nfs/dbraw/zinc/30/51/28/1321305128.db2.gz CEBTUPDYTZPVLO-FZMZJTMJSA-N 1 0 339.794 3.275 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCOCC2)c2c1c(F)ccc2O ZINC000841763739 1321308991 /nfs/dbraw/zinc/30/89/91/1321308991.db2.gz QLKDQMOUTKNKJE-TZMCWYRMSA-N 1 0 337.435 3.237 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000841925536 1321330178 /nfs/dbraw/zinc/33/01/78/1321330178.db2.gz FUXBVNLOEUUILM-HOTGVXAUSA-N 1 0 333.476 3.092 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000841952962 1321331804 /nfs/dbraw/zinc/33/18/04/1321331804.db2.gz JRQINOIFLBUYDL-RDJZCZTQSA-N 1 0 333.476 3.221 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000841949521 1321331878 /nfs/dbraw/zinc/33/18/78/1321331878.db2.gz PCFBYWZGSQPYAV-IEBWSBKVSA-N 1 0 346.519 3.190 20 10 EGCDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC[NH2+]1 ZINC000841989274 1321333643 /nfs/dbraw/zinc/33/36/43/1321333643.db2.gz UCUVSHYHOGWBSP-DOTOQJQBSA-N 1 0 345.487 3.377 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCC([NH2+]CC3CC3)CC2)c1O ZINC000843351371 1321504242 /nfs/dbraw/zinc/50/42/42/1321504242.db2.gz QJCWPBCXFRFWLA-UHFFFAOYSA-N 1 0 336.863 3.212 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC2(CCCC2)O1 ZINC000843434772 1321518293 /nfs/dbraw/zinc/51/82/93/1321518293.db2.gz NTKNLYPFANNJIJ-QGZVFWFLSA-N 1 0 330.472 3.057 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]([NH3+])CC(F)F ZINC000843484309 1321522134 /nfs/dbraw/zinc/52/21/34/1321522134.db2.gz JPBNLXWCBYWAFA-XJKSGUPXSA-N 1 0 348.393 3.465 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843486999 1321522186 /nfs/dbraw/zinc/52/21/86/1321522186.db2.gz YLNLUZYFPXKFCZ-MGPUTAFESA-N 1 0 342.414 3.184 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(OC(C)=O)cc2)cc1 ZINC000844400492 1321600576 /nfs/dbraw/zinc/60/05/76/1321600576.db2.gz CQEPHBJQLBMJNL-UHFFFAOYSA-N 1 0 342.439 3.189 20 10 EGCDRO COC(=O)c1ccc([C@@H](C)[N@H+](C)CCN(C)c2ccc(OC)cc2)o1 ZINC000844399755 1321600613 /nfs/dbraw/zinc/60/06/13/1321600613.db2.gz NUYACYJUAQNPID-CQSZACIVSA-N 1 0 346.427 3.204 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000844913086 1321657816 /nfs/dbraw/zinc/65/78/16/1321657816.db2.gz YQTQTWBVPSWSCL-UHFFFAOYSA-N 1 0 327.266 3.024 20 10 EGCDRO C[C@@H](C[NH2+][C@H](C)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000845988779 1321761505 /nfs/dbraw/zinc/76/15/05/1321761505.db2.gz BAWSBOOYZQNFKR-UONOGXRCSA-N 1 0 333.453 3.250 20 10 EGCDRO O=C1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CN1C1CC1 ZINC000846076004 1321767323 /nfs/dbraw/zinc/76/73/23/1321767323.db2.gz ZGYIMZASQAEFLF-HNNXBMFYSA-N 1 0 336.435 3.160 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1O ZINC000846137576 1321770044 /nfs/dbraw/zinc/77/00/44/1321770044.db2.gz SIJFWYKFUHNCOL-AWEZNQCLSA-N 1 0 340.423 3.378 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c1O ZINC000846135956 1321770184 /nfs/dbraw/zinc/77/01/84/1321770184.db2.gz DOJQABSXZLPUBN-GUYCJALGSA-N 1 0 332.419 3.493 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](Cc2ccccc2)N(C)C)c1O ZINC000846135463 1321770216 /nfs/dbraw/zinc/77/02/16/1321770216.db2.gz DAZORJVBOZFLEV-WBVHZDCISA-N 1 0 328.456 3.224 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846141426 1321770597 /nfs/dbraw/zinc/77/05/97/1321770597.db2.gz INKROXOMFXNMKV-HNNXBMFYSA-N 1 0 342.439 3.100 20 10 EGCDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)c(OC)c1 ZINC000846141284 1321770750 /nfs/dbraw/zinc/77/07/50/1321770750.db2.gz HOKAWSSFXMUCDF-ZDUSSCGKSA-N 1 0 331.412 3.311 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COc3c(cccc3OC)C2)c1O ZINC000846146437 1321771128 /nfs/dbraw/zinc/77/11/28/1321771128.db2.gz QTSQFKZJOCJYDV-JSGCOSHPSA-N 1 0 329.396 3.064 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000846144333 1321771586 /nfs/dbraw/zinc/77/15/86/1321771586.db2.gz KLMVQOZIXSVWLJ-ZFWWWQNUSA-N 1 0 340.423 3.136 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000846169963 1321773917 /nfs/dbraw/zinc/77/39/17/1321773917.db2.gz HGHIFMOCWNGLGD-NQYLQCIDSA-N 1 0 327.424 3.218 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000846170763 1321774013 /nfs/dbraw/zinc/77/40/13/1321774013.db2.gz ZOSYOWRIELJUBM-JOQOYGCGSA-N 1 0 328.412 3.367 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)ccc1OC ZINC000848576105 1321978633 /nfs/dbraw/zinc/97/86/33/1321978633.db2.gz ZVCRTXRENMTDBQ-OALUTQOASA-N 1 0 332.488 3.338 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000848881106 1322027445 /nfs/dbraw/zinc/02/74/45/1322027445.db2.gz MQGVOMVCHDVBTG-UHFFFAOYSA-N 1 0 338.451 3.349 20 10 EGCDRO CCc1cccc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c1O ZINC000848903549 1322040379 /nfs/dbraw/zinc/04/03/79/1322040379.db2.gz WBYHKSADXFWPDA-UHFFFAOYSA-N 1 0 340.471 3.190 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1O ZINC000848903095 1322040733 /nfs/dbraw/zinc/04/07/33/1322040733.db2.gz YHCDNXBNNFEBCI-UHFFFAOYSA-N 1 0 326.396 3.201 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCc3ccccc3NC2=O)c1O ZINC000848922440 1322046203 /nfs/dbraw/zinc/04/62/03/1322046203.db2.gz SEZACYPCRJGBLT-HNNXBMFYSA-N 1 0 346.814 3.097 20 10 EGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000850515368 1322260173 /nfs/dbraw/zinc/26/01/73/1322260173.db2.gz XCOVZICQVIGSFH-FZKQIMNGSA-N 1 0 331.412 3.448 20 10 EGCDRO CC[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(Cl)ccc1O ZINC000850558431 1322266986 /nfs/dbraw/zinc/26/69/86/1322266986.db2.gz WSTGTZHDWLVWOJ-RDJZCZTQSA-N 1 0 338.879 3.340 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000850562693 1322268050 /nfs/dbraw/zinc/26/80/50/1322268050.db2.gz PCVFLJVMQSDKFF-BTYIYWSLSA-N 1 0 347.499 3.489 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Cl)ccc1O ZINC000850563340 1322268558 /nfs/dbraw/zinc/26/85/58/1322268558.db2.gz WHHMHLKLXJELOS-PXAZEXFGSA-N 1 0 327.852 3.264 20 10 EGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568377 1322269117 /nfs/dbraw/zinc/26/91/17/1322269117.db2.gz WOEQSXPXIHFUEB-MRXNPFEDSA-N 1 0 325.456 3.202 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cn1 ZINC000850568143 1322269261 /nfs/dbraw/zinc/26/92/61/1322269261.db2.gz QFOCMJSAEVAOSH-AWEZNQCLSA-N 1 0 329.419 3.033 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(Cl)c(C)nn3C)C2)cc1 ZINC000922196313 1322476351 /nfs/dbraw/zinc/47/63/51/1322476351.db2.gz KXGLWRUCBLOHMO-CQSZACIVSA-N 1 0 348.878 3.007 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC000851670949 1323068565 /nfs/dbraw/zinc/06/85/65/1323068565.db2.gz CJRWYFOCUZEKLN-UHFFFAOYSA-N 1 0 344.503 3.090 20 10 EGCDRO COc1ccc(N2CCCN(CC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000851733572 1323075855 /nfs/dbraw/zinc/07/58/55/1323075855.db2.gz ZXFHUKSQQDVFDR-OALUTQOASA-N 1 0 345.531 3.185 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](CO)Cc2ccccc2)c1O ZINC000852289287 1323174162 /nfs/dbraw/zinc/17/41/62/1323174162.db2.gz MRAMQPBWOQTUNA-KRWDZBQOSA-N 1 0 347.842 3.284 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)c3cccc4c3C[NH2+]C4)cc2)CC1 ZINC000852803548 1323242741 /nfs/dbraw/zinc/24/27/41/1323242741.db2.gz LCDLEXWTAMCZTE-UHFFFAOYSA-N 1 0 349.478 3.456 20 10 EGCDRO CC[C@H](F)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001025041166 1323843651 /nfs/dbraw/zinc/84/36/51/1323843651.db2.gz UWPYKTLAKUTUIL-SJORKVTESA-N 1 0 336.451 3.222 20 10 EGCDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000860179545 1329168035 /nfs/dbraw/zinc/16/80/35/1329168035.db2.gz FFBWOFWRWMSSHD-FQEVSTJZSA-N 1 0 343.515 3.476 20 10 EGCDRO C/C=C(/C)C(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)[C@H]2C1 ZINC001026235535 1324679315 /nfs/dbraw/zinc/67/93/15/1324679315.db2.gz RRSIQMCFRSNLTA-GIRDAOKOSA-N 1 0 342.483 3.296 20 10 EGCDRO COC(=O)c1cc(C[NH2+]Cc2cc(Cl)ccc2O)n2c1CCCC2 ZINC000857049499 1325564054 /nfs/dbraw/zinc/56/40/54/1325564054.db2.gz MHHLSGKNVCURQI-UHFFFAOYSA-N 1 0 348.830 3.260 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926612663 1327633955 /nfs/dbraw/zinc/63/39/55/1327633955.db2.gz QPBZRBFEVDHAFN-HOTGVXAUSA-N 1 0 341.455 3.276 20 10 EGCDRO CC[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000927084868 1327853416 /nfs/dbraw/zinc/85/34/16/1327853416.db2.gz WOADZEZIZILNKV-OCCSQVGLSA-N 1 0 333.350 3.257 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C/c3ccco3)C2)cc1C ZINC000966377694 1328281538 /nfs/dbraw/zinc/28/15/38/1328281538.db2.gz CUMIAMVTQGOBGK-DBWMJRBXSA-N 1 0 340.423 3.001 20 10 EGCDRO Oc1cccc(Br)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000862247649 1329470825 /nfs/dbraw/zinc/47/08/25/1329470825.db2.gz KPUCMYSLPFCKOJ-CYBMUJFWSA-N 1 0 339.277 3.072 20 10 EGCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862337728 1329475829 /nfs/dbraw/zinc/47/58/29/1329475829.db2.gz ZJNONUKCTPQOHT-GYSYKLTISA-N 1 0 328.250 3.136 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)c1 ZINC000862475907 1329489225 /nfs/dbraw/zinc/48/92/25/1329489225.db2.gz BIJOGOGRHCWHMV-UHFFFAOYSA-N 1 0 333.741 3.396 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1C ZINC000865721502 1329732425 /nfs/dbraw/zinc/73/24/25/1329732425.db2.gz YUVCPMYWDMKNQB-UHFFFAOYSA-N 1 0 343.496 3.242 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866435336 1330111903 /nfs/dbraw/zinc/11/19/03/1330111903.db2.gz AQYUAZFIYDFWGY-YPMHNXCESA-N 1 0 348.756 3.481 20 10 EGCDRO C[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1O ZINC000868103260 1330249545 /nfs/dbraw/zinc/24/95/45/1330249545.db2.gz QJCQLLCMNXUZEF-JKSUJKDBSA-N 1 0 333.476 3.407 20 10 EGCDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000868791203 1330344776 /nfs/dbraw/zinc/34/47/76/1330344776.db2.gz MYHOMZNVJHQSNP-WBVHZDCISA-N 1 0 339.439 3.027 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@]34C[C@@H]3CCCC4)C2)cc1C ZINC000969875801 1336255946 /nfs/dbraw/zinc/25/59/46/1336255946.db2.gz KISPURBPNNCLES-UEXGIBASSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC3CCCC3)C2)cc1C ZINC001018446218 1339623263 /nfs/dbraw/zinc/62/32/63/1339623263.db2.gz SXLGAATUPFGVHL-SFHVURJKSA-N 1 0 330.472 3.274 20 10 EGCDRO CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028339783 1340576917 /nfs/dbraw/zinc/57/69/17/1340576917.db2.gz CCFGJVWLFJSZMJ-CJNGLKHVSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1C ZINC001029128811 1340937155 /nfs/dbraw/zinc/93/71/55/1340937155.db2.gz PUUDRIIYTRWIOX-SIXWZSSISA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C)CC2)cc1C ZINC001034588062 1342633576 /nfs/dbraw/zinc/63/35/76/1342633576.db2.gz OHPCWECOBQNMQX-BNEJOLLZSA-N 1 0 330.472 3.177 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)cc1C ZINC001035074763 1342913830 /nfs/dbraw/zinc/91/38/30/1342913830.db2.gz QUFZMAPAKFGPKG-CEXWTWQISA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)F)C[C@H]2C)cc1C ZINC001035879299 1343244682 /nfs/dbraw/zinc/24/46/82/1343244682.db2.gz GFWBJXLPBJBITN-GDBMZVCRSA-N 1 0 336.451 3.078 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)C)C[C@H]2C)cc1C ZINC001036269795 1343388188 /nfs/dbraw/zinc/38/81/88/1343388188.db2.gz ZYLAZXXHERWZLN-NVXWUHKLSA-N 1 0 332.488 3.376 20 10 EGCDRO CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001036598769 1343569978 /nfs/dbraw/zinc/56/99/78/1343569978.db2.gz ABJDQCLVPCAEBD-CZUORRHYSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)c2cc[nH]c2)cc1C ZINC001037015148 1343931073 /nfs/dbraw/zinc/93/10/73/1343931073.db2.gz VUIYGNJZEGOXEM-FUHWJXTLSA-N 1 0 341.455 3.020 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C\C3CC3)[C@@H](C)C2)cc1C ZINC001044531779 1346359318 /nfs/dbraw/zinc/35/93/18/1346359318.db2.gz OXLXGBWMORYYGE-FAASWCDASA-N 1 0 342.483 3.439 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001044984028 1346474768 /nfs/dbraw/zinc/47/47/68/1346474768.db2.gz WFZXDFIEQLZXQT-PNYFIKQUSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC2(C)C)cc1C ZINC001045000617 1346478616 /nfs/dbraw/zinc/47/86/16/1346478616.db2.gz ORGPZGCDRQROAX-IRXDYDNUSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CC2(C)C)cc1C ZINC001045000616 1346478717 /nfs/dbraw/zinc/47/87/17/1346478717.db2.gz ORGPZGCDRQROAX-DLBZAZTESA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3ccco3)C2)cc1C ZINC001047695190 1347335643 /nfs/dbraw/zinc/33/56/43/1347335643.db2.gz YOIPXCRYZCQYLG-DOTOQJQBSA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C3CCC3)C[C@H]2C)cc1C ZINC001082586637 1358059912 /nfs/dbraw/zinc/05/99/12/1358059912.db2.gz DWDJRJKWTFBPBV-GPMSIDNRSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cccs3)C2)cc1C ZINC001086297483 1359060087 /nfs/dbraw/zinc/06/00/87/1359060087.db2.gz IAWCMGBQSCNVEM-WKILWMFISA-N 1 0 344.480 3.363 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc[nH]c3)C2)cc1C ZINC001086703969 1359189115 /nfs/dbraw/zinc/18/91/15/1359189115.db2.gz ZNGRACNMKUCWGK-FUHWJXTLSA-N 1 0 341.455 3.020 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC001324600413 1387691597 /nfs/dbraw/zinc/69/15/97/1387691597.db2.gz BUWRUNKCWHSMNU-GXTWGEPZSA-N 1 0 335.411 3.219 20 10 EGCDRO O[C@H](C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1)C(F)(F)F ZINC001324749004 1387759496 /nfs/dbraw/zinc/75/94/96/1387759496.db2.gz BCAPZBZHLYRLEM-QGZVFWFLSA-N 1 0 342.405 3.422 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(F)(F)F ZINC001325242646 1387921062 /nfs/dbraw/zinc/92/10/62/1387921062.db2.gz SOHSZBOQAMYPAZ-CYBMUJFWSA-N 1 0 347.400 3.256 20 10 EGCDRO CC[NH+](CC)CCCNC(=S)NCc1cc2ccccc2cc1O ZINC001196712790 1368669153 /nfs/dbraw/zinc/66/91/53/1368669153.db2.gz WYTICYLJGHSMHW-UHFFFAOYSA-N 1 0 345.512 3.241 20 10 EGCDRO CN(C)c1ncccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001325600005 1388009920 /nfs/dbraw/zinc/00/99/20/1388009920.db2.gz KPTHKCMEZNKUOI-SFHVURJKSA-N 1 0 341.455 3.034 20 10 EGCDRO C/C=C(\C)C(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCC2 ZINC001202737100 1369873563 /nfs/dbraw/zinc/87/35/63/1369873563.db2.gz UFBRLHGIERXQQV-QIUVRHOZSA-N 1 0 342.483 3.487 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC001325786513 1388045840 /nfs/dbraw/zinc/04/58/40/1388045840.db2.gz UGEYZPIXQXRKGH-BBRMVZONSA-N 1 0 334.851 3.099 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCCF)C23CCC3)cc1C ZINC001203290713 1370064079 /nfs/dbraw/zinc/06/40/79/1370064079.db2.gz XMYWCIOMJKOKCT-ROUUACIJSA-N 1 0 348.462 3.270 20 10 EGCDRO CN1C(=O)C2(CC[NH+](Cc3ccccc3O)CC2)[C@H]1c1ccccc1 ZINC001203552186 1370167088 /nfs/dbraw/zinc/16/70/88/1370167088.db2.gz DHVHRSXWSZTGNK-LJQANCHMSA-N 1 0 336.435 3.188 20 10 EGCDRO COc1cccc(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)c1O ZINC001203589740 1370180828 /nfs/dbraw/zinc/18/08/28/1370180828.db2.gz MUFKUXAORBGDPE-HOTGVXAUSA-N 1 0 344.480 3.026 20 10 EGCDRO COc1cccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c1O ZINC001203595824 1370181748 /nfs/dbraw/zinc/18/17/48/1370181748.db2.gz PTTLRCRHXWDWBM-UHFFFAOYSA-N 1 0 331.387 3.024 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001203627501 1370192364 /nfs/dbraw/zinc/19/23/64/1370192364.db2.gz HGHXWOZTLYJSAT-OWQGQXMQSA-N 1 0 347.455 3.343 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001203634516 1370195346 /nfs/dbraw/zinc/19/53/46/1370195346.db2.gz JYTSHEHOJQMQJT-FXAWDEMLSA-N 1 0 338.451 3.107 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c(O)c1 ZINC001203634736 1370195454 /nfs/dbraw/zinc/19/54/54/1370195454.db2.gz SWIPQSUDBDWEFV-KRWDZBQOSA-N 1 0 326.396 3.004 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001203651439 1370201515 /nfs/dbraw/zinc/20/15/15/1370201515.db2.gz OMNXZFIWFUGSLE-CHWSQXEVSA-N 1 0 341.732 3.273 20 10 EGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665796 1370208501 /nfs/dbraw/zinc/20/85/01/1370208501.db2.gz VCLRPNYATYRWLX-HNNXBMFYSA-N 1 0 348.830 3.493 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC001203671234 1370210770 /nfs/dbraw/zinc/21/07/70/1370210770.db2.gz LJRPTYASRZBSEU-UHFFFAOYSA-N 1 0 343.423 3.356 20 10 EGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)c1 ZINC001203675036 1370212501 /nfs/dbraw/zinc/21/25/01/1370212501.db2.gz IVOMWMYERWCUIS-IBGZPJMESA-N 1 0 343.423 3.453 20 10 EGCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001203675157 1370212597 /nfs/dbraw/zinc/21/25/97/1370212597.db2.gz PBGALFUVLPYMBY-KRWDZBQOSA-N 1 0 349.471 3.056 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC001203674779 1370212748 /nfs/dbraw/zinc/21/27/48/1370212748.db2.gz BHBYCNOXPQKUFA-UHFFFAOYSA-N 1 0 331.387 3.024 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC3(COc4ccccc43)CC2)c1 ZINC001203680620 1370215892 /nfs/dbraw/zinc/21/58/92/1370215892.db2.gz AMQFMYAMIVWXEW-UHFFFAOYSA-N 1 0 325.408 3.327 20 10 EGCDRO CC[N@H+](Cc1ccc(OC(C)=O)c(OC)c1)Cc1ccccc1O ZINC001203837639 1370285800 /nfs/dbraw/zinc/28/58/00/1370285800.db2.gz VLODHOGTLYOBFU-UHFFFAOYSA-N 1 0 329.396 3.348 20 10 EGCDRO C[N@H+](Cc1cccc(F)c1)C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203879984 1370297562 /nfs/dbraw/zinc/29/75/62/1370297562.db2.gz HWXVESQZMPSTGM-UHFFFAOYSA-N 1 0 344.430 3.333 20 10 EGCDRO C[N@H+](Cc1ccccc1)C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882513 1370298685 /nfs/dbraw/zinc/29/86/85/1370298685.db2.gz KAYPSMNZKCXNBF-UHFFFAOYSA-N 1 0 326.440 3.194 20 10 EGCDRO CN(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC23CC3)cc1 ZINC001203931012 1370319369 /nfs/dbraw/zinc/31/93/69/1370319369.db2.gz KYVIHZKNVYRKNI-UHFFFAOYSA-N 1 0 345.487 3.338 20 10 EGCDRO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935806 1370321561 /nfs/dbraw/zinc/32/15/61/1370321561.db2.gz DTNSIQDTQIWFSJ-GOSISDBHSA-N 1 0 341.455 3.200 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)cc1 ZINC001203936881 1370322105 /nfs/dbraw/zinc/32/21/05/1370322105.db2.gz QFRSAIMCKHINGA-UHFFFAOYSA-N 1 0 335.492 3.489 20 10 EGCDRO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937349 1370322743 /nfs/dbraw/zinc/32/27/43/1370322743.db2.gz VVOHTICREHUOTR-LJQANCHMSA-N 1 0 325.456 3.499 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)cc1 ZINC001203943833 1370324082 /nfs/dbraw/zinc/32/40/82/1370324082.db2.gz HKAVFAKQHGMLKG-LJQANCHMSA-N 1 0 340.471 3.285 20 10 EGCDRO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240551 1370419041 /nfs/dbraw/zinc/41/90/41/1370419041.db2.gz XZRIYYGLNUVEPJ-IBGZPJMESA-N 1 0 326.440 3.433 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)[C@H](C)CN1Cc1ccccc1 ZINC001204283121 1370430970 /nfs/dbraw/zinc/43/09/70/1370430970.db2.gz ZKJGTXSHTYQDNA-HZPDHXFCSA-N 1 0 326.440 3.193 20 10 EGCDRO C[C@]1(c2ccc(Cl)cc2)C[N@H+](Cc2ccc(O)cc2O)CCO1 ZINC001204281151 1370431247 /nfs/dbraw/zinc/43/12/47/1370431247.db2.gz ROSXYXIHMPZQEP-GOSISDBHSA-N 1 0 333.815 3.499 20 10 EGCDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204326460 1370444808 /nfs/dbraw/zinc/44/48/08/1370444808.db2.gz IDCBTTNPOAHTDL-OAQYLSRUSA-N 1 0 341.499 3.264 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)cc(O)c1O ZINC001204341508 1370448419 /nfs/dbraw/zinc/44/84/19/1370448419.db2.gz DTTZLWMWIZZBPG-HNNXBMFYSA-N 1 0 329.396 3.068 20 10 EGCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1c(O)ccc2cc(Br)ccc21 ZINC001205197101 1370676798 /nfs/dbraw/zinc/67/67/98/1370676798.db2.gz FOANIISIKRYDPX-MEBBXXQBSA-N 1 0 335.245 3.229 20 10 EGCDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1C ZINC001116017624 1370820807 /nfs/dbraw/zinc/82/08/07/1370820807.db2.gz DSEONIROZTXXSS-UHFFFAOYSA-N 1 0 326.444 3.079 20 10 EGCDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@](N)(C(F)(F)F)C3)ccc2O1 ZINC001206251224 1371003619 /nfs/dbraw/zinc/00/36/19/1371003619.db2.gz NGSGUSKAGHVGJT-INIZCTEOSA-N 1 0 342.361 3.042 20 10 EGCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001206317023 1371020473 /nfs/dbraw/zinc/02/04/73/1371020473.db2.gz BAKQOZBNFDDNBG-OAHLLOKOSA-N 1 0 345.256 3.245 20 10 EGCDRO CCC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001120226141 1371509573 /nfs/dbraw/zinc/50/95/73/1371509573.db2.gz HRPNHUDHRKHXNX-UHFFFAOYSA-N 1 0 345.447 3.281 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)cc1 ZINC001209516881 1372127095 /nfs/dbraw/zinc/12/70/95/1372127095.db2.gz RLPWUQROOISVFG-HMXCVIKNSA-N 1 0 340.467 3.066 20 10 EGCDRO CNc1cc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC001216335268 1373301753 /nfs/dbraw/zinc/30/17/53/1373301753.db2.gz NLBLENQJPHKWKC-UHFFFAOYSA-N 1 0 345.358 3.348 20 10 EGCDRO C[C@H](COc1ccc(N2CC[NH2+]CC2)cc1)OCc1ccccc1 ZINC001218306558 1373592290 /nfs/dbraw/zinc/59/22/90/1373592290.db2.gz ZHQZTXJHXZMZBS-QGZVFWFLSA-N 1 0 326.440 3.080 20 10 EGCDRO Cc1ccc(OC[C@@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001218357192 1373602619 /nfs/dbraw/zinc/60/26/19/1373602619.db2.gz FZSQIFDSLLXBHP-QGZVFWFLSA-N 1 0 326.440 3.251 20 10 EGCDRO Cc1cccc(OC[C@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001218358379 1373602733 /nfs/dbraw/zinc/60/27/33/1373602733.db2.gz RTUMSHNUBSIQRD-KRWDZBQOSA-N 1 0 326.440 3.251 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C2CCC3(CC3)CC2)cc1C ZINC001131426340 1373696013 /nfs/dbraw/zinc/69/60/13/1373696013.db2.gz JLICYRXKOJHLOQ-UHFFFAOYSA-N 1 0 330.472 3.180 20 10 EGCDRO Oc1ccc(OCc2ccccc2)cc1CN1CC[C@@]12CCC[NH2+]C2 ZINC001222198062 1373820157 /nfs/dbraw/zinc/82/01/57/1373820157.db2.gz UDQFENLMWZZVOD-OAQYLSRUSA-N 1 0 338.451 3.299 20 10 EGCDRO Oc1c(CN2CCC[C@@]3(CCCC[NH2+]3)C2)cccc1OC(F)(F)F ZINC001222394758 1373834703 /nfs/dbraw/zinc/83/47/03/1373834703.db2.gz AKKFYLSKIGJDNK-INIZCTEOSA-N 1 0 344.377 3.399 20 10 EGCDRO CC1(C)C=Cc2c(O)c(CN3CC[C@@]4(C3)CCCC[NH2+]4)ccc2O1 ZINC001222441270 1373846223 /nfs/dbraw/zinc/84/62/23/1373846223.db2.gz IBGZWNAPIHAWPV-HXUWFJFHSA-N 1 0 328.456 3.294 20 10 EGCDRO CN1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@H]21 ZINC001231470155 1376248439 /nfs/dbraw/zinc/24/84/39/1376248439.db2.gz PLTKHSIUANZBHE-FXAWDEMLSA-N 1 0 338.451 3.107 20 10 EGCDRO COc1ccc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC001231593445 1376274073 /nfs/dbraw/zinc/27/40/73/1376274073.db2.gz YUYBWBCROUGXRS-UHFFFAOYSA-N 1 0 326.440 3.027 20 10 EGCDRO Cc1cccc(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1O ZINC001231592684 1376274101 /nfs/dbraw/zinc/27/41/01/1376274101.db2.gz JJVSEMDXNWRGMX-VQTJNVASSA-N 1 0 344.499 3.023 20 10 EGCDRO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c(O)cc1O ZINC001231635494 1376286309 /nfs/dbraw/zinc/28/63/09/1376286309.db2.gz DJTZGQGAHKZHOA-SIXWZSSISA-N 1 0 347.455 3.134 20 10 EGCDRO COc1cc(C[NH+]2CCC(c3cccc(O)c3)CC2)c(O)cc1O ZINC001231638699 1376289468 /nfs/dbraw/zinc/28/94/68/1376289468.db2.gz DNJMGOINWIJFGD-UHFFFAOYSA-N 1 0 329.396 3.192 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc2cc[nH]c2cn1 ZINC001231668490 1376300105 /nfs/dbraw/zinc/30/01/05/1376300105.db2.gz WXIJZJBGJJPMJP-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c(O)c1 ZINC001231846201 1376325000 /nfs/dbraw/zinc/32/50/00/1376325000.db2.gz DAWDNBQSMBOVJK-SFHVURJKSA-N 1 0 327.424 3.289 20 10 EGCDRO Cc1cccc(N2CCN(Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC001231869510 1376330607 /nfs/dbraw/zinc/33/06/07/1376330607.db2.gz UUWGPOSBZAJSEO-UHFFFAOYSA-N 1 0 331.847 3.380 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)cc1Cl ZINC001231871278 1376333292 /nfs/dbraw/zinc/33/32/92/1376333292.db2.gz ISIXPWZTBUESEJ-HNNXBMFYSA-N 1 0 347.846 3.496 20 10 EGCDRO Cc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc(C)n1 ZINC001232000356 1376377889 /nfs/dbraw/zinc/37/78/89/1376377889.db2.gz JKSDVXJKRSIIKH-UHFFFAOYSA-N 1 0 325.456 3.167 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1C ZINC001134319686 1376474622 /nfs/dbraw/zinc/47/46/22/1376474622.db2.gz XAVRRGBWLZMSBH-RUYXUALKSA-N 1 0 344.499 3.426 20 10 EGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)cc1 ZINC001232835101 1376521064 /nfs/dbraw/zinc/52/10/64/1376521064.db2.gz VWKNUEVVWZZXEC-UHFFFAOYSA-N 1 0 325.456 3.089 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC001233079634 1376564869 /nfs/dbraw/zinc/56/48/69/1376564869.db2.gz IFRIHGUMDXZIIG-UHFFFAOYSA-N 1 0 348.393 3.391 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)c(F)cc1N ZINC001233380823 1376632196 /nfs/dbraw/zinc/63/21/96/1376632196.db2.gz FVQLDMQDSGMAOJ-UHFFFAOYSA-N 1 0 347.409 3.016 20 10 EGCDRO CC[C@@H](C)c1cc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001134970036 1376818610 /nfs/dbraw/zinc/81/86/10/1376818610.db2.gz OXRSVHHMBNEAQE-CYBMUJFWSA-N 1 0 345.443 3.025 20 10 EGCDRO Oc1cccc(OC(F)(F)F)c1CN1CCCCC12CC[NH2+]CC2 ZINC001235190752 1376858037 /nfs/dbraw/zinc/85/80/37/1376858037.db2.gz KEQQNWHWMWRLFM-UHFFFAOYSA-N 1 0 344.377 3.399 20 10 EGCDRO COc1cc(O)c(CN2CC[NH2+][C@H](c3ccccc3)C2)cc1Cl ZINC001235858357 1376905614 /nfs/dbraw/zinc/90/56/14/1376905614.db2.gz WRPYEAVSKCZKQL-INIZCTEOSA-N 1 0 332.831 3.201 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH3+])CN1Cc1ccc(OCc2ccccc2)cc1O ZINC001235903024 1376916041 /nfs/dbraw/zinc/91/60/41/1376916041.db2.gz HRWPTZAQTQPOEC-CRAIPNDOSA-N 1 0 326.440 3.283 20 10 EGCDRO CCN(CC)c1ccc(CN(CC[NH3+])Cc2ccccc2)c(O)c1 ZINC001236524643 1376955975 /nfs/dbraw/zinc/95/59/75/1376955975.db2.gz YDWZKBRPHMVKIR-UHFFFAOYSA-N 1 0 327.472 3.199 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(C)c2Cl)cc1C ZINC001135532296 1377132346 /nfs/dbraw/zinc/13/23/46/1377132346.db2.gz PAOVAVPVZHKTRS-UHFFFAOYSA-N 1 0 346.858 3.485 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)COC4)CC2)c(C)c1 ZINC001137028796 1377461606 /nfs/dbraw/zinc/46/16/06/1377461606.db2.gz FHFCRXYKEJKXLE-UHFFFAOYSA-N 1 0 338.451 3.356 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137833290 1377625687 /nfs/dbraw/zinc/62/56/87/1377625687.db2.gz ZVLDCYDXXFPTMM-GOSISDBHSA-N 1 0 336.407 3.117 20 10 EGCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137857413 1377632517 /nfs/dbraw/zinc/63/25/17/1377632517.db2.gz GQCXFQORSRWCCH-QGZVFWFLSA-N 1 0 326.440 3.479 20 10 EGCDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1c(C)n(C)c2ccccc12 ZINC001138256951 1377694916 /nfs/dbraw/zinc/69/49/16/1377694916.db2.gz QNJHKNDJQXDHDM-LJQANCHMSA-N 1 0 327.472 3.367 20 10 EGCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138340924 1377705331 /nfs/dbraw/zinc/70/53/31/1377705331.db2.gz BSNNJZBGGSRASJ-SFHVURJKSA-N 1 0 343.515 3.006 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C)(C(=O)OC)CC2)c(OC)c1 ZINC001138389042 1377713993 /nfs/dbraw/zinc/71/39/93/1377713993.db2.gz IWVBIRBVDJVAOB-UHFFFAOYSA-N 1 0 348.487 3.317 20 10 EGCDRO CCC[NH+]1C[C@@H]2CN(Cc3ccc(N(CC)CC)cc3OC)C[C@H]2C1 ZINC001138392248 1377714378 /nfs/dbraw/zinc/71/43/78/1377714378.db2.gz UASNSQCWSKHHHN-RTBURBONSA-N 1 0 345.531 3.315 20 10 EGCDRO COc1cc(Br)cnc1CN(C)Cc1ccccc1O ZINC001139088717 1377827959 /nfs/dbraw/zinc/82/79/59/1377827959.db2.gz QRMJELBDHUTQIE-UHFFFAOYSA-N 1 0 337.217 3.190 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN3CCC[C@@H]3c3nccs3)cc2)CC1 ZINC001139412080 1377880667 /nfs/dbraw/zinc/88/06/67/1377880667.db2.gz CNMMLMKNIZSHOI-GOSISDBHSA-N 1 0 342.512 3.232 20 10 EGCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc(N(C)C)c(C)c1 ZINC001139670925 1377931011 /nfs/dbraw/zinc/93/10/11/1377931011.db2.gz GBYGBLVYDWEYMS-UHFFFAOYSA-N 1 0 330.428 3.219 20 10 EGCDRO Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1N(C)C ZINC001139674376 1377931369 /nfs/dbraw/zinc/93/13/69/1377931369.db2.gz XCSALKCNXJEPOY-FUHWJXTLSA-N 1 0 345.487 3.112 20 10 EGCDRO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1N(C)C ZINC001139674377 1377931813 /nfs/dbraw/zinc/93/18/13/1377931813.db2.gz XCSALKCNXJEPOY-SJLPKXTDSA-N 1 0 345.487 3.112 20 10 EGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139672853 1377931890 /nfs/dbraw/zinc/93/18/90/1377931890.db2.gz JMMKEPJCGWCNFL-MRXNPFEDSA-N 1 0 328.460 3.386 20 10 EGCDRO Oc1ccc(F)cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001140055364 1377997040 /nfs/dbraw/zinc/99/70/40/1377997040.db2.gz STXRHMIPPLXGBO-APWZRJJASA-N 1 0 326.415 3.238 20 10 EGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001140054937 1377997159 /nfs/dbraw/zinc/99/71/59/1377997159.db2.gz AJMAKMBIRAONQZ-VIFPVBQESA-N 1 0 345.296 3.313 20 10 EGCDRO CC1(C)[N@H+](Cc2cc(F)ccc2O)CC[C@@]12C(=O)Oc1ccccc12 ZINC001140060134 1377998382 /nfs/dbraw/zinc/99/83/82/1377998382.db2.gz LXPPCTFPQKVRJY-HXUWFJFHSA-N 1 0 341.382 3.373 20 10 EGCDRO CN(C(=O)c1ccccc1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060239 1377998413 /nfs/dbraw/zinc/99/84/13/1377998413.db2.gz QOTONFSVFZAFQP-UHFFFAOYSA-N 1 0 342.414 3.268 20 10 EGCDRO CCN(CC[NH+]1CCCC1)Cc1c(O)cccc1Br ZINC001140101106 1378007437 /nfs/dbraw/zinc/00/74/37/1378007437.db2.gz LCCMNRUWXKNLOO-UHFFFAOYSA-N 1 0 327.266 3.072 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)Cc2ccccc21 ZINC001140464316 1378066489 /nfs/dbraw/zinc/06/64/89/1378066489.db2.gz KWHMWFPIISISFW-MRXNPFEDSA-N 1 0 331.799 3.318 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140464263 1378066788 /nfs/dbraw/zinc/06/67/88/1378066788.db2.gz IUQBXCFGHGCQQK-OCCSQVGLSA-N 1 0 338.835 3.097 20 10 EGCDRO COc1cc(OC2CC[NH+](Cc3ccc(Cl)cc3O)CC2)ccn1 ZINC001140464335 1378067716 /nfs/dbraw/zinc/06/77/16/1378067716.db2.gz LPVMWHPTWXRBPN-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO Oc1cc(Cl)ccc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC001140467556 1378068954 /nfs/dbraw/zinc/06/89/54/1378068954.db2.gz XNHBXVRZNJBVGS-UHFFFAOYSA-N 1 0 330.859 3.406 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001140620015 1378099439 /nfs/dbraw/zinc/09/94/39/1378099439.db2.gz ZHVSGEQSIUCMEM-HOCLYGCPSA-N 1 0 332.444 3.142 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001140619874 1378099598 /nfs/dbraw/zinc/09/95/98/1378099598.db2.gz SRZSSDWCHMCHMM-WBVHZDCISA-N 1 0 346.471 3.389 20 10 EGCDRO Cc1ccc(O)c(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c1 ZINC001140620575 1378099624 /nfs/dbraw/zinc/09/96/24/1378099624.db2.gz TTZIVUZNQXZKLD-QUCCMNQESA-N 1 0 338.451 3.038 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c1 ZINC001140623631 1378100425 /nfs/dbraw/zinc/10/04/25/1378100425.db2.gz ZDERFXPOUXXKGP-UHFFFAOYSA-N 1 0 332.444 3.286 20 10 EGCDRO CN1CC[C@@]2(CCC[N@H+](Cc3c(O)ccc4ccccc43)CC2)C1=O ZINC001273768921 1378110454 /nfs/dbraw/zinc/11/04/54/1378110454.db2.gz AWQQRZLPQHFWAT-OAQYLSRUSA-N 1 0 338.451 3.380 20 10 EGCDRO Cc1c(O)ccc(C[N@H+](C)Cc2cncc(Br)c2)c1O ZINC001140744584 1378128219 /nfs/dbraw/zinc/12/82/19/1378128219.db2.gz COXVMAFLHDPPET-UHFFFAOYSA-N 1 0 337.217 3.196 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(N3Cc4ccccc4C3=O)CC2)c(O)c1 ZINC001140953795 1378191809 /nfs/dbraw/zinc/19/18/09/1378191809.db2.gz GSWLOTVUHDOJHY-UHFFFAOYSA-N 1 0 336.435 3.321 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001140952529 1378192108 /nfs/dbraw/zinc/19/21/08/1378192108.db2.gz WGQVXMVACORVAN-ZBFHGGJFSA-N 1 0 332.444 3.142 20 10 EGCDRO c1cncc(O[C@@H]2CC[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)c1 ZINC001141076245 1378232592 /nfs/dbraw/zinc/23/25/92/1378232592.db2.gz OBWMKMBTHKUJFA-OAQYLSRUSA-N 1 0 349.478 3.434 20 10 EGCDRO c1cnn(C2CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)c1 ZINC001141077882 1378232750 /nfs/dbraw/zinc/23/27/50/1378232750.db2.gz DPEUXUHIHHOTTI-UHFFFAOYSA-N 1 0 336.483 3.419 20 10 EGCDRO O=C1CCC2(CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)O1 ZINC001141075844 1378232831 /nfs/dbraw/zinc/23/28/31/1378232831.db2.gz CGQJKUBBMSSZMS-UHFFFAOYSA-N 1 0 340.467 3.057 20 10 EGCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141078005 1378234142 /nfs/dbraw/zinc/23/41/42/1378234142.db2.gz IKOOKRVTHWGARX-UHFFFAOYSA-N 1 0 349.478 3.087 20 10 EGCDRO CN1CCOc2cc(CN(CC[NH+](C)C)Cc3ccccc3)ccc21 ZINC001141139473 1378247094 /nfs/dbraw/zinc/24/70/94/1378247094.db2.gz UDXGVTGSYUBXMC-UHFFFAOYSA-N 1 0 339.483 3.079 20 10 EGCDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCCN3C)CCC2 ZINC001141145364 1378248262 /nfs/dbraw/zinc/24/82/62/1378248262.db2.gz AMRXOFRBHGRRRB-UHFFFAOYSA-N 1 0 338.451 3.472 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](Oc4ccc(F)cc4)C3)ccc21 ZINC001141142825 1378248514 /nfs/dbraw/zinc/24/85/14/1378248514.db2.gz BYAQSTZVQABDBC-GOSISDBHSA-N 1 0 342.414 3.308 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141156949 1378252556 /nfs/dbraw/zinc/25/25/56/1378252556.db2.gz YSLCRJQFXPTIIA-UHFFFAOYSA-N 1 0 348.443 3.073 20 10 EGCDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)cc1 ZINC001141163322 1378255693 /nfs/dbraw/zinc/25/56/93/1378255693.db2.gz ZRDAIGXYVMXSOO-QGZVFWFLSA-N 1 0 327.380 3.222 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)c(OC)n1 ZINC001327532293 1388553432 /nfs/dbraw/zinc/55/34/32/1388553432.db2.gz JTCZAAPXYUVSOB-JSGCOSHPSA-N 1 0 328.412 3.451 20 10 EGCDRO C[N@@H+](Cc1cc(Br)c(F)cc1[O-])C[C@H]1CCCCO1 ZINC001144299598 1378712398 /nfs/dbraw/zinc/71/23/98/1378712398.db2.gz BRADGHUIQVLKEG-LLVKDONJSA-N 1 0 332.213 3.295 20 10 EGCDRO C[N@@H+](Cc1cc(Br)c(F)cc1[O-])CC1CCOCC1 ZINC001144299505 1378713222 /nfs/dbraw/zinc/71/32/22/1378713222.db2.gz YSLXXTWNJFBOKC-UHFFFAOYSA-N 1 0 332.213 3.152 20 10 EGCDRO CCC[N@H+](CCC[NH+](C)C)Cc1cc(Br)c(F)cc1[O-] ZINC001144307596 1378715342 /nfs/dbraw/zinc/71/53/42/1378715342.db2.gz BDQCUCYLHHEVGZ-UHFFFAOYSA-N 1 0 347.272 3.458 20 10 EGCDRO C[N@H+](Cc1ccc(Br)cc1)Cc1c(O)cc(O)cc1O ZINC001144509191 1378738835 /nfs/dbraw/zinc/73/88/35/1378738835.db2.gz OLXLSDVBMWOSFG-UHFFFAOYSA-N 1 0 338.201 3.198 20 10 EGCDRO C[C@H](C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC1CC1 ZINC001146663335 1378893188 /nfs/dbraw/zinc/89/31/88/1378893188.db2.gz LBZSRQALMIKNKF-OLZOCXBDSA-N 1 0 345.447 3.136 20 10 EGCDRO CC[NH+]1CCC(CC2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC001148219058 1379134993 /nfs/dbraw/zinc/13/49/93/1379134993.db2.gz TYPCKLLVHOBKHO-UHFFFAOYSA-N 1 0 346.471 3.072 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(C(F)F)c2)cc1C ZINC001148572622 1379214714 /nfs/dbraw/zinc/21/47/14/1379214714.db2.gz GTWRWQIXYNUOLR-UHFFFAOYSA-N 1 0 348.393 3.461 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)c(F)c(C)c2)cc1C ZINC001151345725 1379702430 /nfs/dbraw/zinc/70/24/30/1379702430.db2.gz JDTWDSRWLJTCJW-UHFFFAOYSA-N 1 0 344.430 3.279 20 10 EGCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CCCC2CCCC2)cc1 ZINC001153047352 1380013520 /nfs/dbraw/zinc/01/35/20/1380013520.db2.gz BTLHRMNOADKOJI-UHFFFAOYSA-N 1 0 345.447 3.139 20 10 EGCDRO CCc1nccc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155640761 1380477628 /nfs/dbraw/zinc/47/76/28/1380477628.db2.gz LGSOKZOKJCDBLK-XKGFGPFHSA-N 1 0 338.499 3.438 20 10 EGCDRO COc1ccc(Cl)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156658596 1380606040 /nfs/dbraw/zinc/60/60/40/1380606040.db2.gz WXZFJJRFPMELQT-UHFFFAOYSA-N 1 0 346.862 3.108 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cccc(F)c2C)cc1C ZINC001158519817 1381278882 /nfs/dbraw/zinc/27/88/82/1381278882.db2.gz YSYBASCDWBHMOV-UHFFFAOYSA-N 1 0 344.430 3.361 20 10 EGCDRO Cc1cc(C)c(CNc2cccc(OCC[NH+]3CCCC3)n2)c(O)c1 ZINC001160810635 1382204852 /nfs/dbraw/zinc/20/48/52/1382204852.db2.gz UFKHGKLSOOHQIB-UHFFFAOYSA-N 1 0 341.455 3.491 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001328659453 1388799786 /nfs/dbraw/zinc/79/97/86/1388799786.db2.gz KIVZZRNOGBGHDN-KRWDZBQOSA-N 1 0 326.488 3.249 20 10 EGCDRO OC[C@@]1([NH2+]Cc2c(O)cccc2Br)CCc2ccccc21 ZINC001328688916 1388808741 /nfs/dbraw/zinc/80/87/41/1388808741.db2.gz MOAJOGPVDHACHG-KRWDZBQOSA-N 1 0 348.240 3.078 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001163321631 1383021655 /nfs/dbraw/zinc/02/16/55/1383021655.db2.gz DGDGCDHAQLDVNB-AZUAARDMSA-N 1 0 325.456 3.417 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3CC34CC4)CC2)cc1C ZINC001167326492 1383598693 /nfs/dbraw/zinc/59/86/93/1383598693.db2.gz WFOMRFHSDJOLCX-QGZVFWFLSA-N 1 0 342.483 3.180 20 10 EGCDRO Cc1c(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)nnc1Cl ZINC001167422968 1383629864 /nfs/dbraw/zinc/62/98/64/1383629864.db2.gz ISPJLNPMSLFMBQ-UHFFFAOYSA-N 1 0 345.878 3.111 20 10 EGCDRO C[C@H]1C[C@@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CCO1 ZINC001168142892 1383826282 /nfs/dbraw/zinc/82/62/82/1383826282.db2.gz FXIFFNQWTLUQOJ-ZFWWWQNUSA-N 1 0 344.377 3.275 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)cc1C ZINC001168830461 1384023643 /nfs/dbraw/zinc/02/36/43/1384023643.db2.gz RPPSZEFSNFNHPB-GDBMZVCRSA-N 1 0 334.460 3.491 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CSC)cc1C ZINC001168994195 1384081694 /nfs/dbraw/zinc/08/16/94/1384081694.db2.gz SIWOWYIVODQDEQ-OAHLLOKOSA-N 1 0 338.517 3.131 20 10 EGCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1N(C)C(C)(C)C[NH3+])N=[N+]=[N-] ZINC001170052661 1384225453 /nfs/dbraw/zinc/22/54/53/1384225453.db2.gz KELJYNNMSLEJIC-ZROIWOOFSA-N 1 0 346.435 3.086 20 10 EGCDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1ccc(O)c(O)c1)CC2 ZINC001171297375 1384488147 /nfs/dbraw/zinc/48/81/47/1384488147.db2.gz FZNOWKPJBOUHPB-GFCCVEGCSA-N 1 0 333.815 3.407 20 10 EGCDRO CCC(CC)(CCO)C[NH2+]Cc1c(O)cccc1Br ZINC001329967438 1389274685 /nfs/dbraw/zinc/27/46/85/1389274685.db2.gz SYABNYJRWZNFSS-UHFFFAOYSA-N 1 0 330.266 3.433 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172008604 1384709300 /nfs/dbraw/zinc/70/93/00/1384709300.db2.gz RMXCLSIRXUXYPW-VBKZILBWSA-N 1 0 342.483 3.375 20 10 EGCDRO c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CS2 ZINC001172186719 1384742761 /nfs/dbraw/zinc/74/27/61/1384742761.db2.gz BQGYMXWUUXBRAO-GOSISDBHSA-N 1 0 340.492 3.330 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)cc1C ZINC001172663960 1384829426 /nfs/dbraw/zinc/82/94/26/1384829426.db2.gz IRTWVYKYVFLJEO-LJQANCHMSA-N 1 0 338.451 3.284 20 10 EGCDRO COC(=O)CCCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001173455157 1384973039 /nfs/dbraw/zinc/97/30/39/1384973039.db2.gz MYFSUHZMZALLKJ-QGZVFWFLSA-N 1 0 348.487 3.077 20 10 EGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)CCCCC(=O)OC)CC2)cc1 ZINC001173459117 1384975154 /nfs/dbraw/zinc/97/51/54/1384975154.db2.gz MERSPQSGECLMQH-QGZVFWFLSA-N 1 0 348.487 3.329 20 10 EGCDRO FC(F)(F)CN1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001173658979 1384997984 /nfs/dbraw/zinc/99/79/84/1384997984.db2.gz UDDZJMBPUIJVIE-UHFFFAOYSA-N 1 0 341.421 3.403 20 10 EGCDRO COC(=O)c1ccc(C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC001173712583 1385007205 /nfs/dbraw/zinc/00/72/05/1385007205.db2.gz BQNPNXJHOKKQKK-HNNXBMFYSA-N 1 0 326.440 3.260 20 10 EGCDRO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)c1O ZINC001329167461 1388998270 /nfs/dbraw/zinc/99/82/70/1388998270.db2.gz GMXWNWUQWMWXTP-IBGZPJMESA-N 1 0 338.451 3.349 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC001318371800 1385657592 /nfs/dbraw/zinc/65/75/92/1385657592.db2.gz MNTKAVAMYSWPGP-OAHLLOKOSA-N 1 0 345.874 3.429 20 10 EGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1C ZINC001338751765 1389751750 /nfs/dbraw/zinc/75/17/50/1389751750.db2.gz QPIGELJEFPGZCO-JTDSTZFVSA-N 1 0 333.495 3.492 20 10 EGCDRO Cc1c[nH+]c2ccccc2c1NCc1ccc(N2CCOCC2)cc1 ZINC001339797318 1390150600 /nfs/dbraw/zinc/15/06/00/1390150600.db2.gz SCUMECNMVPCUGE-UHFFFAOYSA-N 1 0 333.435 3.414 20 10 EGCDRO Cc1csc(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC001333133939 1390254451 /nfs/dbraw/zinc/25/44/51/1390254451.db2.gz PMANJVVQOGBICZ-UHFFFAOYSA-N 1 0 345.512 3.135 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1Cl ZINC001333906991 1390435159 /nfs/dbraw/zinc/43/51/59/1390435159.db2.gz DLKYHNFDRBYFEG-CZUORRHYSA-N 1 0 335.835 3.097 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cc1 ZINC001341835952 1390535253 /nfs/dbraw/zinc/53/52/53/1390535253.db2.gz DFXYPFLLSMLRIJ-IAGOWNOFSA-N 1 0 331.504 3.442 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCc1cn2c(n1)SCC2 ZINC001343416109 1390712588 /nfs/dbraw/zinc/71/25/88/1390712588.db2.gz XTUBAONYONECCU-OCCSQVGLSA-N 1 0 329.469 3.383 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCc1cn2c(n1)SCC2 ZINC001343416105 1390712613 /nfs/dbraw/zinc/71/26/13/1390712613.db2.gz XTUBAONYONECCU-GXTWGEPZSA-N 1 0 329.469 3.383 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)Cc1cccc(F)c1 ZINC001344068670 1390753614 /nfs/dbraw/zinc/75/36/14/1390753614.db2.gz FYBNTLMVJGIFEU-FQEVSTJZSA-N 1 0 328.431 3.119 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC3(F)F)cc2F)CC1 ZINC001344074414 1390754104 /nfs/dbraw/zinc/75/41/04/1390754104.db2.gz HQRZTHLITSHDRT-HNNXBMFYSA-N 1 0 341.421 3.103 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c(C(F)(F)F)c1 ZINC001344378050 1390787764 /nfs/dbraw/zinc/78/77/64/1390787764.db2.gz NGTBGHHEVKXOBO-INIZCTEOSA-N 1 0 328.378 3.118 20 10 EGCDRO CCOC(=O)COc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC001349633628 1391347062 /nfs/dbraw/zinc/34/70/62/1391347062.db2.gz RODBGUOMNYGZBW-CQSZACIVSA-N 1 0 329.396 3.185 20 10 EGCDRO CC[C@H](C)C[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001753845298 1440504185 /nfs/dbraw/zinc/50/41/85/1440504185.db2.gz JAMAEOAEONFGNZ-XJKSGUPXSA-N 1 0 347.463 3.239 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccoc2Cl)cc1C ZINC001754222954 1440552787 /nfs/dbraw/zinc/55/27/87/1440552787.db2.gz LNCLFPQAXLJMND-GFCCVEGCSA-N 1 0 336.819 3.158 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2oc(C)cc2C)cc1C ZINC001755582911 1440879738 /nfs/dbraw/zinc/87/97/38/1440879738.db2.gz ASTDSUIJPUJWSU-HNNXBMFYSA-N 1 0 344.455 3.464 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1C ZINC000054548677 214244891 /nfs/dbraw/zinc/24/48/91/214244891.db2.gz SKADNNWUQDZFER-UHFFFAOYSA-N 1 0 334.460 3.498 20 10 EGCDRO COc1ccccc1N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000003377815 210023088 /nfs/dbraw/zinc/02/30/88/210023088.db2.gz BWFJFDFSCPJWFL-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000164517052 226080379 /nfs/dbraw/zinc/08/03/79/226080379.db2.gz KAPVPBQICOONPH-GOEBONIOSA-N 1 0 333.476 3.413 20 10 EGCDRO CC1(O)CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183079110 455224675 /nfs/dbraw/zinc/22/46/75/455224675.db2.gz NQPZBFRXJQBVFQ-UHFFFAOYSA-N 1 0 327.424 3.318 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1OC ZINC000181128775 455292792 /nfs/dbraw/zinc/29/27/92/455292792.db2.gz ISHRMBMDWIZEKU-UHFFFAOYSA-N 1 0 346.427 3.272 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000130288870 454188334 /nfs/dbraw/zinc/18/83/34/454188334.db2.gz BYIFPULSLVIZRT-UHFFFAOYSA-N 1 0 347.846 3.162 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000119836305 454225246 /nfs/dbraw/zinc/22/52/46/454225246.db2.gz SOCCZBJFWBYGPA-KRWDZBQOSA-N 1 0 339.483 3.440 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2ccsc2)c1O ZINC000184709033 455433431 /nfs/dbraw/zinc/43/34/31/455433431.db2.gz SGGWUOGRIIXEGV-HNNXBMFYSA-N 1 0 327.833 3.113 20 10 EGCDRO C[C@@H](NCC[N@H+](C)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000133299264 454410389 /nfs/dbraw/zinc/41/03/89/454410389.db2.gz IQGQAUSNBQGPTJ-MRXNPFEDSA-N 1 0 349.494 3.187 20 10 EGCDRO c1cn(C[C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000092069746 454514703 /nfs/dbraw/zinc/51/47/03/454514703.db2.gz BWBWDJGODYJAKF-IBGZPJMESA-N 1 0 339.487 3.181 20 10 EGCDRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000134270037 454522531 /nfs/dbraw/zinc/52/25/31/454522531.db2.gz BGRPCMVBQPMBEQ-WBMJQRKESA-N 1 0 336.863 3.172 20 10 EGCDRO CC(C)C(=O)NCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000092103955 454523883 /nfs/dbraw/zinc/52/38/83/454523883.db2.gz NJAMCNQZQSNBOX-UHFFFAOYSA-N 1 0 326.440 3.263 20 10 EGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092145459 454527723 /nfs/dbraw/zinc/52/77/23/454527723.db2.gz ARTFOFUUSHNYBY-UHFFFAOYSA-N 1 0 331.504 3.223 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000092149013 454529419 /nfs/dbraw/zinc/52/94/19/454529419.db2.gz MVANUQAORQQYKM-UHFFFAOYSA-N 1 0 343.496 3.162 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1O ZINC000093413312 454713351 /nfs/dbraw/zinc/71/33/51/454713351.db2.gz IGEKVIOUOMMZIB-MRXNPFEDSA-N 1 0 341.455 3.065 20 10 EGCDRO CCN(C[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1)CC(F)(F)F ZINC000093771160 454735323 /nfs/dbraw/zinc/73/53/23/454735323.db2.gz KNWABWAZAGKMNC-CQSZACIVSA-N 1 0 330.394 3.407 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000093841939 454740109 /nfs/dbraw/zinc/74/01/09/454740109.db2.gz JIKFYDJSEPASGV-FQEVSTJZSA-N 1 0 332.488 3.303 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000093865658 454741781 /nfs/dbraw/zinc/74/17/81/454741781.db2.gz LLZLBIMQCHBGDR-OAHLLOKOSA-N 1 0 349.228 3.203 20 10 EGCDRO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)Cc1ccccc1O ZINC000109772397 454835218 /nfs/dbraw/zinc/83/52/18/454835218.db2.gz FOPYVQNCNONBSG-CQSZACIVSA-N 1 0 330.403 3.010 20 10 EGCDRO CC(=O)c1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1 ZINC000109770206 454835982 /nfs/dbraw/zinc/83/59/82/454835982.db2.gz KMHUKDBNJTXQQF-CYBMUJFWSA-N 1 0 326.396 3.054 20 10 EGCDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)ncn1 ZINC000154220221 454875387 /nfs/dbraw/zinc/87/53/87/454875387.db2.gz LMGFKIRTEPIORW-AWEZNQCLSA-N 1 0 326.444 3.064 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000113323683 454922741 /nfs/dbraw/zinc/92/27/41/454922741.db2.gz ANJHWWYAZIXPOA-UHFFFAOYSA-N 1 0 331.847 3.195 20 10 EGCDRO Cc1noc(C)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359206 454924217 /nfs/dbraw/zinc/92/42/17/454924217.db2.gz SBAICHUMVXFSED-INIZCTEOSA-N 1 0 349.862 3.405 20 10 EGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000168255333 454926154 /nfs/dbraw/zinc/92/61/54/454926154.db2.gz KLXXBKYIIXXCNI-GOSISDBHSA-N 1 0 345.531 3.438 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000185056462 455493190 /nfs/dbraw/zinc/49/31/90/455493190.db2.gz DOFGGIIUTNYLCR-CQSZACIVSA-N 1 0 332.419 3.323 20 10 EGCDRO COc1cccc(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)c1O ZINC000191511076 455492528 /nfs/dbraw/zinc/49/25/28/455492528.db2.gz OLIIRJVSVMADCA-UHFFFAOYSA-N 1 0 329.396 3.280 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000184979586 455480693 /nfs/dbraw/zinc/48/06/93/455480693.db2.gz PJTBKWJJFNYDCL-AWEZNQCLSA-N 1 0 328.412 3.249 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1O ZINC000155200695 454974018 /nfs/dbraw/zinc/97/40/18/454974018.db2.gz KJIOCWLTYWXRDM-LJQANCHMSA-N 1 0 325.456 3.493 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000151375689 454976572 /nfs/dbraw/zinc/97/65/72/454976572.db2.gz MKNPIUHSGWRTAQ-MAUKXSAKSA-N 1 0 337.485 3.325 20 10 EGCDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000179579791 455059753 /nfs/dbraw/zinc/05/97/53/455059753.db2.gz XNVYZVXQWBMJKF-UHFFFAOYSA-N 1 0 328.368 3.344 20 10 EGCDRO Cc1cccc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000179664798 455065019 /nfs/dbraw/zinc/06/50/19/455065019.db2.gz MFWKGKBIGXTRQI-CQSZACIVSA-N 1 0 333.453 3.297 20 10 EGCDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)nc1 ZINC000179729952 455071818 /nfs/dbraw/zinc/07/18/18/455071818.db2.gz LDHNACLLWVSHKV-QGZVFWFLSA-N 1 0 339.439 3.255 20 10 EGCDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](CC)c3ccccc3O)C2)ncn1 ZINC000156548114 455131493 /nfs/dbraw/zinc/13/14/93/455131493.db2.gz JBOWGAJYUAYZDR-WMZOPIPTSA-N 1 0 340.471 3.454 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnccn1 ZINC000130075105 455141421 /nfs/dbraw/zinc/14/14/21/455141421.db2.gz RDOMTFKLZRBABU-UONOGXRCSA-N 1 0 348.397 3.398 20 10 EGCDRO CC[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccccc1O ZINC000156662490 455142407 /nfs/dbraw/zinc/14/24/07/455142407.db2.gz PBFZJAWZFUFOID-INIZCTEOSA-N 1 0 340.423 3.249 20 10 EGCDRO COc1cccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1O ZINC000237363397 455176871 /nfs/dbraw/zinc/17/68/71/455176871.db2.gz JCKFOGAADABNJI-UHFFFAOYSA-N 1 0 331.387 3.335 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c1 ZINC000237360703 455176890 /nfs/dbraw/zinc/17/68/90/455176890.db2.gz AFFVFAGWBKYUAN-LJQANCHMSA-N 1 0 326.440 3.328 20 10 EGCDRO COc1cc(N2CC[NH+](CC3CCCC3)CC2)cc(OC)c1OC ZINC000183697706 455322182 /nfs/dbraw/zinc/32/21/82/455322182.db2.gz UODWFMDNWOHVCF-UHFFFAOYSA-N 1 0 334.460 3.025 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000174621654 455407266 /nfs/dbraw/zinc/40/72/66/455407266.db2.gz XAERRLSAKFPRSF-CQSZACIVSA-N 1 0 326.387 3.025 20 10 EGCDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)N2CCOCC2)o1 ZINC000184909861 455470524 /nfs/dbraw/zinc/47/05/24/455470524.db2.gz MGHAOOIMJAOAFF-YOEHRIQHSA-N 1 0 348.418 3.157 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000184984145 455481643 /nfs/dbraw/zinc/48/16/43/455481643.db2.gz MAGQJAYWOFZOJD-AWEZNQCLSA-N 1 0 327.428 3.247 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000185063609 455494778 /nfs/dbraw/zinc/49/47/78/455494778.db2.gz ZJCHXNGZPFBHMO-OAHLLOKOSA-N 1 0 342.439 3.018 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000185079109 455497524 /nfs/dbraw/zinc/49/75/24/455497524.db2.gz PPVYBUSNXUFKRP-CYBMUJFWSA-N 1 0 332.831 3.355 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000185323188 455540672 /nfs/dbraw/zinc/54/06/72/455540672.db2.gz LOEKVLBMEWINJC-ZDUSSCGKSA-N 1 0 329.396 3.413 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185374859 455550539 /nfs/dbraw/zinc/55/05/39/455550539.db2.gz YSKZPKNLUJXJRN-QWHCGFSZSA-N 1 0 337.366 3.069 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000185446482 455558893 /nfs/dbraw/zinc/55/88/93/455558893.db2.gz CDDJHRAUMGIGDT-LBPRGKRZSA-N 1 0 348.830 3.135 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)ccc1O ZINC000185464962 455562316 /nfs/dbraw/zinc/56/23/16/455562316.db2.gz JCWOVQAOJUIJLA-SWLSCSKDSA-N 1 0 328.387 3.267 20 10 EGCDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000267901615 455562505 /nfs/dbraw/zinc/56/25/05/455562505.db2.gz LKTZXPPGURNJLX-DNVCBOLYSA-N 1 0 327.424 3.343 20 10 EGCDRO Cc1cc(Br)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277551914 455596179 /nfs/dbraw/zinc/59/61/79/455596179.db2.gz RBKBQHOMQLGSFV-HNNXBMFYSA-N 1 0 341.293 3.379 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1C ZINC000185689861 455598758 /nfs/dbraw/zinc/59/87/58/455598758.db2.gz PMEVUHNCOSCRDM-UHFFFAOYSA-N 1 0 326.440 3.324 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000271374305 455614059 /nfs/dbraw/zinc/61/40/59/455614059.db2.gz HFEJVWLVOKQUAT-HNNXBMFYSA-N 1 0 338.467 3.112 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000271412268 455627699 /nfs/dbraw/zinc/62/76/99/455627699.db2.gz XVTNDVSIUWINDX-LBPRGKRZSA-N 1 0 332.835 3.421 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1N(C)C ZINC000271498265 455661198 /nfs/dbraw/zinc/66/11/98/455661198.db2.gz MWENXISHEIRPNV-OAHLLOKOSA-N 1 0 337.467 3.431 20 10 EGCDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2)ncn1 ZINC000186023840 455678118 /nfs/dbraw/zinc/67/81/18/455678118.db2.gz WEYPUTSZBIZLQP-BBRMVZONSA-N 1 0 344.434 3.203 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271572031 455688032 /nfs/dbraw/zinc/68/80/32/455688032.db2.gz YZUAYUIYKIDKCL-WBVHZDCISA-N 1 0 348.462 3.415 20 10 EGCDRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1=O ZINC000186102231 455694037 /nfs/dbraw/zinc/69/40/37/455694037.db2.gz VSKDFPKXQKFRRK-GOEBONIOSA-N 1 0 340.423 3.165 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190670 455712678 /nfs/dbraw/zinc/71/26/78/455712678.db2.gz WXAIAFKMVOBGHB-FUHWJXTLSA-N 1 0 338.451 3.400 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1 ZINC000186526057 455787100 /nfs/dbraw/zinc/78/71/00/455787100.db2.gz QLAZMVIZIBVUCR-ZDUSSCGKSA-N 1 0 342.395 3.208 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2ccco2)c1O ZINC000271869295 455793280 /nfs/dbraw/zinc/79/32/80/455793280.db2.gz WZQULRAPXCDDQD-HNNXBMFYSA-N 1 0 340.217 3.053 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000271902594 455797772 /nfs/dbraw/zinc/79/77/72/455797772.db2.gz ZPBJJGCUMYPPLJ-SMDDNHRTSA-N 1 0 328.250 3.198 20 10 EGCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000293803586 455797900 /nfs/dbraw/zinc/79/79/00/455797900.db2.gz NOZWNKPQMBSCIQ-LJQANCHMSA-N 1 0 328.456 3.283 20 10 EGCDRO C[C@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C(=O)NCCF ZINC000294329488 455811295 /nfs/dbraw/zinc/81/12/95/455811295.db2.gz OWDVFXGNVQFKTB-YJBOKZPZSA-N 1 0 344.430 3.130 20 10 EGCDRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000294360223 455812820 /nfs/dbraw/zinc/81/28/20/455812820.db2.gz QIOVDJPJWXKMJO-UQPPLGOBSA-N 1 0 338.517 3.007 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](c2ccccc2)O1 ZINC000253358427 455835193 /nfs/dbraw/zinc/83/51/93/455835193.db2.gz OVNMLAHFHVECFW-YJYMSZOUSA-N 1 0 327.380 3.083 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H]3CCCC[C@H]3O)cc2)CC1 ZINC000295070033 455837635 /nfs/dbraw/zinc/83/76/35/455837635.db2.gz WFTDSXCMDPNRPZ-WIYYLYMNSA-N 1 0 346.515 3.285 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000278475635 455837803 /nfs/dbraw/zinc/83/78/03/455837803.db2.gz OHJRLJMKIBCXGH-AEFFLSMTSA-N 1 0 341.503 3.196 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@]3(C)CCO[C@@H]3C3CC3)cc2)CC1 ZINC000295070056 455838117 /nfs/dbraw/zinc/83/81/17/455838117.db2.gz WGTWQGRNWZNQQJ-NHCUHLMSSA-N 1 0 344.499 3.349 20 10 EGCDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000272112584 455850163 /nfs/dbraw/zinc/85/01/63/455850163.db2.gz XZCZJQLVJAQAAL-BBATYDOGSA-N 1 0 333.359 3.126 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c(=O)n1C ZINC000279522400 455867122 /nfs/dbraw/zinc/86/71/22/455867122.db2.gz OKINDPYXGQNQEZ-AWEZNQCLSA-N 1 0 326.440 3.129 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)cc2)CC1 ZINC000296031273 455867093 /nfs/dbraw/zinc/86/70/93/455867093.db2.gz PEIBGVVSPXZZCU-IIBYNOLFSA-N 1 0 344.499 3.301 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)O[C@H](C4CC4)C3)cc2)CC1 ZINC000296031271 455867404 /nfs/dbraw/zinc/86/74/04/455867404.db2.gz PEIBGVVSPXZZCU-IERDGZPVSA-N 1 0 344.499 3.301 20 10 EGCDRO CC[C@H](C)[NH+]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296088443 455868047 /nfs/dbraw/zinc/86/80/47/455868047.db2.gz PPLKKRCFSVUQLL-SFHVURJKSA-N 1 0 345.531 3.218 20 10 EGCDRO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[NH2+]1 ZINC000279934073 455877539 /nfs/dbraw/zinc/87/75/39/455877539.db2.gz QDLUFDNJIKXLEE-WMZOPIPTSA-N 1 0 329.488 3.023 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(C)cc1O ZINC000279945321 455878206 /nfs/dbraw/zinc/87/82/06/455878206.db2.gz BLEFWRJFNBRNNN-KRWDZBQOSA-N 1 0 348.468 3.313 20 10 EGCDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187230914 455884500 /nfs/dbraw/zinc/88/45/00/455884500.db2.gz HIKVDNAIJINYGZ-GBIKHYSHSA-N 1 0 348.306 3.226 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000270208054 455902163 /nfs/dbraw/zinc/90/21/63/455902163.db2.gz ZTZCXMFNPTWWSD-JCQPUDPBSA-N 1 0 333.453 3.379 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(C)cc1O ZINC000280247373 455926929 /nfs/dbraw/zinc/92/69/29/455926929.db2.gz WITMWGLHRQVNQZ-KRWDZBQOSA-N 1 0 330.403 3.310 20 10 EGCDRO Cc1ncsc1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296464353 455945707 /nfs/dbraw/zinc/94/57/07/455945707.db2.gz NKYSDBYUNFRFMN-CYBMUJFWSA-N 1 0 349.475 3.321 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1OC ZINC000272422516 455946226 /nfs/dbraw/zinc/94/62/26/455946226.db2.gz FAKLTGKJXLFUJY-OAHLLOKOSA-N 1 0 343.423 3.310 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)nc1 ZINC000270493463 455968443 /nfs/dbraw/zinc/96/84/43/455968443.db2.gz MJSSRJUWGQNPOA-CQSZACIVSA-N 1 0 331.847 3.422 20 10 EGCDRO COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296713899 456016987 /nfs/dbraw/zinc/01/69/87/456016987.db2.gz IIDQXLUOXICNNF-MRXNPFEDSA-N 1 0 326.396 3.390 20 10 EGCDRO C[S@@](=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000280683820 456031186 /nfs/dbraw/zinc/03/11/86/456031186.db2.gz QYNHFECGMPCCJE-HSZRJFAPSA-N 1 0 329.465 3.450 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)[C@H]1CCNC1=O ZINC000297039198 456099473 /nfs/dbraw/zinc/09/94/73/456099473.db2.gz XVHOZFWSQOHUNM-SFHVURJKSA-N 1 0 343.496 3.095 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](CCCOC)Cc2ccncc2)c1 ZINC000289536162 456128562 /nfs/dbraw/zinc/12/85/62/456128562.db2.gz WKWSLXMFPVASJR-UHFFFAOYSA-N 1 0 330.428 3.225 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c1O ZINC000289871835 456162554 /nfs/dbraw/zinc/16/25/54/456162554.db2.gz RFECWXAPMWTAFE-UHFFFAOYSA-N 1 0 341.455 3.384 20 10 EGCDRO CCCCCC(=O)NC1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000271196525 456166451 /nfs/dbraw/zinc/16/64/51/456166451.db2.gz UVCPMWHZYIGXJK-UHFFFAOYSA-N 1 0 348.487 3.452 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)O1 ZINC000297361085 456198449 /nfs/dbraw/zinc/19/84/49/456198449.db2.gz CASNJHHRNVONFK-APWZRJJASA-N 1 0 332.488 3.301 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncc(F)cn2)C1 ZINC000301764051 456208918 /nfs/dbraw/zinc/20/89/18/456208918.db2.gz HEKCIROYZPASOS-CQSZACIVSA-N 1 0 336.798 3.051 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC1=CCCOC1 ZINC000290074173 456233623 /nfs/dbraw/zinc/23/36/23/456233623.db2.gz GASZZLRJBGDVFQ-UHFFFAOYSA-N 1 0 325.408 3.408 20 10 EGCDRO Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c(O)c1 ZINC000273525963 456236323 /nfs/dbraw/zinc/23/63/23/456236323.db2.gz VFNZLXOHDBKIFJ-NVXWUHKLSA-N 1 0 340.471 3.409 20 10 EGCDRO C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1cc(F)ccc1O ZINC000273514689 456236614 /nfs/dbraw/zinc/23/66/14/456236614.db2.gz SFLWKUQUQLKPMN-XJKSGUPXSA-N 1 0 344.434 3.240 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H](OCC)[C@]23CCCO3)ccc1OC ZINC000273535533 456237774 /nfs/dbraw/zinc/23/77/74/456237774.db2.gz ALENFDVUMVKLOE-AABGKKOBSA-N 1 0 349.471 3.048 20 10 EGCDRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc2c(cc1O)CCCC2 ZINC000274425230 456259146 /nfs/dbraw/zinc/25/91/46/456259146.db2.gz UUBATUOJMBKVGL-ZDUSSCGKSA-N 1 0 343.496 3.467 20 10 EGCDRO CC(C)c1nc(N[C@H](C)c2ccc(N(C)C)cc2)nc(N(C)C)n1 ZINC000302375078 456337739 /nfs/dbraw/zinc/33/77/39/456337739.db2.gz HEBZOSJADZNYKG-CYBMUJFWSA-N 1 0 328.464 3.300 20 10 EGCDRO CCOC(CC[NH2+]Cc1cc(Br)ccc1O)OCC ZINC000276077369 456385344 /nfs/dbraw/zinc/38/53/44/456385344.db2.gz FOVCZPPEDXPBGT-UHFFFAOYSA-N 1 0 332.238 3.034 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1O ZINC000291006862 456494175 /nfs/dbraw/zinc/49/41/75/456494175.db2.gz DGCJZAMJFKUNAP-AWEZNQCLSA-N 1 0 330.403 3.156 20 10 EGCDRO CC1CC[NH+](CCCCNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000298663818 456512308 /nfs/dbraw/zinc/51/23/08/456512308.db2.gz 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CC(C)[C@@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742380366 576776680 /nfs/dbraw/zinc/77/66/80/576776680.db2.gz HJLMXOANIPXDBK-MRXNPFEDSA-N 1 0 335.448 3.082 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cccc(N(C)C)c3)CC2)cc1 ZINC000743843234 576816526 /nfs/dbraw/zinc/81/65/26/576816526.db2.gz RXVPOXSRJFFBGX-UHFFFAOYSA-N 1 0 339.483 3.474 20 10 EGCDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000743854183 576817028 /nfs/dbraw/zinc/81/70/28/576817028.db2.gz OEZHQYIJTYICLE-POAQFYNOSA-N 1 0 343.515 3.364 20 10 EGCDRO CCC[C@@]1(C)CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000744429088 576827968 /nfs/dbraw/zinc/82/79/68/576827968.db2.gz QBKFVHRYPNXCSR-FQEVSTJZSA-N 1 0 331.504 3.271 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413841 607012548 /nfs/dbraw/zinc/01/25/48/607012548.db2.gz WFZYDVOZWGXOKC-KBPBESRZSA-N 1 0 336.443 3.345 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CCCc1nccs1 ZINC000691488314 1298133375 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CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(C)cc1O ZINC000794805310 1309599071 /nfs/dbraw/zinc/59/90/71/1309599071.db2.gz WWNICRSGMBCEPO-CRAIPNDOSA-N 1 0 333.403 3.320 20 10 EGCDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000068880511 1292221230 /nfs/dbraw/zinc/22/12/30/1292221230.db2.gz QBBDZIZQNVIQEY-HNNXBMFYSA-N 1 0 327.380 3.467 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccccc1O)CC(C)C ZINC000071925784 1292271432 /nfs/dbraw/zinc/27/14/32/1292271432.db2.gz RXGAIVUNNCSLNI-KRWDZBQOSA-N 1 0 335.492 3.290 20 10 EGCDRO C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000074217412 1292341749 /nfs/dbraw/zinc/34/17/49/1292341749.db2.gz GRGYCDYNHWLBLF-QGZVFWFLSA-N 1 0 329.488 3.168 20 10 EGCDRO [NH3+][C@@H](CCC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1 ZINC000830598005 1292739484 /nfs/dbraw/zinc/73/94/84/1292739484.db2.gz YXKSGFSVYRREIH-IBGZPJMESA-N 1 0 338.451 3.367 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3nc(C)c(C)s3)CC2)cc1 ZINC000088579229 1292753107 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CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000832266394 1292978437 /nfs/dbraw/zinc/97/84/37/1292978437.db2.gz FENDLAPTVSYCNJ-ZCDKGFTFSA-N 1 0 343.515 3.475 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000832267358 1292979812 /nfs/dbraw/zinc/97/98/12/1292979812.db2.gz QXEAGXOOBOBASN-IRXDYDNUSA-N 1 0 343.496 3.050 20 10 EGCDRO Cc1ccc2oc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc2c1 ZINC000832279583 1292980955 /nfs/dbraw/zinc/98/09/55/1292980955.db2.gz KFTFMFMJIYFKFR-QGZVFWFLSA-N 1 0 337.423 3.237 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000111236261 1293101759 /nfs/dbraw/zinc/10/17/59/1293101759.db2.gz ONDAEWMTTQBXPB-LJQANCHMSA-N 1 0 337.419 3.417 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000834518484 1293108928 /nfs/dbraw/zinc/10/89/28/1293108928.db2.gz JJERGLFJRJYCNQ-QZTJIDSGSA-N 1 0 332.513 3.287 20 10 EGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000834518486 1293109068 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20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000834898596 1293169141 /nfs/dbraw/zinc/16/91/41/1293169141.db2.gz MOIORQGZUAXONF-QRFRQXIXSA-N 1 0 342.487 3.447 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(C)cc1O ZINC000834910217 1293173981 /nfs/dbraw/zinc/17/39/81/1293173981.db2.gz CLUSBGPKUZKNDH-UWWQBHOKSA-N 1 0 329.444 3.395 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c2c1c(F)ccc2O ZINC000834910276 1293174121 /nfs/dbraw/zinc/17/41/21/1293174121.db2.gz CSDAVZZBGVBEOB-DSPQJCBJSA-N 1 0 345.418 3.323 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)CC2 ZINC000834911955 1293175355 /nfs/dbraw/zinc/17/53/55/1293175355.db2.gz VEDOZIUJTLYBEC-GDBMZVCRSA-N 1 0 348.240 3.465 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000835060538 1293195944 /nfs/dbraw/zinc/19/59/44/1293195944.db2.gz MLZMFKATOBAQKY-LJQANCHMSA-N 1 0 343.496 3.143 20 10 EGCDRO CCOCc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000119552752 1293276861 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CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1 ZINC000152543767 1293974114 /nfs/dbraw/zinc/97/41/14/1293974114.db2.gz OXOOPSBSSWAJFL-BEFAXECRSA-N 1 0 346.446 3.372 20 10 EGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)CN1CCOCC1 ZINC000153100385 1293998596 /nfs/dbraw/zinc/99/85/96/1293998596.db2.gz FNTODIINZDIXRQ-RTBURBONSA-N 1 0 345.531 3.296 20 10 EGCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000155326318 1294092393 /nfs/dbraw/zinc/09/23/93/1294092393.db2.gz WCQGDKNZQNRBGS-HOTGVXAUSA-N 1 0 328.460 3.151 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000155339237 1294093634 /nfs/dbraw/zinc/09/36/34/1294093634.db2.gz CSZUZSCKQNXYJE-GJZGRUSLSA-N 1 0 329.419 3.469 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155996163 1294122530 /nfs/dbraw/zinc/12/25/30/1294122530.db2.gz KTZFMQDFQYKGIT-QGZVFWFLSA-N 1 0 349.494 3.045 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000159956166 1294252712 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/nfs/dbraw/zinc/30/13/23/1295301323.db2.gz BLYHLLBUBCJWQR-AWEZNQCLSA-N 1 0 329.396 3.103 20 10 EGCDRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc2ccccc2c1O ZINC000186185310 1295310780 /nfs/dbraw/zinc/31/07/80/1295310780.db2.gz DAFHASBMLRXFRD-ZDUSSCGKSA-N 1 0 333.453 3.021 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)c1 ZINC000186376084 1295320842 /nfs/dbraw/zinc/32/08/42/1295320842.db2.gz KXSZEAQOVLWQLL-XLMXBGDPSA-N 1 0 335.444 3.373 20 10 EGCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000186753569 1295347510 /nfs/dbraw/zinc/34/75/10/1295347510.db2.gz YXONZQMXTLAXBP-HUUCEWRRSA-N 1 0 333.476 3.270 20 10 EGCDRO CCOCCOCC[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000189234743 1295509093 /nfs/dbraw/zinc/50/90/93/1295509093.db2.gz VNKCQPUTADORAJ-UHFFFAOYSA-N 1 0 333.428 3.039 20 10 EGCDRO O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC[C@H](C(F)(F)F)C1 ZINC000189626360 1295535559 /nfs/dbraw/zinc/53/55/59/1295535559.db2.gz WORQFYGHHDKWRA-HOCLYGCPSA-N 1 0 329.362 3.195 20 10 EGCDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000192975627 1295823037 /nfs/dbraw/zinc/82/30/37/1295823037.db2.gz NTEFILDMWLCVAP-UHFFFAOYSA-N 1 0 344.411 3.071 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[NH2+]CC1CC1 ZINC000870857660 1296116983 /nfs/dbraw/zinc/11/69/83/1296116983.db2.gz YBICEVIDZRECOR-UHFFFAOYSA-N 1 0 329.488 3.025 20 10 EGCDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1ccc(N)cc1 ZINC000236876382 1296209781 /nfs/dbraw/zinc/20/97/81/1296209781.db2.gz CYGLWDXWDHOGNM-UHFFFAOYSA-N 1 0 341.455 3.171 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237082118 1296219006 /nfs/dbraw/zinc/21/90/06/1296219006.db2.gz HLFXDTYXGPTZNN-LJQANCHMSA-N 1 0 325.456 3.157 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)c1O ZINC000237415857 1296241696 /nfs/dbraw/zinc/24/16/96/1296241696.db2.gz OBPRBWODHSLHJA-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000249869357 1296453812 /nfs/dbraw/zinc/45/38/12/1296453812.db2.gz JCXDHVXBUGWSIT-ZHALLVOQSA-N 1 0 332.488 3.083 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccc(N2CCOCC2)cc1 ZINC000305674055 1297021747 /nfs/dbraw/zinc/02/17/47/1297021747.db2.gz YOECRAGEJVYVQV-IRXDYDNUSA-N 1 0 340.467 3.427 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000310388744 1297095717 /nfs/dbraw/zinc/09/57/17/1297095717.db2.gz RCHKKKRTWHCKCX-KXBFYZLASA-N 1 0 326.440 3.153 20 10 EGCDRO CCOC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC000324029182 1297206094 /nfs/dbraw/zinc/20/60/94/1297206094.db2.gz OGLFCQIYFPFBRL-UKRRQHHQSA-N 1 0 332.444 3.459 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000383740959 1297574769 /nfs/dbraw/zinc/57/47/69/1297574769.db2.gz CEYZBSATAYCKLY-HUUCEWRRSA-N 1 0 332.444 3.272 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1cc(Br)ccc1O ZINC000394098896 1297675469 /nfs/dbraw/zinc/67/54/69/1297675469.db2.gz XZRCAXGHOREOLW-RISCZKNCSA-N 1 0 330.266 3.460 20 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/nfs/dbraw/zinc/22/65/31/1298226531.db2.gz KQFLIRYSBWVWMC-UHFFFAOYSA-N 1 0 327.266 3.071 20 10 EGCDRO CO[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)C12CCC2 ZINC000713460020 1298269126 /nfs/dbraw/zinc/26/91/26/1298269126.db2.gz OVFSJTYANKZURT-KBPBESRZSA-N 1 0 326.234 3.202 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000716178738 1298293954 /nfs/dbraw/zinc/29/39/54/1298293954.db2.gz PQMMOGNVDZABDC-NVXWUHKLSA-N 1 0 326.440 3.326 20 10 EGCDRO C[C@@H](CC[NH+](C)C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849763 1298374357 /nfs/dbraw/zinc/37/43/57/1298374357.db2.gz XBBLTMNRRQXSTD-HNNXBMFYSA-N 1 0 334.464 3.015 20 10 EGCDRO O=C(C[NH2+]Cc1cc(Cl)ccc1O)Nc1ccc(Cl)cc1 ZINC000725849767 1298375066 /nfs/dbraw/zinc/37/50/66/1298375066.db2.gz RPVKLQHTYKRZNI-UHFFFAOYSA-N 1 0 325.195 3.427 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000725850323 1298376835 /nfs/dbraw/zinc/37/68/35/1298376835.db2.gz YZNMBZRFRGIVJA-OAHLLOKOSA-N 1 0 327.302 3.114 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000745840715 1298489664 /nfs/dbraw/zinc/48/96/64/1298489664.db2.gz UAJRXKYTDVKDDT-LJQANCHMSA-N 1 0 346.519 3.159 20 10 EGCDRO COCCC(C)(C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000747100232 1298726558 /nfs/dbraw/zinc/72/65/58/1298726558.db2.gz FFTUYBUJNZCCAA-UHFFFAOYSA-N 1 0 332.238 3.068 20 10 EGCDRO Cc1ccccc1C[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506666 1298798116 /nfs/dbraw/zinc/79/81/16/1298798116.db2.gz NLRSZRQCFDXVNL-OXQOHEQNSA-N 1 0 339.483 3.056 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1Cn1cccn1 ZINC000876616099 1298870207 /nfs/dbraw/zinc/87/02/07/1298870207.db2.gz SBXUNHOVIMFING-UHFFFAOYSA-N 1 0 337.423 3.278 20 10 EGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)on1 ZINC000876617074 1298871944 /nfs/dbraw/zinc/87/19/44/1298871944.db2.gz FKZHXMSWDBDZQV-IBGZPJMESA-N 1 0 341.455 3.281 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c(O)c1 ZINC000876622261 1298875313 /nfs/dbraw/zinc/87/53/13/1298875313.db2.gz SILSQYWLOXIUDK-UHFFFAOYSA-N 1 0 330.472 3.171 20 10 EGCDRO Cc1ncsc1C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876687078 1298921790 /nfs/dbraw/zinc/92/17/90/1298921790.db2.gz FJXAZJICZSDRCZ-UHFFFAOYSA-N 1 0 331.485 3.045 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C(C)(C)CO1 ZINC000876746138 1298955588 /nfs/dbraw/zinc/95/55/88/1298955588.db2.gz TVZKDBUUQRDHLO-UHFFFAOYSA-N 1 0 332.488 3.037 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCCC[C@@H]1C ZINC000876931821 1299072329 /nfs/dbraw/zinc/07/23/29/1299072329.db2.gz WGQUBCNWLDAXMJ-ROUUACIJSA-N 1 0 345.531 3.000 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000876928900 1299072426 /nfs/dbraw/zinc/07/24/26/1299072426.db2.gz QHAIGLACHSSAGP-UHFFFAOYSA-N 1 0 342.414 3.234 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CC3CCSCC3)cc2F)CC1 ZINC000876966585 1299092242 /nfs/dbraw/zinc/09/22/42/1299092242.db2.gz WUXUTKBBCFRSOX-UHFFFAOYSA-N 1 0 338.492 3.020 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000876990803 1299103742 /nfs/dbraw/zinc/10/37/42/1299103742.db2.gz MMYDYEXUKPBQJY-IBGZPJMESA-N 1 0 344.430 3.003 20 10 EGCDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000877024826 1299117430 /nfs/dbraw/zinc/11/74/30/1299117430.db2.gz PLMGFESTWGRTKG-HKUYNNGSSA-N 1 0 343.515 3.460 20 10 EGCDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877055199 1299134336 /nfs/dbraw/zinc/13/43/36/1299134336.db2.gz LAHAKPLLZKEIIF-UHFFFAOYSA-N 1 0 334.504 3.069 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCSC2)c1O ZINC000749110458 1299143179 /nfs/dbraw/zinc/14/31/79/1299143179.db2.gz HQJLIOSOQPOXNO-LLVKDONJSA-N 1 0 332.263 3.149 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000877081400 1299149249 /nfs/dbraw/zinc/14/92/49/1299149249.db2.gz AFYSLPOEXHRPII-UHFFFAOYSA-N 1 0 330.394 3.455 20 10 EGCDRO Cc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c(O)c1 ZINC000877094976 1299154200 /nfs/dbraw/zinc/15/42/00/1299154200.db2.gz OQDSJRWHPSNVSF-UHFFFAOYSA-N 1 0 340.471 3.238 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000749241329 1299174536 /nfs/dbraw/zinc/17/45/36/1299174536.db2.gz KYAKPRIALVYLQA-IBGZPJMESA-N 1 0 329.488 3.084 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000749543207 1299234472 /nfs/dbraw/zinc/23/44/72/1299234472.db2.gz LGKNBWZXJTXWBJ-CZUORRHYSA-N 1 0 330.453 3.094 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC000877409208 1299286764 /nfs/dbraw/zinc/28/67/64/1299286764.db2.gz ZKBQWFRCUBOKSW-UHFFFAOYSA-N 1 0 329.415 3.409 20 10 EGCDRO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1c(O)ccc2ccncc21 ZINC000749968488 1299316681 /nfs/dbraw/zinc/31/66/81/1299316681.db2.gz OUSBLPNJKSKIAO-XMMPIXPASA-N 1 0 340.448 3.310 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c(O)c1 ZINC000877479076 1299329617 /nfs/dbraw/zinc/32/96/17/1299329617.db2.gz RWZVHDWPNRQUCG-ZDUSSCGKSA-N 1 0 339.357 3.059 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000877504747 1299355112 /nfs/dbraw/zinc/35/51/12/1299355112.db2.gz REXMSBDFBRLHMV-MRXNPFEDSA-N 1 0 336.229 3.286 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3C3CC3)cc2)CC1 ZINC000877538905 1299380904 /nfs/dbraw/zinc/38/09/04/1299380904.db2.gz GNVZYHVFCOXOTI-FQEVSTJZSA-N 1 0 326.484 3.412 20 10 EGCDRO Cc1cccnc1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877565596 1299401886 /nfs/dbraw/zinc/40/18/86/1299401886.db2.gz KOOPMJGYLFRCND-UHFFFAOYSA-N 1 0 339.483 3.074 20 10 EGCDRO COc1cc(OCC[NH+](C)C)ccc1NCc1ccc(C)cc1O ZINC000877588119 1299417330 /nfs/dbraw/zinc/41/73/30/1299417330.db2.gz LZPKZRGYRLJMOW-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO CSCC1(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877625121 1299440699 /nfs/dbraw/zinc/44/06/99/1299440699.db2.gz VXFFSVYNSBLZLI-UHFFFAOYSA-N 1 0 334.529 3.271 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3c(C)cccc3O)CC2)cc1 ZINC000877672292 1299468459 /nfs/dbraw/zinc/46/84/59/1299468459.db2.gz APFOZEHZCFMWGR-UHFFFAOYSA-N 1 0 338.451 3.403 20 10 EGCDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000751501577 1299558973 /nfs/dbraw/zinc/55/89/73/1299558973.db2.gz KWJLYELBSVLOQT-SFHVURJKSA-N 1 0 335.448 3.226 20 10 EGCDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000877795353 1299559860 /nfs/dbraw/zinc/55/98/60/1299559860.db2.gz HOYPUAOBPGKXFD-LBPRGKRZSA-N 1 0 328.250 3.138 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCc3ccc(NC(C)=O)cc3C2)c(O)c1 ZINC000877816496 1299577641 /nfs/dbraw/zinc/57/76/41/1299577641.db2.gz GBQPTJWVCLPROQ-UHFFFAOYSA-N 1 0 340.423 3.308 20 10 EGCDRO Cc1nn(C)c2ncc(C[NH2+]CCCSc3nccs3)cc12 ZINC000752264100 1299716859 /nfs/dbraw/zinc/71/68/59/1299716859.db2.gz ABZAVBKQNBDPMZ-UHFFFAOYSA-N 1 0 333.486 3.005 20 10 EGCDRO Oc1ccccc1C[N@H+](CCCOC(F)(F)F)C[C@H]1CCCO1 ZINC000878241562 1299855489 /nfs/dbraw/zinc/85/54/89/1299855489.db2.gz WOBQEWXNDYMMEP-CQSZACIVSA-N 1 0 333.350 3.300 20 10 EGCDRO CCCC[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CCC1 ZINC000754350445 1300127267 /nfs/dbraw/zinc/12/72/67/1300127267.db2.gz GVVJKKYCVFAHBS-IBGZPJMESA-N 1 0 331.504 3.317 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1O ZINC000754730486 1300202830 /nfs/dbraw/zinc/20/28/30/1300202830.db2.gz QCMBZRPKEUAATQ-LJQANCHMSA-N 1 0 327.424 3.455 20 10 EGCDRO C[C@H]([NH2+]CCC[NH+](C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756342887 1300471974 /nfs/dbraw/zinc/47/19/74/1300471974.db2.gz MQTJLJCSOLWOAY-VIFPVBQESA-N 1 0 335.673 3.410 20 10 EGCDRO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(Br)cc1O ZINC000756380244 1300480896 /nfs/dbraw/zinc/48/08/96/1300480896.db2.gz FNMNNTWEKXOWFU-ZUZCIYMTSA-N 1 0 349.228 3.032 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756398340 1300484903 /nfs/dbraw/zinc/48/49/03/1300484903.db2.gz VJLGYYPPTHROLK-YJBOKZPZSA-N 1 0 341.451 3.362 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cccc(OC)c2OC)c1 ZINC000756422853 1300487241 /nfs/dbraw/zinc/48/72/41/1300487241.db2.gz MXAHSRVMWNVZFT-CYBMUJFWSA-N 1 0 331.412 3.311 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)c1 ZINC000756457947 1300496162 /nfs/dbraw/zinc/49/61/62/1300496162.db2.gz IJUCSJNSXOZTNQ-IRXDYDNUSA-N 1 0 329.440 3.408 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccn(C)n1 ZINC000756465176 1300497798 /nfs/dbraw/zinc/49/77/98/1300497798.db2.gz JIULWHNYQNXQGB-CRAIPNDOSA-N 1 0 328.460 3.059 20 10 EGCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000756477668 1300501161 /nfs/dbraw/zinc/50/11/61/1300501161.db2.gz CXZWMQUJUQMRBM-CQSZACIVSA-N 1 0 339.439 3.345 20 10 EGCDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756495322 1300507432 /nfs/dbraw/zinc/50/74/32/1300507432.db2.gz PZGHHPMEWWUARY-MNOVXSKESA-N 1 0 336.233 3.227 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1C ZINC000756527777 1300515181 /nfs/dbraw/zinc/51/51/81/1300515181.db2.gz VTLNRNPWXXBJIJ-MRXNPFEDSA-N 1 0 347.480 3.264 20 10 EGCDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(Br)cc1O ZINC000756685364 1300547538 /nfs/dbraw/zinc/54/75/38/1300547538.db2.gz PINFQDQFABURLS-JTQLQIEISA-N 1 0 343.265 3.110 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2O ZINC000756737934 1300556256 /nfs/dbraw/zinc/55/62/56/1300556256.db2.gz HZAOOTSJGDUZAA-UHXUPSOCSA-N 1 0 341.448 3.025 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000756765659 1300562028 /nfs/dbraw/zinc/56/20/28/1300562028.db2.gz QJDUONTWJJMRMC-JSGCOSHPSA-N 1 0 325.836 3.424 20 10 EGCDRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1C ZINC000879648325 1300647969 /nfs/dbraw/zinc/64/79/69/1300647969.db2.gz JZKRPOCFKPIKRQ-CQSZACIVSA-N 1 0 341.411 3.008 20 10 EGCDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c(OC)c1 ZINC000879649039 1300648922 /nfs/dbraw/zinc/64/89/22/1300648922.db2.gz JYYAEVHXDVMKTG-OLZOCXBDSA-N 1 0 344.411 3.087 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccccc1O ZINC000879649292 1300649002 /nfs/dbraw/zinc/64/90/02/1300649002.db2.gz PXVNOFUSYNMFDO-KUDFPVQQSA-N 1 0 341.451 3.498 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc2ccccc2c1O ZINC000757653706 1300705058 /nfs/dbraw/zinc/70/50/58/1300705058.db2.gz JRMGFEKWAZNSHF-UKRRQHHQSA-N 1 0 333.453 3.163 20 10 EGCDRO Cc1cnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000758160377 1300797833 /nfs/dbraw/zinc/79/78/33/1300797833.db2.gz VLVJYKLAAGAIJR-HNNXBMFYSA-N 1 0 332.835 3.221 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000758530632 1300904306 /nfs/dbraw/zinc/90/43/06/1300904306.db2.gz VGUPXGVYSPHXDH-QUCCMNQESA-N 1 0 345.414 3.186 20 10 EGCDRO CCCC1(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000760521432 1301287224 /nfs/dbraw/zinc/28/72/24/1301287224.db2.gz UYCJWZZYZFPJGN-UHFFFAOYSA-N 1 0 347.478 3.164 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760647381 1301314053 /nfs/dbraw/zinc/31/40/53/1301314053.db2.gz LSTJAWBGDRMUIR-UHFFFAOYSA-N 1 0 327.424 3.321 20 10 EGCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761202478 1301419637 /nfs/dbraw/zinc/41/96/37/1301419637.db2.gz ZHRACDQTIRCONM-GUYCJALGSA-N 1 0 341.835 3.266 20 10 EGCDRO CN(C)c1ccccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223324 1301424942 /nfs/dbraw/zinc/42/49/42/1301424942.db2.gz PIQNGDLVIYXEOP-UHFFFAOYSA-N 1 0 327.472 3.329 20 10 EGCDRO CCC/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981936 1301582171 /nfs/dbraw/zinc/58/21/71/1301582171.db2.gz JTFRHNRVYFTRLP-IEXSPKMKSA-N 1 0 336.863 3.483 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC2CC(O)C2)c1O ZINC000762649129 1301720949 /nfs/dbraw/zinc/72/09/49/1301720949.db2.gz MBLLWFGTWHLXHL-ZBOXLXRLSA-N 1 0 328.250 3.275 20 10 EGCDRO CCC(C)(C)c1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000882879727 1302144042 /nfs/dbraw/zinc/14/40/42/1302144042.db2.gz JTAQEDARCONNAL-UHFFFAOYSA-N 1 0 343.475 3.121 20 10 EGCDRO C[C@H]([NH2+]CCCc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000765004914 1302185234 /nfs/dbraw/zinc/18/52/34/1302185234.db2.gz ZYWXKNXCUDULSF-KRWDZBQOSA-N 1 0 325.456 3.202 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000765254566 1302228438 /nfs/dbraw/zinc/22/84/38/1302228438.db2.gz NNPWJDOTWJXNST-NVXWUHKLSA-N 1 0 341.455 3.141 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000765253694 1302229980 /nfs/dbraw/zinc/22/99/80/1302229980.db2.gz LCEBOLVJYQJTIY-QAPCUYQASA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765285356 1302235936 /nfs/dbraw/zinc/23/59/36/1302235936.db2.gz ALKWUPJISKMCDE-RDJZCZTQSA-N 1 0 330.447 3.394 20 10 EGCDRO C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000883145398 1302269813 /nfs/dbraw/zinc/26/98/13/1302269813.db2.gz ZDMAMTWSFONTIG-LLVKDONJSA-N 1 0 345.256 3.115 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000765733733 1302314139 /nfs/dbraw/zinc/31/41/39/1302314139.db2.gz QUHKCJZYRYBBPH-RTBURBONSA-N 1 0 345.531 3.438 20 10 EGCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765862567 1302342758 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CCN(Cc1ccccc1)c1ccc(C[N@H+](CC(N)=O)C(C)C)cc1 ZINC000768180262 1302848022 /nfs/dbraw/zinc/84/80/22/1302848022.db2.gz KBSWVSRNOJBPOS-UHFFFAOYSA-N 1 0 339.483 3.409 20 10 EGCDRO COc1cccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1O ZINC000768194582 1302852353 /nfs/dbraw/zinc/85/23/53/1302852353.db2.gz BTPLGDSSAZVCNK-UHFFFAOYSA-N 1 0 346.858 3.372 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3cccc(C)c3)CC2)c(O)cc1C ZINC000768441826 1302904597 /nfs/dbraw/zinc/90/45/97/1302904597.db2.gz KUOSWPKYSZQMCP-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](CCOC)CCc2ccccc2)c1 ZINC000768587505 1302940616 /nfs/dbraw/zinc/94/06/16/1302940616.db2.gz YQEHPCDHJGIMQU-UHFFFAOYSA-N 1 0 329.440 3.482 20 10 EGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000768783541 1302977269 /nfs/dbraw/zinc/97/72/69/1302977269.db2.gz WTCJEPJECRGRNN-UHFFFAOYSA-N 1 0 330.403 3.310 20 10 EGCDRO COc1cccc(O)c1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000768925859 1303014611 /nfs/dbraw/zinc/01/46/11/1303014611.db2.gz 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/nfs/dbraw/zinc/41/90/36/1309419036.db2.gz QSVWIUCEGHWRLG-IBGZPJMESA-N 1 0 340.467 3.150 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)cc1OC ZINC000896827733 1310038614 /nfs/dbraw/zinc/03/86/14/1310038614.db2.gz BQWZPSNGRMRXGO-GFCCVEGCSA-N 1 0 329.396 3.023 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)c2c1c(F)ccc2O ZINC000797102514 1310140956 /nfs/dbraw/zinc/14/09/56/1310140956.db2.gz PGCZTQITTVGSFK-YPMHNXCESA-N 1 0 341.448 3.027 20 10 EGCDRO O[C@@H]1CCOC2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C1 ZINC000897261702 1310252420 /nfs/dbraw/zinc/25/24/20/1310252420.db2.gz KOTVNPFFRUFDJG-HXUWFJFHSA-N 1 0 344.499 3.183 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)N(C)C)cc1 ZINC000898448420 1310740669 /nfs/dbraw/zinc/74/06/69/1310740669.db2.gz RURFCYYPDUOAPW-ZFWWWQNUSA-N 1 0 330.303 3.139 20 10 EGCDRO COc1ccsc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450526 1310742216 /nfs/dbraw/zinc/74/22/16/1310742216.db2.gz RUUPEKWQIMCRFP-INIZCTEOSA-N 1 0 333.501 3.215 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)N(C)C)cc1 ZINC000898452076 1310742979 /nfs/dbraw/zinc/74/29/79/1310742979.db2.gz UNXMHAGDKOPESU-LJQANCHMSA-N 1 0 343.519 3.097 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000800476135 1310765006 /nfs/dbraw/zinc/76/50/06/1310765006.db2.gz IDDUZMREHKQDOE-GOSISDBHSA-N 1 0 332.513 3.289 20 10 EGCDRO COCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000800476890 1310767003 /nfs/dbraw/zinc/76/70/03/1310767003.db2.gz RCXFOODATUCBRK-UZLBHIALSA-N 1 0 332.488 3.459 20 10 EGCDRO Cc1cccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)c1O ZINC000800543623 1310781446 /nfs/dbraw/zinc/78/14/46/1310781446.db2.gz GATOQEJDXHTCEJ-INIZCTEOSA-N 1 0 326.440 3.352 20 10 EGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1 ZINC000801595874 1310971441 /nfs/dbraw/zinc/97/14/41/1310971441.db2.gz UWMAEJCFPIVCAD-SFHVURJKSA-N 1 0 329.440 3.434 20 10 EGCDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824602922 1320269075 /nfs/dbraw/zinc/26/90/75/1320269075.db2.gz HNEOBBMTPVGFLV-HNNXBMFYSA-N 1 0 335.448 3.083 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1O ZINC000825103005 1320309541 /nfs/dbraw/zinc/30/95/41/1320309541.db2.gz AVOSCTVNPVKTGZ-CABCVRRESA-N 1 0 325.836 3.444 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000825823969 1320364829 /nfs/dbraw/zinc/36/48/29/1320364829.db2.gz DDVPTVXXOHYMLU-DZGCQCFKSA-N 1 0 326.234 3.298 20 10 EGCDRO Cc1cccc(NCC[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000825430381 1320337759 /nfs/dbraw/zinc/33/77/59/1320337759.db2.gz XNYHDAKIOGRMPX-UHFFFAOYSA-N 1 0 336.233 3.060 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000826539328 1320387287 /nfs/dbraw/zinc/38/72/87/1320387287.db2.gz RQGPOIAUGCUYQE-CABCVRRESA-N 1 0 339.277 3.261 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000836485451 1320493346 /nfs/dbraw/zinc/49/33/46/1320493346.db2.gz VCOKFOYODYQWHP-UHFFFAOYSA-N 1 0 346.519 3.126 20 10 EGCDRO C[N@H+](CCC(=O)N1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000838785132 1320816625 /nfs/dbraw/zinc/81/66/25/1320816625.db2.gz BHMJDYNPTFXUEW-UHFFFAOYSA-N 1 0 329.488 3.121 20 10 EGCDRO COc1cccc(NC(=O)CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000839564179 1320938446 /nfs/dbraw/zinc/93/84/46/1320938446.db2.gz RPKMJKJYCTUFMF-OAHLLOKOSA-N 1 0 341.455 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C2)cc1C ZINC001019042714 1317019764 /nfs/dbraw/zinc/01/97/64/1317019764.db2.gz QYHQEQHJOSBGMD-WBVHZDCISA-N 1 0 332.488 3.376 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1O ZINC000802658055 1317024025 /nfs/dbraw/zinc/02/40/25/1317024025.db2.gz GKSFHLOSYIQEFI-LJQANCHMSA-N 1 0 338.451 3.024 20 10 EGCDRO COc1ccccc1OCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858087923 1328678939 /nfs/dbraw/zinc/67/89/39/1328678939.db2.gz WLNHENQWUUEFPH-UHFFFAOYSA-N 1 0 336.382 3.208 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@]34C[C@@H]3CCCC4)C2)cc1C ZINC001019350597 1317185264 /nfs/dbraw/zinc/18/52/64/1317185264.db2.gz KISPURBPNNCLES-WFXMLNOXSA-N 1 0 342.483 3.274 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000858121680 1328688154 /nfs/dbraw/zinc/68/81/54/1328688154.db2.gz DVANFQITWBPMNX-OAHLLOKOSA-N 1 0 328.250 3.186 20 10 EGCDRO CCC[N@H+](CC)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805190000 1317324711 /nfs/dbraw/zinc/32/47/11/1317324711.db2.gz FSJXLGBVHZRCQK-UHFFFAOYSA-N 1 0 348.274 3.230 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@](C)(O)c2ccsc2)cc1F ZINC000858142907 1328694874 /nfs/dbraw/zinc/69/48/74/1328694874.db2.gz QSNPEQQGYJNJMB-INIZCTEOSA-N 1 0 326.412 3.090 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCC=CCC3)C2)cc1C ZINC001019788624 1317421741 /nfs/dbraw/zinc/42/17/41/1317421741.db2.gz PNSGQIARANGRIA-IBGZPJMESA-N 1 0 342.483 3.441 20 10 EGCDRO FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000806139901 1317464005 /nfs/dbraw/zinc/46/40/05/1317464005.db2.gz FLEZKCDYQHNKTK-UWVGGRQHSA-N 1 0 326.409 3.325 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000806179810 1317470008 /nfs/dbraw/zinc/47/00/08/1317470008.db2.gz WGFJNEORJOADLV-GXTWGEPZSA-N 1 0 335.831 3.481 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC=CCC3)C2)cc1C ZINC001019985321 1317488192 /nfs/dbraw/zinc/48/81/92/1317488192.db2.gz ZWLVRRVVEIGFAZ-KZNAEPCWSA-N 1 0 328.456 3.097 20 10 EGCDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807141749 1317553245 /nfs/dbraw/zinc/55/32/45/1317553245.db2.gz VIUYVVLKLPGNNK-BXWFABGCSA-N 1 0 344.503 3.082 20 10 EGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3c(O)ccc4ccncc43)C2)n1 ZINC000902585164 1317597370 /nfs/dbraw/zinc/59/73/70/1317597370.db2.gz RHZZJSZLCILNGR-CQSZACIVSA-N 1 0 338.411 3.087 20 10 EGCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000903056944 1317644236 /nfs/dbraw/zinc/64/42/36/1317644236.db2.gz VOYSYZZTRZNRBE-YLJYHZDGSA-N 1 0 332.488 3.085 20 10 EGCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000808217653 1317645624 /nfs/dbraw/zinc/64/56/24/1317645624.db2.gz KZBIVTDKDJXKEL-OAHLLOKOSA-N 1 0 348.487 3.134 20 10 EGCDRO CCOCC(C)(C)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000808450288 1317679100 /nfs/dbraw/zinc/67/91/00/1317679100.db2.gz NKBUIGXBQDKVFI-UHFFFAOYSA-N 1 0 346.265 3.316 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1O ZINC000903448312 1317702013 /nfs/dbraw/zinc/70/20/13/1317702013.db2.gz MYDDFCGPHTXZHO-BEFAXECRSA-N 1 0 327.472 3.412 20 10 EGCDRO COc1ccnc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903448090 1317702277 /nfs/dbraw/zinc/70/22/77/1317702277.db2.gz JLKUYBRBOIQICF-YWZLYKJASA-N 1 0 342.487 3.110 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1O ZINC000903480630 1317705812 /nfs/dbraw/zinc/70/58/12/1317705812.db2.gz YVISFCAEPOPRDR-GHMZBOCLSA-N 1 0 336.233 3.017 20 10 EGCDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808690041 1317716218 /nfs/dbraw/zinc/71/62/18/1317716218.db2.gz IZVACQPPOFQUBG-YPMHNXCESA-N 1 0 326.824 3.235 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)c1O ZINC000809741771 1317886545 /nfs/dbraw/zinc/88/65/45/1317886545.db2.gz VYYWVDDWOJTCPE-ZDUSSCGKSA-N 1 0 345.439 3.447 20 10 EGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2cc(C)ccc2O)c1 ZINC000809751044 1317889956 /nfs/dbraw/zinc/88/99/56/1317889956.db2.gz AIHJFDUNASAWGM-UHFFFAOYSA-N 1 0 328.456 3.273 20 10 EGCDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809768341 1317896665 /nfs/dbraw/zinc/89/66/65/1317896665.db2.gz IOMWNQJRPPFYPZ-LJQANCHMSA-N 1 0 329.440 3.277 20 10 EGCDRO Oc1c(F)cc(Br)cc1CNc1[nH+]ccn1C1CC1 ZINC000905413723 1317957255 /nfs/dbraw/zinc/95/72/55/1317957255.db2.gz FTRYIHAQIQGWHK-UHFFFAOYSA-N 1 0 326.169 3.437 20 10 EGCDRO COC[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)OCCc2ccccc21 ZINC000810158735 1317965831 /nfs/dbraw/zinc/96/58/31/1317965831.db2.gz SNGUGGAQPCDNQB-LJQANCHMSA-N 1 0 347.842 3.250 20 10 EGCDRO CC[C@]1(C[NH2+]Cc2c(O)cccc2OC)OCCc2ccccc21 ZINC000810160116 1317965858 /nfs/dbraw/zinc/96/58/58/1317965858.db2.gz UVFFZVAJLRAOEY-HXUWFJFHSA-N 1 0 327.424 3.369 20 10 EGCDRO CC[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(C(F)(F)F)cc1O ZINC000810209444 1317976603 /nfs/dbraw/zinc/97/66/03/1317976603.db2.gz DJBGJCYNDUTESY-GFCCVEGCSA-N 1 0 340.349 3.190 20 10 EGCDRO CC[C@@H]([NH2+]CCc1cnccn1)c1ccc(C(F)(F)F)cc1O ZINC000810229853 1317981700 /nfs/dbraw/zinc/98/17/00/1317981700.db2.gz LVKMOKTYGPOEGI-CQSZACIVSA-N 1 0 325.334 3.484 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C2CCCC2)c(C(F)(F)F)c1 ZINC000811517915 1318194865 /nfs/dbraw/zinc/19/48/65/1318194865.db2.gz CZEOTSKCJXNZOY-MRXNPFEDSA-N 1 0 330.394 3.412 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2cc[nH]c2)cc1C ZINC000960018092 1318314143 /nfs/dbraw/zinc/31/41/43/1318314143.db2.gz HMJNJMYVIRSLDT-SFHVURJKSA-N 1 0 341.455 3.116 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000813331395 1318534890 /nfs/dbraw/zinc/53/48/90/1318534890.db2.gz NYCUYVHPXFYLLS-AWEZNQCLSA-N 1 0 329.444 3.491 20 10 EGCDRO C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+](C)C ZINC000813877369 1318649256 /nfs/dbraw/zinc/64/92/56/1318649256.db2.gz UCBGTWOWXGQSEP-HUUCEWRRSA-N 1 0 339.911 3.025 20 10 EGCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000814171116 1318687717 /nfs/dbraw/zinc/68/77/17/1318687717.db2.gz HOIUAYRYTMBHLW-IBGZPJMESA-N 1 0 345.826 3.362 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815094615 1318890007 /nfs/dbraw/zinc/89/00/07/1318890007.db2.gz DSYDPOPIWYKDFV-WMZOPIPTSA-N 1 0 347.503 3.408 20 10 EGCDRO CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)OCCO1 ZINC000815600513 1319025743 /nfs/dbraw/zinc/02/57/43/1319025743.db2.gz WHCUBQLYWUVZRY-GOSISDBHSA-N 1 0 327.424 3.419 20 10 EGCDRO CCn1ncnc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815621678 1319030253 /nfs/dbraw/zinc/03/02/53/1319030253.db2.gz AIPIIJTYRVZGLN-GOSISDBHSA-N 1 0 336.439 3.467 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000815625702 1319030285 /nfs/dbraw/zinc/03/02/85/1319030285.db2.gz KHUSZMDSTQTORU-SJORKVTESA-N 1 0 345.487 3.340 20 10 EGCDRO CC[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000815641363 1319034342 /nfs/dbraw/zinc/03/43/42/1319034342.db2.gz VZLBDCYDXCXACE-CQSZACIVSA-N 1 0 342.365 3.213 20 10 EGCDRO Cc1cc(CN2CC[NH+](Cc3ccc4ccccc4c3O)CC2)on1 ZINC000816483213 1319163728 /nfs/dbraw/zinc/16/37/28/1319163728.db2.gz JWXJATTWSNJSQY-UHFFFAOYSA-N 1 0 337.423 3.160 20 10 EGCDRO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816513806 1319171012 /nfs/dbraw/zinc/17/10/12/1319171012.db2.gz CASTYCOFASASCF-UHFFFAOYSA-N 1 0 334.419 3.294 20 10 EGCDRO Oc1c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)ccc2ccccc21 ZINC000816533402 1319177295 /nfs/dbraw/zinc/17/72/95/1319177295.db2.gz UUKVTDGHHIZOOE-UHFFFAOYSA-N 1 0 344.418 3.475 20 10 EGCDRO Oc1c(C[NH2+]CCc2cn3c(n2)SCC3)ccc2ccccc21 ZINC000816570891 1319186163 /nfs/dbraw/zinc/18/61/63/1319186163.db2.gz KJQBUQZASFQOMN-UHFFFAOYSA-N 1 0 325.437 3.180 20 10 EGCDRO CN(C)C(=O)OC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816654399 1319202080 /nfs/dbraw/zinc/20/20/80/1319202080.db2.gz GEUPGPVBQLBYSL-UHFFFAOYSA-N 1 0 328.412 3.208 20 10 EGCDRO OC[C@@]1([C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C2CC2)CCCO1 ZINC000816667820 1319206601 /nfs/dbraw/zinc/20/66/01/1319206601.db2.gz XSRBSVAAIWZOQZ-NHCUHLMSSA-N 1 0 344.499 3.087 20 10 EGCDRO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000817363399 1319338027 /nfs/dbraw/zinc/33/80/27/1319338027.db2.gz CMPDFXHLLDQGLI-QWHCGFSZSA-N 1 0 349.427 3.063 20 10 EGCDRO NC(=O)CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000817586213 1319406420 /nfs/dbraw/zinc/40/64/20/1319406420.db2.gz MEXUUGRDGVUADG-GOSISDBHSA-N 1 0 338.451 3.311 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817792284 1319444967 /nfs/dbraw/zinc/44/49/67/1319444967.db2.gz RNPHBKSSENWMCK-UHFFFAOYSA-N 1 0 346.519 3.157 20 10 EGCDRO CC(=O)Nc1cccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939125 1319466888 /nfs/dbraw/zinc/46/68/88/1319466888.db2.gz ZIJNBXRPIDFDLG-XOBRGWDASA-N 1 0 340.471 3.062 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000817944353 1319472285 /nfs/dbraw/zinc/47/22/85/1319472285.db2.gz ZQSSQYOGJNEQSD-RBUKOAKNSA-N 1 0 325.456 3.256 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)NC[C@@H]2CCCC[NH2+]2)c1O ZINC000817949660 1319473368 /nfs/dbraw/zinc/47/33/68/1319473368.db2.gz LNMMHJVWBGYLSK-YPMHNXCESA-N 1 0 327.266 3.256 20 10 EGCDRO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817957834 1319476369 /nfs/dbraw/zinc/47/63/69/1319476369.db2.gz FJOSSJJZXVYOQX-KXBFYZLASA-N 1 0 349.494 3.221 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817961195 1319478233 /nfs/dbraw/zinc/47/82/33/1319478233.db2.gz VGIPOMKKYVVBOH-RBZYPMLTSA-N 1 0 345.256 3.462 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000817993939 1319486865 /nfs/dbraw/zinc/48/68/65/1319486865.db2.gz ULJZZYONOUXBHI-HNNXBMFYSA-N 1 0 325.456 3.435 20 10 EGCDRO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000915685969 1319519738 /nfs/dbraw/zinc/51/97/38/1319519738.db2.gz LTAGXHYWNLZRJS-APWZRJJASA-N 1 0 331.504 3.222 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(O)cccc3OC)C2)cc1 ZINC000818219076 1319521164 /nfs/dbraw/zinc/52/11/64/1319521164.db2.gz BFQVTKJUURMTKD-OAHLLOKOSA-N 1 0 342.439 3.026 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccnc3Cl)C2)cc1 ZINC000818220439 1319521310 /nfs/dbraw/zinc/52/13/10/1319521310.db2.gz KJRIKXRMJGMHGD-AWEZNQCLSA-N 1 0 331.847 3.360 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cncc(F)c3)C2)cc1 ZINC000818220679 1319521498 /nfs/dbraw/zinc/52/14/98/1319521498.db2.gz IVILZMGDOWRRFM-CABCVRRESA-N 1 0 329.419 3.406 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnn(C(C)C)c3)C2)cc1 ZINC000818222803 1319522618 /nfs/dbraw/zinc/52/26/18/1319522618.db2.gz WCPZWPRBIFRIHH-MRXNPFEDSA-N 1 0 328.460 3.089 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C2)cc1 ZINC000818341866 1319530751 /nfs/dbraw/zinc/53/07/51/1319530751.db2.gz HWBXMIRHPDIZPX-JKSUJKDBSA-N 1 0 348.487 3.231 20 10 EGCDRO OC1(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCC1 ZINC000819120036 1319640724 /nfs/dbraw/zinc/64/07/24/1319640724.db2.gz IHPDUMIMZNBEEA-AWEZNQCLSA-N 1 0 340.414 3.152 20 10 EGCDRO CC(C)[N@H+](CC(=O)N1CCCC[C@H]1C)Cc1ccc(N(C)C)cc1 ZINC000917074568 1319748151 /nfs/dbraw/zinc/74/81/51/1319748151.db2.gz AHJOYFLXJUCCOS-QGZVFWFLSA-N 1 0 331.504 3.364 20 10 EGCDRO CC(C)[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1ccc(N(C)C)cc1 ZINC000917074772 1319750492 /nfs/dbraw/zinc/75/04/92/1319750492.db2.gz FZPQZCUORSTCGI-ROUUACIJSA-N 1 0 345.531 3.468 20 10 EGCDRO CC1CC[NH+](CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000820006345 1319822595 /nfs/dbraw/zinc/82/25/95/1319822595.db2.gz UMOHBWKZKYEXKV-UHFFFAOYSA-N 1 0 349.438 3.067 20 10 EGCDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000918697559 1319990143 /nfs/dbraw/zinc/99/01/43/1319990143.db2.gz UNTDDJMNAHMZES-SFHVURJKSA-N 1 0 339.483 3.474 20 10 EGCDRO Cc1ccc(NC(=O)C[NH2+]Cc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000822490265 1320087658 /nfs/dbraw/zinc/08/76/58/1320087658.db2.gz SHPIBPNIXDGFLT-UHFFFAOYSA-N 1 0 330.815 3.312 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H](C)O1 ZINC000823764881 1320204322 /nfs/dbraw/zinc/20/43/22/1320204322.db2.gz DAIAYWFGABHFDK-IIYDPXPESA-N 1 0 340.414 3.412 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000824584177 1320267631 /nfs/dbraw/zinc/26/76/31/1320267631.db2.gz WNIOVUZALIBIDZ-UHFFFAOYSA-N 1 0 343.446 3.125 20 10 EGCDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824655354 1320274744 /nfs/dbraw/zinc/27/47/44/1320274744.db2.gz VZSBZQDPCPWMAI-OAHLLOKOSA-N 1 0 335.448 3.226 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000824953115 1320299714 /nfs/dbraw/zinc/29/97/14/1320299714.db2.gz HGQQRVKMQXJLKT-LPHOPBHVSA-N 1 0 328.412 3.196 20 10 EGCDRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000825185122 1320316866 /nfs/dbraw/zinc/31/68/66/1320316866.db2.gz JLMSLSXCZZEHHC-INIZCTEOSA-N 1 0 341.451 3.368 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(C)n1-c1ccccc1C ZINC000825189265 1320317503 /nfs/dbraw/zinc/31/75/03/1320317503.db2.gz ZEPWQLUHHQQIQZ-IRXDYDNUSA-N 1 0 325.456 3.260 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000825344913 1320331514 /nfs/dbraw/zinc/33/15/14/1320331514.db2.gz ZJOPMJAORKXBDQ-MRXNPFEDSA-N 1 0 336.229 3.286 20 10 EGCDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825557321 1320346721 /nfs/dbraw/zinc/34/67/21/1320346721.db2.gz ZLPMFSKDUWNIEP-LBPRGKRZSA-N 1 0 340.851 3.311 20 10 EGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825568279 1320347374 /nfs/dbraw/zinc/34/73/74/1320347374.db2.gz VTILNDHVGMKRSW-OAHLLOKOSA-N 1 0 328.250 3.139 20 10 EGCDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(Br)cc2O)C1 ZINC000825935595 1320372177 /nfs/dbraw/zinc/37/21/77/1320372177.db2.gz YLLGZRMJPNCKGK-DOMZBBRYSA-N 1 0 339.277 3.071 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000839146743 1320880152 /nfs/dbraw/zinc/88/01/52/1320880152.db2.gz SVKDUTWPYGAIGF-ZDUSSCGKSA-N 1 0 333.382 3.047 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c(O)c1 ZINC000840866793 1321164995 /nfs/dbraw/zinc/16/49/95/1321164995.db2.gz ZUINJOOQZWFDKT-GOEBONIOSA-N 1 0 328.412 3.472 20 10 EGCDRO C[C@@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1cc(F)ccc1O ZINC000840865006 1321165031 /nfs/dbraw/zinc/16/50/31/1321165031.db2.gz SLSBQRUXLKQPQP-IUODEOHRSA-N 1 0 332.375 3.303 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(C)C ZINC000840879208 1321168154 /nfs/dbraw/zinc/16/81/54/1321168154.db2.gz MDFFGAWOWAQTJG-LJHODMEESA-N 1 0 338.467 3.108 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)c(O)c1 ZINC000840881916 1321169513 /nfs/dbraw/zinc/16/95/13/1321169513.db2.gz LEUHXWKJAIWGRN-DYVFJYSZSA-N 1 0 328.387 3.296 20 10 EGCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000840890390 1321171695 /nfs/dbraw/zinc/17/16/95/1321171695.db2.gz MHMBZBJTKFPANE-CABCVRRESA-N 1 0 335.467 3.380 20 10 EGCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(N(C)C)cc1C ZINC000840942869 1321183166 /nfs/dbraw/zinc/18/31/66/1321183166.db2.gz JXYOVRDSEZTOJV-UHFFFAOYSA-N 1 0 345.512 3.261 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1C ZINC000840967671 1321189760 /nfs/dbraw/zinc/18/97/60/1321189760.db2.gz QPBFXAPCKWQTEE-QGZVFWFLSA-N 1 0 328.387 3.043 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnc(C(C)(C)C)s2)cc1 ZINC000841043890 1321208379 /nfs/dbraw/zinc/20/83/79/1321208379.db2.gz RGJZWBFOCCPCIC-INIZCTEOSA-N 1 0 332.517 3.296 20 10 EGCDRO CCCOc1cccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841044327 1321208536 /nfs/dbraw/zinc/20/85/36/1321208536.db2.gz WCEJKWAGQMJLPY-FQEVSTJZSA-N 1 0 327.472 3.331 20 10 EGCDRO Oc1ccc(Br)cc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841076789 1321214790 /nfs/dbraw/zinc/21/47/90/1321214790.db2.gz PIGABMIADGRNRQ-UHFFFAOYSA-N 1 0 349.228 3.249 20 10 EGCDRO C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000841329281 1321257444 /nfs/dbraw/zinc/25/74/44/1321257444.db2.gz DKBZILUVPBTJKR-AWEZNQCLSA-N 1 0 326.444 3.355 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000841406969 1321269172 /nfs/dbraw/zinc/26/91/72/1321269172.db2.gz UMUKONWUAXPQLQ-KDOFPFPSSA-N 1 0 342.439 3.271 20 10 EGCDRO Cc1cc(C(=O)NCC2([NH+](C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000841455854 1321274058 /nfs/dbraw/zinc/27/40/58/1321274058.db2.gz WYGFOWIJIVFXJU-UHFFFAOYSA-N 1 0 329.419 3.057 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841744991 1321305188 /nfs/dbraw/zinc/30/51/88/1321305188.db2.gz LWMLCSBXJNAYKJ-GFCCVEGCSA-N 1 0 336.819 3.317 20 10 EGCDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CO1 ZINC000841863252 1321323861 /nfs/dbraw/zinc/32/38/61/1321323861.db2.gz KGGFCTXWGBBYLR-HZPDHXFCSA-N 1 0 338.879 3.167 20 10 EGCDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000841881078 1321325883 /nfs/dbraw/zinc/32/58/83/1321325883.db2.gz NUROPAMPBWGYPS-KSSFIOAISA-N 1 0 332.492 3.020 20 10 EGCDRO Fc1cc(C[NH+]2CCC(OC3CCC3)CC2)ccc1N1CCOCC1 ZINC000841888711 1321326179 /nfs/dbraw/zinc/32/61/79/1321326179.db2.gz ODCSEQJSHYYOEO-UHFFFAOYSA-N 1 0 348.462 3.196 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841925538 1321330173 /nfs/dbraw/zinc/33/01/73/1321330173.db2.gz FUXBVNLOEUUILM-JKSUJKDBSA-N 1 0 333.476 3.092 20 10 EGCDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCc1ccc(N)cc1 ZINC000841960030 1321332335 /nfs/dbraw/zinc/33/23/35/1321332335.db2.gz SZSLXZADDWKHBX-UHFFFAOYSA-N 1 0 346.519 3.155 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000841984075 1321333618 /nfs/dbraw/zinc/33/36/18/1321333618.db2.gz AXLZUFBHKUGBLF-LJQANCHMSA-N 1 0 346.519 3.192 20 10 EGCDRO C[C@H](CCCC[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841995176 1321334039 /nfs/dbraw/zinc/33/40/39/1321334039.db2.gz MDBAZOGMHBUQFW-OAHLLOKOSA-N 1 0 345.443 3.215 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000841996152 1321334086 /nfs/dbraw/zinc/33/40/86/1321334086.db2.gz QZBDXERUYGEELB-INIZCTEOSA-N 1 0 334.508 3.192 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccnn3CC(C)C)CC2)cc1 ZINC000842674156 1321416907 /nfs/dbraw/zinc/41/69/07/1321416907.db2.gz XMXWTVXRODUDLF-UHFFFAOYSA-N 1 0 342.487 3.306 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000843048624 1321461308 /nfs/dbraw/zinc/46/13/08/1321461308.db2.gz LQBANEXDIXUORD-NSHDSACASA-N 1 0 327.266 3.022 20 10 EGCDRO COc1ccc(CN2CCCc3cc(C[NH3+])ccc32)c(OC)c1OC ZINC000843057163 1321464272 /nfs/dbraw/zinc/46/42/72/1321464272.db2.gz FWAPPLNWNNCBKT-UHFFFAOYSA-N 1 0 342.439 3.124 20 10 EGCDRO COc1cc(C)c(CN2CCCc3cc(C[NH3+])ccc32)cc1OC ZINC000843057670 1321464305 /nfs/dbraw/zinc/46/43/05/1321464305.db2.gz GXNRKIURKGQZCK-UHFFFAOYSA-N 1 0 326.440 3.424 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN(CC[NH3+])Cc2ccccc2)c1O ZINC000843368293 1321508122 /nfs/dbraw/zinc/50/81/22/1321508122.db2.gz QIQNUKIBMSYLQG-UHFFFAOYSA-N 1 0 332.831 3.209 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2nc3ccccc3o2)cc1 ZINC000844400094 1321600301 /nfs/dbraw/zinc/60/03/01/1321600301.db2.gz WAQKMALGHCIMLD-UHFFFAOYSA-N 1 0 325.412 3.405 20 10 EGCDRO CCOc1ccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)nc1 ZINC000844402145 1321600499 /nfs/dbraw/zinc/60/04/99/1321600499.db2.gz VOYSGHQELMTJTA-UHFFFAOYSA-N 1 0 329.444 3.057 20 10 EGCDRO COCOc1ccc(OC)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846058889 1321765376 /nfs/dbraw/zinc/76/53/76/1321765376.db2.gz VKDSIZJWDDHNHJ-UHFFFAOYSA-N 1 0 337.803 3.327 20 10 EGCDRO OC[C@H](CCF)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000846096851 1321767443 /nfs/dbraw/zinc/76/74/43/1321767443.db2.gz CQRUDLKMLXWGOG-IBGZPJMESA-N 1 0 328.431 3.059 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1O ZINC000846140945 1321770973 /nfs/dbraw/zinc/77/09/73/1321770973.db2.gz AYMWDFWUXWTDBL-CQSZACIVSA-N 1 0 334.460 3.089 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2nc3cc(F)ccc3n2C)c1O ZINC000846152564 1321771944 /nfs/dbraw/zinc/77/19/44/1321771944.db2.gz AKFPGMDYGBDYNR-NSHDSACASA-N 1 0 329.375 3.277 20 10 EGCDRO COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846154136 1321772713 /nfs/dbraw/zinc/77/27/13/1321772713.db2.gz KMDICGMCPNPMTH-ZDUSSCGKSA-N 1 0 344.411 3.472 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000846161138 1321773036 /nfs/dbraw/zinc/77/30/36/1321773036.db2.gz UVRJWLOSXLHNOL-LBPRGKRZSA-N 1 0 327.380 3.469 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000846206852 1321776218 /nfs/dbraw/zinc/77/62/18/1321776218.db2.gz USRZJAYKMNOBTJ-IRXDYDNUSA-N 1 0 341.499 3.338 20 10 EGCDRO CCc1cccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1O ZINC000848886811 1322029895 /nfs/dbraw/zinc/02/98/95/1322029895.db2.gz IQLDHCLGOJVTLP-UHFFFAOYSA-N 1 0 345.874 3.321 20 10 EGCDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3cccc(CC)c3O)C2)ncn1 ZINC000848895234 1322034929 /nfs/dbraw/zinc/03/49/29/1322034929.db2.gz KKPNDZWJGWICSL-SFHVURJKSA-N 1 0 340.471 3.066 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1O ZINC000848905584 1322041753 /nfs/dbraw/zinc/04/17/53/1322041753.db2.gz JVJMTROYGMKECE-LJQANCHMSA-N 1 0 338.451 3.154 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccnn3CC3CC3)CC2)cc1 ZINC000850116545 1322194334 /nfs/dbraw/zinc/19/43/34/1322194334.db2.gz OJPDVPWVAAMPOA-UHFFFAOYSA-N 1 0 340.471 3.060 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)[C@]1(O)CCCOC1 ZINC000850401373 1322239361 /nfs/dbraw/zinc/23/93/61/1322239361.db2.gz YMGBWBSJYBJQBW-NRFANRHFSA-N 1 0 346.515 3.334 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000850406096 1322240430 /nfs/dbraw/zinc/24/04/30/1322240430.db2.gz RFBINAGKWKQGNN-UHFFFAOYSA-N 1 0 344.430 3.085 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cncc(F)c1 ZINC000850406320 1322240829 /nfs/dbraw/zinc/24/08/29/1322240829.db2.gz BHIAIMJTOHUGEU-CQSZACIVSA-N 1 0 329.419 3.033 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1C ZINC000850418722 1322244457 /nfs/dbraw/zinc/24/44/57/1322244457.db2.gz AZMIHBOSUIKFQD-MRXNPFEDSA-N 1 0 325.330 3.250 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000850558384 1322267223 /nfs/dbraw/zinc/26/72/23/1322267223.db2.gz RIEJDALDTCBRAZ-DYEKYZERSA-N 1 0 334.435 3.316 20 10 EGCDRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921777705 1322397686 /nfs/dbraw/zinc/39/76/86/1322397686.db2.gz LFQPEWRQOWVBJW-UHFFFAOYSA-N 1 0 338.451 3.046 20 10 EGCDRO FC(F)COc1ncccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921946126 1322428138 /nfs/dbraw/zinc/42/81/38/1322428138.db2.gz VKQYHWFNVBWWMM-UHFFFAOYSA-N 1 0 334.366 3.340 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NCc1cccs1 ZINC000922211137 1322479544 /nfs/dbraw/zinc/47/95/44/1322479544.db2.gz UYZOKYIRQZKCBL-QGZVFWFLSA-N 1 0 344.480 3.258 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001024176863 1323189569 /nfs/dbraw/zinc/18/95/69/1323189569.db2.gz GZMLNWQUQHABRP-ROUUACIJSA-N 1 0 342.483 3.132 20 10 EGCDRO CC1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)CC1 ZINC000853099379 1323280920 /nfs/dbraw/zinc/28/09/20/1323280920.db2.gz RNUAVYMWWDPRBC-FQEVSTJZSA-N 1 0 325.456 3.141 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)/C=C(\C)C3CC3)C2)cc1C ZINC001026710897 1324987336 /nfs/dbraw/zinc/98/73/36/1324987336.db2.gz DMEGTVSRZQYWGJ-OTMARIDSSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CCC3CC3)C2)cc1C ZINC001026740487 1324998535 /nfs/dbraw/zinc/99/85/35/1324998535.db2.gz OOXYIDJNAYVUHR-SFHVURJKSA-N 1 0 330.472 3.132 20 10 EGCDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1c(O)ccc2ccncc21 ZINC000853521241 1325111451 /nfs/dbraw/zinc/11/14/51/1325111451.db2.gz UKFGGTSMRNGNLV-UHFFFAOYSA-N 1 0 345.443 3.287 20 10 EGCDRO C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000854222032 1325230619 /nfs/dbraw/zinc/23/06/19/1325230619.db2.gz BUKMYVJQQJTEJT-SECBINFHSA-N 1 0 331.229 3.216 20 10 EGCDRO CCC[NH2+]C1CCC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000964447701 1325530278 /nfs/dbraw/zinc/53/02/78/1325530278.db2.gz LIBSIADHZFXWNT-UHFFFAOYSA-N 1 0 345.447 3.232 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cn(C(C)C)nn3)C2)cc1 ZINC000926613095 1327635866 /nfs/dbraw/zinc/63/58/66/1327635866.db2.gz SDMKQAWUTXODBJ-HZPDHXFCSA-N 1 0 343.475 3.045 20 10 EGCDRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000927005935 1327816763 /nfs/dbraw/zinc/81/67/63/1327816763.db2.gz ROUSBISSNNJWSX-MRXNPFEDSA-N 1 0 330.472 3.481 20 10 EGCDRO CCOCCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000927086109 1327853279 /nfs/dbraw/zinc/85/32/79/1327853279.db2.gz CYUJQNYDJPJJQV-LBPRGKRZSA-N 1 0 346.265 3.167 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)cc1C ZINC000966907311 1328466947 /nfs/dbraw/zinc/46/69/47/1328466947.db2.gz TZHZAJFLOREMCV-ZWKOTPCHSA-N 1 0 328.456 3.050 20 10 EGCDRO Oc1cccc(Br)c1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000862235170 1329469370 /nfs/dbraw/zinc/46/93/70/1329469370.db2.gz CVNOSSRPYPJZKG-UHFFFAOYSA-N 1 0 336.233 3.257 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000862325316 1329475574 /nfs/dbraw/zinc/47/55/74/1329475574.db2.gz AHKHPGRFNUUECG-UHFFFAOYSA-N 1 0 326.234 3.157 20 10 EGCDRO COC(=O)c1cnc(C2CC[NH+](Cc3ccccc3O)CC2)s1 ZINC000862474428 1329489151 /nfs/dbraw/zinc/48/91/51/1329489151.db2.gz SUCMRMAIAQRILT-UHFFFAOYSA-N 1 0 332.425 3.015 20 10 EGCDRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000862476086 1329489504 /nfs/dbraw/zinc/48/95/04/1329489504.db2.gz HPQCCFKTZDCUKZ-UONOGXRCSA-N 1 0 327.371 3.157 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c1O ZINC000862486309 1329491091 /nfs/dbraw/zinc/49/10/91/1329491091.db2.gz XJEUPYQIHCQJLB-UHFFFAOYSA-N 1 0 348.830 3.327 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000865710395 1329731556 /nfs/dbraw/zinc/73/15/56/1329731556.db2.gz BMAIPJWSJXILRN-OTYXRUKQSA-N 1 0 335.366 3.100 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(Br)cn2)c1 ZINC000865811592 1329741315 /nfs/dbraw/zinc/74/13/15/1329741315.db2.gz VNUQPIZIEOSTNH-UHFFFAOYSA-N 1 0 337.217 3.238 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)cc1 ZINC000933568620 1329902049 /nfs/dbraw/zinc/90/20/49/1329902049.db2.gz DNFVRINTTHSUJT-KRWDZBQOSA-N 1 0 328.460 3.289 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1cc(F)ccc1O ZINC000866474051 1330116813 /nfs/dbraw/zinc/11/68/13/1330116813.db2.gz KGAINWCANGYEEP-CYBMUJFWSA-N 1 0 347.459 3.330 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)c(O)c1 ZINC000866473977 1330116883 /nfs/dbraw/zinc/11/68/83/1330116883.db2.gz JHCJYVHVRDAMTP-HNNXBMFYSA-N 1 0 343.496 3.500 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3sccc3F)C2)cc1C ZINC000968577853 1335968720 /nfs/dbraw/zinc/96/87/20/1335968720.db2.gz ZJBVNRUZCVJMNS-CQSZACIVSA-N 1 0 348.443 3.209 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C34CCC(CC3)C4)C2)cc1C ZINC000969105540 1336145342 /nfs/dbraw/zinc/14/53/42/1336145342.db2.gz YFEKFHFWBPVESS-NCYVPVAZSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)/C=C(\C)C2CC2)cc1C ZINC001034871740 1342815964 /nfs/dbraw/zinc/81/59/64/1342815964.db2.gz ANNJWOTYNLMKQV-LBKOFNPBSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(C)C)C[C@@H]2C)cc1C ZINC001035888349 1343250451 /nfs/dbraw/zinc/25/04/51/1343250451.db2.gz RAEJABOXTMHRQL-FUHWJXTLSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)C(C)C)C2)cc1C ZINC001036362860 1343444096 /nfs/dbraw/zinc/44/40/96/1343444096.db2.gz MSVPLYMDPUXYAY-AEFFLSMTSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)F)[C@@H](C)C2)cc1C ZINC001044414327 1346321699 /nfs/dbraw/zinc/32/16/99/1346321699.db2.gz UFQCXVKLXAJNPF-GOEBONIOSA-N 1 0 336.451 3.221 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C=C3CCC3)C2)cc1C ZINC001047798550 1347375900 /nfs/dbraw/zinc/37/59/00/1347375900.db2.gz ISHGXYCJHRHQGN-LPHOPBHVSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C3(C)CC3)C2)cc1C ZINC001047850665 1347388324 /nfs/dbraw/zinc/38/83/24/1347388324.db2.gz ATVNEFBTGHEIHO-RDJZCZTQSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC3CCC3)C[C@H]2C)cc1C ZINC001048193403 1347489510 /nfs/dbraw/zinc/48/95/10/1347489510.db2.gz PVNGSKOUNWZYSH-APWZRJJASA-N 1 0 344.499 3.378 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1O ZINC001233108402 1376570039 /nfs/dbraw/zinc/57/00/39/1376570039.db2.gz MCNCXZPXWNGASS-IUODEOHRSA-N 1 0 340.261 3.464 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001085299946 1358457523 /nfs/dbraw/zinc/45/75/23/1358457523.db2.gz WUYUFLZSYIJPSL-VIBAHUMZSA-N 1 0 330.472 3.177 20 10 EGCDRO CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085436765 1358499594 /nfs/dbraw/zinc/49/95/94/1358499594.db2.gz AHDQUMVVOKFMGN-HZPDHXFCSA-N 1 0 345.447 3.136 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3C(C)C)C2)cc1C ZINC001086518135 1359126386 /nfs/dbraw/zinc/12/63/86/1359126386.db2.gz HNVZTCQVRSBLQZ-CADBVGFASA-N 1 0 344.499 3.280 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccoc3)C2)cc1C ZINC001086644922 1359176490 /nfs/dbraw/zinc/17/64/90/1359176490.db2.gz UBUORLZRRDNWMV-FUHWJXTLSA-N 1 0 342.439 3.285 20 10 EGCDRO CC(C)[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001088431986 1359900292 /nfs/dbraw/zinc/90/02/92/1359900292.db2.gz KAONPEZFAPJOOP-MRXNPFEDSA-N 1 0 345.447 3.232 20 10 EGCDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001324459928 1387629558 /nfs/dbraw/zinc/62/95/58/1387629558.db2.gz YPPQYGWXAFGTKV-PKOBYXMFSA-N 1 0 340.471 3.030 20 10 EGCDRO CC/C(C)=C\C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100307971 1364075827 /nfs/dbraw/zinc/07/58/27/1364075827.db2.gz PMPGSEXUIPCTDW-ZSOIEALJSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(OC)c1 ZINC001203481461 1370140949 /nfs/dbraw/zinc/14/09/49/1370140949.db2.gz CNHMVTSJNFNETA-UHFFFAOYSA-N 1 0 329.396 3.063 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203555718 1370168404 /nfs/dbraw/zinc/16/84/04/1370168404.db2.gz DPSKSSSZBRLIDM-GOEBONIOSA-N 1 0 332.444 3.081 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1O ZINC001203601830 1370183759 /nfs/dbraw/zinc/18/37/59/1370183759.db2.gz MPOXQNZCVANUSE-PKOBYXMFSA-N 1 0 338.451 3.107 20 10 EGCDRO COc1cccc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3)CC2)c1O ZINC001203602205 1370184035 /nfs/dbraw/zinc/18/40/35/1370184035.db2.gz IIOKSOSSWAYMSM-OAHLLOKOSA-N 1 0 344.430 3.419 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC3(CCn4c(C)cnc43)CC2)c1O ZINC001203608519 1370186554 /nfs/dbraw/zinc/18/65/54/1370186554.db2.gz SEJKAURCOQTOCX-UHFFFAOYSA-N 1 0 341.455 3.233 20 10 EGCDRO COc1ccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001203627574 1370192224 /nfs/dbraw/zinc/19/22/24/1370192224.db2.gz JLAQECHMWWLWIY-MRXNPFEDSA-N 1 0 326.440 3.107 20 10 EGCDRO COc1ccc(C[NH+]2CCC3(Cc4ccccc4O3)CC2)c(O)c1 ZINC001203629011 1370193312 /nfs/dbraw/zinc/19/33/12/1370193312.db2.gz NPMMMRWOKWLYDH-UHFFFAOYSA-N 1 0 325.408 3.371 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)cc2O)[C@H]1c1ccccc1 ZINC001203634977 1370195534 /nfs/dbraw/zinc/19/55/34/1370195534.db2.gz DSGVBKFDEHKMBA-HKUYNNGSSA-N 1 0 341.407 3.137 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001203657512 1370204070 /nfs/dbraw/zinc/20/40/70/1370204070.db2.gz LQSHLEHPJPTULE-SJLPKXTDSA-N 1 0 337.847 3.206 20 10 EGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665190 1370208488 /nfs/dbraw/zinc/20/84/88/1370208488.db2.gz AFMOAVIVPOOCRJ-OAHLLOKOSA-N 1 0 333.819 3.187 20 10 EGCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H]2CCCC[C@@H]12 ZINC001203670770 1370209967 /nfs/dbraw/zinc/20/99/67/1370209967.db2.gz DSLPXLMOMUEMGV-OLMNPRSZSA-N 1 0 347.455 3.202 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c1 ZINC001203684578 1370217764 /nfs/dbraw/zinc/21/77/64/1370217764.db2.gz ZUYQTZMYWFBAIA-IAGOWNOFSA-N 1 0 340.467 3.496 20 10 EGCDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203880934 1370298339 /nfs/dbraw/zinc/29/83/39/1370298339.db2.gz KCUBNGHFEULTPV-MRXNPFEDSA-N 1 0 333.428 3.043 20 10 EGCDRO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC001203935743 1370321367 /nfs/dbraw/zinc/32/13/67/1370321367.db2.gz BVAANZHYVMEWEV-LJQANCHMSA-N 1 0 325.456 3.499 20 10 EGCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936253 1370322047 /nfs/dbraw/zinc/32/20/47/1370322047.db2.gz BNJDUOUAZNSGBL-MRXNPFEDSA-N 1 0 328.460 3.468 20 10 EGCDRO Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937498 1370322769 /nfs/dbraw/zinc/32/27/69/1370322769.db2.gz SNBHVCBGPQFVRA-LJQANCHMSA-N 1 0 325.456 3.499 20 10 EGCDRO COC(=O)c1cccc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)c1 ZINC001204279942 1370429866 /nfs/dbraw/zinc/42/98/66/1370429866.db2.gz FUKVBQWNMJEHEQ-UHFFFAOYSA-N 1 0 341.407 3.264 20 10 EGCDRO COc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204279273 1370430436 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CCOc1ccc(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001236129736 1376934766 /nfs/dbraw/zinc/93/47/66/1376934766.db2.gz QLHKRJXLWHDINQ-SFHVURJKSA-N 1 0 330.403 3.077 20 10 EGCDRO COc1ccc(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236389215 1376952052 /nfs/dbraw/zinc/95/20/52/1376952052.db2.gz UOEJMKSUDZEQFF-GOSISDBHSA-N 1 0 344.430 3.294 20 10 EGCDRO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237052057 1376971420 /nfs/dbraw/zinc/97/14/20/1376971420.db2.gz SPJZDOQPBBQVCI-KRWDZBQOSA-N 1 0 333.476 3.188 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CCN([C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246820561 1377055277 /nfs/dbraw/zinc/05/52/77/1377055277.db2.gz GWEQKNABRKXPTO-HNAYVOBHSA-N 1 0 341.499 3.322 20 10 EGCDRO CCCC[C@H]1C[C@@H](N2CCN(c3ccc(OC)cc3C)CC2)CC[NH2+]1 ZINC001246937164 1377055796 /nfs/dbraw/zinc/05/57/96/1377055796.db2.gz ZLYPWGVEMFVRQY-OALUTQOASA-N 1 0 345.531 3.436 20 10 EGCDRO Cc1c(C[NH+]2CCN(Cc3ccccn3)CC2)c2ccccc2n1C ZINC001138253966 1377694058 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CC[NH+](CC)[C@@H]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138340341 1377705758 /nfs/dbraw/zinc/70/57/58/1377705758.db2.gz UEXZLZBSMQJTQH-GOSISDBHSA-N 1 0 343.515 3.007 20 10 EGCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138353961 1377707559 /nfs/dbraw/zinc/70/75/59/1377707559.db2.gz OCNDLBUXVRJJOB-LJQANCHMSA-N 1 0 343.515 3.149 20 10 EGCDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4C(=O)Nc5ccccc5[C@H]4C3)ccc21 ZINC001138354692 1377708717 /nfs/dbraw/zinc/70/87/17/1377708717.db2.gz QARIWONTLKQAKH-MOPGFXCFSA-N 1 0 347.462 3.237 20 10 EGCDRO CN1CCCc2cc(C[N@@H+]3CCCC[C@@H]3C(=O)N3CCCC3)ccc21 ZINC001138358468 1377709315 /nfs/dbraw/zinc/70/93/15/1377709315.db2.gz SNAKYGHGVNJBOB-HXUWFJFHSA-N 1 0 341.499 3.046 20 10 EGCDRO Cc1nc(C2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)no1 ZINC001138358478 1377709429 /nfs/dbraw/zinc/70/94/29/1377709429.db2.gz SUYPHFRHRACCRV-UHFFFAOYSA-N 1 0 326.444 3.140 20 10 EGCDRO CCN(CC)c1ccc(CN2CC([NH+]3CCC(F)CC3)C2)c(OC)c1 ZINC001138389231 1377714097 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/nfs/dbraw/zinc/02/84/69/1378028469.db2.gz RJZUWFYFMDRAIH-UHFFFAOYSA-N 1 0 338.451 3.275 20 10 EGCDRO Oc1cccc(Cl)c1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140338776 1378048394 /nfs/dbraw/zinc/04/83/94/1378048394.db2.gz PEJXSPBXVSENNM-HOTGVXAUSA-N 1 0 343.858 3.004 20 10 EGCDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465259 1378067884 /nfs/dbraw/zinc/06/78/84/1378067884.db2.gz LQEJLJKXAHGUCY-GOSISDBHSA-N 1 0 336.863 3.413 20 10 EGCDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CC=CC3)cc2)CC1 ZINC001140474213 1378069502 /nfs/dbraw/zinc/06/95/02/1378069502.db2.gz MBNQMRLTKWJMTQ-UHFFFAOYSA-N 1 0 343.471 3.116 20 10 EGCDRO CN1c2ccccc2C2(CC[NH+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001273284663 1378094702 /nfs/dbraw/zinc/09/47/02/1378094702.db2.gz JHYYDKFZQRGTFK-UHFFFAOYSA-N 1 0 340.398 3.042 20 10 EGCDRO O=C1N(CC2CCCC2)CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001273284442 1378094879 /nfs/dbraw/zinc/09/48/79/1378094879.db2.gz IPAPEPZGBJQMAH-HXUWFJFHSA-N 1 0 346.446 3.146 20 10 EGCDRO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001273285279 1378094944 /nfs/dbraw/zinc/09/49/44/1378094944.db2.gz PBJACZSEMBVALG-AUUYWEPGSA-N 1 0 334.435 3.287 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001140620364 1378099550 /nfs/dbraw/zinc/09/95/50/1378099550.db2.gz KWYNDSKFKJBILZ-WBVHZDCISA-N 1 0 340.423 3.030 20 10 EGCDRO COc1ccc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC001140621080 1378099711 /nfs/dbraw/zinc/09/97/11/1378099711.db2.gz OCSNUNSDEDFDFF-UHFFFAOYSA-N 1 0 326.440 3.027 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)c1 ZINC001140623775 1378100442 /nfs/dbraw/zinc/10/04/42/1378100442.db2.gz QYEWGYMMQUKQKI-UHFFFAOYSA-N 1 0 332.394 3.297 20 10 EGCDRO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001273769070 1378110361 /nfs/dbraw/zinc/11/03/61/1378110361.db2.gz GPJJVTSZWKMNFJ-RDJZCZTQSA-N 1 0 330.472 3.217 20 10 EGCDRO Cc1ccc([C@]2(C)C[N@H+](Cc3ccc(O)c(C)c3O)CCO2)cc1 ZINC001140748443 1378129129 /nfs/dbraw/zinc/12/91/29/1378129129.db2.gz GPVCAXZIIWZDFA-FQEVSTJZSA-N 1 0 327.424 3.462 20 10 EGCDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140749887 1378129692 /nfs/dbraw/zinc/12/96/92/1378129692.db2.gz PAOULPWQXZCHFA-UHFFFAOYSA-N 1 0 328.412 3.153 20 10 EGCDRO CCNC(=O)OC1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926519 1378183297 /nfs/dbraw/zinc/18/32/97/1378183297.db2.gz NBPMNMJMRJXFDF-UHFFFAOYSA-N 1 0 339.867 3.117 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1c1ccc(F)cc1 ZINC001140957748 1378192816 /nfs/dbraw/zinc/19/28/16/1378192816.db2.gz MLCOBRQDAWLTFL-MSOLQXFVSA-N 1 0 343.398 3.228 20 10 EGCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140271 1378247579 /nfs/dbraw/zinc/24/75/79/1378247579.db2.gz JWKBHORRTMNCOZ-HXUWFJFHSA-N 1 0 346.471 3.071 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141156935 1378252576 /nfs/dbraw/zinc/25/25/76/1378252576.db2.gz YFUUUTKPERHJER-LJQANCHMSA-N 1 0 348.443 3.073 20 10 EGCDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1cc(O)ccc1O ZINC001141156750 1378252672 /nfs/dbraw/zinc/25/26/72/1378252672.db2.gz UAUVXCCIIVAICW-UHFFFAOYSA-N 1 0 326.318 3.186 20 10 EGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141159051 1378253467 /nfs/dbraw/zinc/25/34/67/1378253467.db2.gz XFJPMCSUWIJCRD-SFHVURJKSA-N 1 0 329.396 3.150 20 10 EGCDRO Cc1c(O)cccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001144119109 1378684702 /nfs/dbraw/zinc/68/47/02/1378684702.db2.gz UBXKHFAVGXLJOR-UHFFFAOYSA-N 1 0 326.440 3.169 20 10 EGCDRO C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1c(O)cc(O)cc1O ZINC001144520700 1378740108 /nfs/dbraw/zinc/74/01/08/1378740108.db2.gz ZGXOCBLVKVARLI-UHFFFAOYSA-N 1 0 341.329 3.497 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)c2ccccc2)cc1C ZINC001149989951 1379480153 /nfs/dbraw/zinc/48/01/53/1379480153.db2.gz XRGNVCFTRNHJRR-MRXNPFEDSA-N 1 0 340.467 3.403 20 10 EGCDRO CCc1ncnc(Cl)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156656462 1380605326 /nfs/dbraw/zinc/60/53/26/1380605326.db2.gz UZVUZAXMOLGKQO-UHFFFAOYSA-N 1 0 345.878 3.056 20 10 EGCDRO CSc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001156658192 1380606082 /nfs/dbraw/zinc/60/60/82/1380606082.db2.gz UUSBFDHROAEYMK-UHFFFAOYSA-N 1 0 328.485 3.167 20 10 EGCDRO CC[C@H](C)[C@@H]([NH2+]C)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001157431939 1380890267 /nfs/dbraw/zinc/89/02/67/1380890267.db2.gz BTXIVDFGTXTLKO-LSKLOWJMSA-N 1 0 332.488 3.383 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC001157435010 1380892354 /nfs/dbraw/zinc/89/23/54/1380892354.db2.gz QWAJZHHOMADCMC-GYOIFBIXSA-N 1 0 330.472 3.137 20 10 EGCDRO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001157434616 1380893290 /nfs/dbraw/zinc/89/32/90/1380893290.db2.gz PEZYWFKELACSER-MAUKXSAKSA-N 1 0 332.488 3.383 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001157436108 1380894352 /nfs/dbraw/zinc/89/43/52/1380894352.db2.gz YTQLCPASTLLDGB-GRDNDAEWSA-N 1 0 330.472 3.122 20 10 EGCDRO COc1ccc(CN2CC[NH+](C)CC2)cc1NCc1ccccc1C ZINC001161623688 1382463292 /nfs/dbraw/zinc/46/32/92/1382463292.db2.gz IOTBJYHCJGXJJP-UHFFFAOYSA-N 1 0 339.483 3.363 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC001328659713 1388800058 /nfs/dbraw/zinc/80/00/58/1388800058.db2.gz MUMZCJDVMDBEDK-KBPBESRZSA-N 1 0 337.485 3.053 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C(C)(C)F)CC2)cc1C ZINC001163138500 1382975056 /nfs/dbraw/zinc/97/50/56/1382975056.db2.gz TXOUDGMAAQIPMJ-UHFFFAOYSA-N 1 0 336.451 3.128 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C=C(C)C)CC2)cc1C ZINC001163270277 1383009644 /nfs/dbraw/zinc/00/96/44/1383009644.db2.gz JVHHAMONVNJJRM-UHFFFAOYSA-N 1 0 330.472 3.346 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2(C3CC3)CCC2)cc1C ZINC001163414926 1383047262 /nfs/dbraw/zinc/04/72/62/1383047262.db2.gz IVMBOZDVZLMYMA-UHFFFAOYSA-N 1 0 330.472 3.180 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)c2cccs2)cc1C ZINC001166507983 1383431108 /nfs/dbraw/zinc/43/11/08/1383431108.db2.gz IJJZNARVCQNRQA-HNNXBMFYSA-N 1 0 346.496 3.465 20 10 EGCDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001170409063 1384310340 /nfs/dbraw/zinc/31/03/40/1384310340.db2.gz XJDIOMKKNNPUQI-KRWDZBQOSA-N 1 0 325.408 3.461 20 10 EGCDRO COc1ccc(N2CC[NH+]([C@@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171795539 1384639756 /nfs/dbraw/zinc/63/97/56/1384639756.db2.gz YGKSKRRRQXZKKM-QGZVFWFLSA-N 1 0 326.415 3.124 20 10 EGCDRO CCOc1ccc(N2CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC2)cc1 ZINC001172760860 1384846445 /nfs/dbraw/zinc/84/64/45/1384846445.db2.gz AZYNNVNNZUTHAE-QGZVFWFLSA-N 1 0 348.487 3.328 20 10 EGCDRO Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001172824256 1384858677 /nfs/dbraw/zinc/85/86/77/1384858677.db2.gz SKPZBVPMSWFJTC-OAQYLSRUSA-N 1 0 336.479 3.479 20 10 EGCDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172852808 1384865273 /nfs/dbraw/zinc/86/52/73/1384865273.db2.gz UXPQCCUFCFWTCC-JTQLQIEISA-N 1 0 337.778 3.294 20 10 EGCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccc(O)c(O)c1)CC2 ZINC001172901578 1384874370 /nfs/dbraw/zinc/87/43/70/1384874370.db2.gz NWAOQUAUSZDSDT-INIZCTEOSA-N 1 0 342.395 3.086 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)c2cnco2)cc1C ZINC001174560982 1385119652 /nfs/dbraw/zinc/11/96/52/1385119652.db2.gz IFNKTHBJNISWQK-HNNXBMFYSA-N 1 0 345.443 3.070 20 10 EGCDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC001320072121 1386491549 /nfs/dbraw/zinc/49/15/49/1386491549.db2.gz RWYOFXKOHDRDCT-KBPBESRZSA-N 1 0 327.266 3.117 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC001320208555 1386558140 /nfs/dbraw/zinc/55/81/40/1386558140.db2.gz KLPRQDXYVPGJPJ-FQEVSTJZSA-N 1 0 337.423 3.404 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001320248342 1386562687 /nfs/dbraw/zinc/56/26/87/1386562687.db2.gz TUFPAGJTXOIGOL-WCXIOVBPSA-N 1 0 332.488 3.338 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC001320313584 1386573725 /nfs/dbraw/zinc/57/37/25/1386573725.db2.gz OYDBQYSGGVDROG-UHFFFAOYSA-N 1 0 330.472 3.058 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)NCC(F)(F)F ZINC001320420014 1386605106 /nfs/dbraw/zinc/60/51/06/1386605106.db2.gz JPAQODZQHRRKEW-QWRGUYRKSA-N 1 0 340.345 3.263 20 10 EGCDRO CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001180254179 1386747939 /nfs/dbraw/zinc/74/79/39/1386747939.db2.gz WWEAVNKUUHWXLO-BBRMVZONSA-N 1 0 345.447 3.232 20 10 EGCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001321903512 1387006409 /nfs/dbraw/zinc/00/64/09/1387006409.db2.gz HTERVVLNEPKZQG-XMMPIXPASA-N 1 0 342.508 3.455 20 10 EGCDRO COc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c(O)c1OC ZINC001336673637 1389132532 /nfs/dbraw/zinc/13/25/32/1389132532.db2.gz OSTQWXHZZBULTK-UHFFFAOYSA-N 1 0 343.423 3.495 20 10 EGCDRO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001337000642 1389232342 /nfs/dbraw/zinc/23/23/42/1389232342.db2.gz DGUHOQUQQQEWJS-IBGZPJMESA-N 1 0 341.499 3.025 20 10 EGCDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001337428524 1389341761 /nfs/dbraw/zinc/34/17/61/1389341761.db2.gz FWZZFXBGGMIXTG-LBPRGKRZSA-N 1 0 348.834 3.107 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC001338077421 1389535936 /nfs/dbraw/zinc/53/59/36/1389535936.db2.gz UIZCEPGGBALINX-OAHLLOKOSA-N 1 0 344.499 3.489 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CC[C@H](O)c3ccccc3)CC2)cc1 ZINC001331331218 1389704558 /nfs/dbraw/zinc/70/45/58/1389704558.db2.gz YNNKDJAINFDLBE-NRFANRHFSA-N 1 0 340.467 3.331 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1O ZINC001342935213 1390674760 /nfs/dbraw/zinc/67/47/60/1390674760.db2.gz OMBFFMIAUKOOGR-BDAKNGLRSA-N 1 0 338.757 3.072 20 10 EGCDRO C[NH2+][C@H](C)CCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001345139582 1390840775 /nfs/dbraw/zinc/84/07/75/1390840775.db2.gz AXMLFWDXDJBUAP-MRXNPFEDSA-N 1 0 346.519 3.253 20 10 EGCDRO CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)c(C)cc1O ZINC001347401654 1391069739 /nfs/dbraw/zinc/06/97/39/1391069739.db2.gz SYHZEHRVYRGNFH-KRWDZBQOSA-N 1 0 344.842 3.027 20 10 EGCDRO C[C@@H](CC1CCCCC1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001349138197 1391305873 /nfs/dbraw/zinc/30/58/73/1391305873.db2.gz OPDUDPKASGECAL-HNAYVOBHSA-N 1 0 331.504 3.475 20 10 EGCDRO CCN(C(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001350898013 1391553447 /nfs/dbraw/zinc/55/34/47/1391553447.db2.gz AMBPPIAFSFLPOA-UHFFFAOYSA-N 1 0 337.467 3.430 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cnc(C)s2)cc1C ZINC001700321501 1413787306 /nfs/dbraw/zinc/78/73/06/1413787306.db2.gz GBDYJCFNCHFGSX-ZDUSSCGKSA-N 1 0 347.484 3.067 20 10 EGCDRO COc1ccc(C[NH2+]CC2(NC(=O)C(C)(F)F)CCCC2)cc1C ZINC001753498866 1440422682 /nfs/dbraw/zinc/42/26/82/1440422682.db2.gz AKRHEKSZVJEZSW-UHFFFAOYSA-N 1 0 340.414 3.177 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H]3C=CCCC3)CC2)cc1C ZINC001754518131 1440619191 /nfs/dbraw/zinc/61/91/91/1440619191.db2.gz MRYZDOWORBJIQV-KRWDZBQOSA-N 1 0 342.483 3.488 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CCCF)C2)cc1C ZINC001754797766 1440689879 /nfs/dbraw/zinc/68/98/79/1440689879.db2.gz SWYWTVAMILIJFO-DOTOQJQBSA-N 1 0 336.451 3.080 20 10 EGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824591687 946842816 /nfs/dbraw/zinc/84/28/16/946842816.db2.gz JWTACKHUUZSTQE-NSHDSACASA-N 1 0 346.485 3.156 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1N(C)C ZINC000826266815 947771531 /nfs/dbraw/zinc/77/15/31/947771531.db2.gz CNWKKCHPTOYCLC-AWEZNQCLSA-N 1 0 336.443 3.092 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)ccc1OC ZINC000189003863 1126077663 /nfs/dbraw/zinc/07/76/63/1126077663.db2.gz LHODXOZDSGQZRP-FQEVSTJZSA-N 1 0 343.467 3.233 20 10 EGCDRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000178365905 454951746 /nfs/dbraw/zinc/95/17/46/454951746.db2.gz BKXRHAQAJSUDEI-ZDUSSCGKSA-N 1 0 329.410 3.430 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2=CCCOC2)c1O ZINC000286937967 456056643 /nfs/dbraw/zinc/05/66/43/456056643.db2.gz GSCFNZFCPDQYLT-LLVKDONJSA-N 1 0 326.234 3.460 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(Br)cc1 ZINC000264593635 455244541 /nfs/dbraw/zinc/24/45/41/455244541.db2.gz HMYOMQYTVZCEJN-MRXNPFEDSA-N 1 0 336.229 3.320 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccccc1F)C[C@H]1CCCO1 ZINC000264730250 455271480 /nfs/dbraw/zinc/27/14/80/455271480.db2.gz QWOJCCYEAYPPHI-OXQOHEQNSA-N 1 0 345.414 3.246 20 10 EGCDRO CCN(CC)[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)c1ccco1 ZINC000181256043 455308516 /nfs/dbraw/zinc/30/85/16/455308516.db2.gz INQMZFCUBJWRNH-HNNXBMFYSA-N 1 0 348.443 3.175 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1O ZINC000183589922 455309536 /nfs/dbraw/zinc/30/95/36/455309536.db2.gz DDURDESRZQLRNG-NEPJUHHUSA-N 1 0 332.350 3.127 20 10 EGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069797029 454145906 /nfs/dbraw/zinc/14/59/06/454145906.db2.gz MFXBAXDBQKBIKO-QGZVFWFLSA-N 1 0 340.467 3.090 20 10 EGCDRO C[C@H](c1ccccc1)[N@H+](CCCS(C)(=O)=O)Cc1ccccc1O ZINC000119282381 454183162 /nfs/dbraw/zinc/18/31/62/454183162.db2.gz QPLIVICXKYFJPB-MRXNPFEDSA-N 1 0 347.480 3.390 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090590215 454325611 /nfs/dbraw/zinc/32/56/11/454325611.db2.gz YGAZNIOJVAHBNU-GOEBONIOSA-N 1 0 338.467 3.110 20 10 EGCDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000090661911 454332937 /nfs/dbraw/zinc/33/29/37/454332937.db2.gz XFMSEEKJYSILCC-QGZVFWFLSA-N 1 0 332.488 3.117 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(N(C)C)cc1 ZINC000133250877 454405528 /nfs/dbraw/zinc/40/55/28/454405528.db2.gz RLFBTDUIRAQZMF-HNNXBMFYSA-N 1 0 341.455 3.301 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1C ZINC000092037719 454506399 /nfs/dbraw/zinc/50/63/99/454506399.db2.gz YEJWSDIQHROXSN-CTNGQTDRSA-N 1 0 341.451 3.334 20 10 EGCDRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000134269997 454522254 /nfs/dbraw/zinc/52/22/54/454522254.db2.gz BGRPCMVBQPMBEQ-MLGOLLRUSA-N 1 0 336.863 3.172 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092661791 454605325 /nfs/dbraw/zinc/60/53/25/454605325.db2.gz FEXJIMJHYBGLSU-INIZCTEOSA-N 1 0 325.836 3.206 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccnc1 ZINC000092740579 454622046 /nfs/dbraw/zinc/62/20/46/454622046.db2.gz SZSPFTVDVKFKKY-CQSZACIVSA-N 1 0 329.419 3.033 20 10 EGCDRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N(C)C)cc1 ZINC000123991896 454692757 /nfs/dbraw/zinc/69/27/57/454692757.db2.gz RTKXTZDRVUEHLY-QAPCUYQASA-N 1 0 337.467 3.488 20 10 EGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000093362472 454708749 /nfs/dbraw/zinc/70/87/49/454708749.db2.gz WAKRFICPBWLDIX-KRWDZBQOSA-N 1 0 340.423 3.028 20 10 EGCDRO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc(OC)c1O ZINC000093660479 454727850 /nfs/dbraw/zinc/72/78/50/454727850.db2.gz HCMQEOOFNWNBIZ-UHFFFAOYSA-N 1 0 342.439 3.478 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176640134 454767008 /nfs/dbraw/zinc/76/70/08/454767008.db2.gz FOTJYAYGLGXLCE-DLBZAZTESA-N 1 0 333.476 3.187 20 10 EGCDRO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153977731 454853463 /nfs/dbraw/zinc/85/34/63/454853463.db2.gz DBWBZRQYYYMFQK-GFCCVEGCSA-N 1 0 333.407 3.118 20 10 EGCDRO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235888 454859359 /nfs/dbraw/zinc/85/93/59/454859359.db2.gz JOHGAJHZDYQBLL-MRXNPFEDSA-N 1 0 344.480 3.422 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1F ZINC000184981920 455481793 /nfs/dbraw/zinc/48/17/93/455481793.db2.gz LVOMCAIQVQVOGE-LBPRGKRZSA-N 1 0 334.366 3.059 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000154739977 454925661 /nfs/dbraw/zinc/92/56/61/454925661.db2.gz QANFGVUIJNIZEB-GAJHUEQPSA-N 1 0 333.453 3.000 20 10 EGCDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178222468 454943513 /nfs/dbraw/zinc/94/35/13/454943513.db2.gz YUQWKQJUZDEBMR-OAHLLOKOSA-N 1 0 335.467 3.239 20 10 EGCDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc2ccccc2c1O ZINC000185116215 455504607 /nfs/dbraw/zinc/50/46/07/455504607.db2.gz ZAIDCJYISOGYEJ-OAHLLOKOSA-N 1 0 328.456 3.043 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079900 455498252 /nfs/dbraw/zinc/49/82/52/455498252.db2.gz UBWTZEUJLGOBQD-UGSOOPFHSA-N 1 0 332.419 3.493 20 10 EGCDRO CC[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)N1CCCC1 ZINC000151685288 455017040 /nfs/dbraw/zinc/01/70/40/455017040.db2.gz VKZBAQCAKQBREO-GOSISDBHSA-N 1 0 331.504 3.128 20 10 EGCDRO CC[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000155917025 455062206 /nfs/dbraw/zinc/06/22/06/455062206.db2.gz BQDPYHVLRJZBNO-LBPRGKRZSA-N 1 0 340.349 3.354 20 10 EGCDRO COc1cc(O)c(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1OC ZINC000179838499 455087681 /nfs/dbraw/zinc/08/76/81/455087681.db2.gz KKBFNCIRCHGQRS-MRXNPFEDSA-N 1 0 347.411 3.184 20 10 EGCDRO CCc1cc(N2CCC([NH2+][C@@H](CC)c3ccccc3O)CC2)ncn1 ZINC000156211640 455093017 /nfs/dbraw/zinc/09/30/17/455093017.db2.gz WQUUWVXHKMBMBO-SFHVURJKSA-N 1 0 340.471 3.454 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@](C)(O)c2ccccc2)ccc1OC ZINC000172016153 455109523 /nfs/dbraw/zinc/10/95/23/455109523.db2.gz VNARXMNCONAIOZ-FQEVSTJZSA-N 1 0 329.440 3.229 20 10 EGCDRO CCc1noc(C)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000119057928 455123192 /nfs/dbraw/zinc/12/31/92/455123192.db2.gz UARUDSFRKZTERS-MRXNPFEDSA-N 1 0 330.428 3.432 20 10 EGCDRO Cc1cccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1O ZINC000180324041 455157988 /nfs/dbraw/zinc/15/79/88/455157988.db2.gz MXVLLYNZDDGXLC-UHFFFAOYSA-N 1 0 331.847 3.067 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000180452810 455172952 /nfs/dbraw/zinc/17/29/52/455172952.db2.gz CAGOTDONQDKQOY-HXUWFJFHSA-N 1 0 341.407 3.413 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c(O)c1 ZINC000264388626 455203660 /nfs/dbraw/zinc/20/36/60/455203660.db2.gz RHHKGBVGPFRTLJ-UHFFFAOYSA-N 1 0 325.412 3.427 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000237689383 455208317 /nfs/dbraw/zinc/20/83/17/455208317.db2.gz CPBSKNUPUZZAAP-HNNXBMFYSA-N 1 0 329.419 3.044 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1=O)c1ccccc1O ZINC000183327606 455277946 /nfs/dbraw/zinc/27/79/46/455277946.db2.gz QFPIBBXLUYXEJB-JKSUJKDBSA-N 1 0 340.423 3.247 20 10 EGCDRO C[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O ZINC000183487044 455298661 /nfs/dbraw/zinc/29/86/61/455298661.db2.gz DFDIIFWSZXQMBE-MLGOLLRUSA-N 1 0 325.330 3.493 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000181295378 455315027 /nfs/dbraw/zinc/31/50/27/455315027.db2.gz CSFOHIZRPURVGS-MRXNPFEDSA-N 1 0 329.488 3.244 20 10 EGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000184675575 455425639 /nfs/dbraw/zinc/42/56/39/455425639.db2.gz CYFIQOYDKDOWPC-UHFFFAOYSA-N 1 0 348.830 3.046 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1O ZINC000184744815 455440368 /nfs/dbraw/zinc/44/03/68/455440368.db2.gz FLTOMFYEKATBJA-CYBMUJFWSA-N 1 0 341.835 3.029 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)N2CCOCC2)o1 ZINC000184909335 455470144 /nfs/dbraw/zinc/47/01/44/455470144.db2.gz BCYYTFGLAJCHQK-FUHWJXTLSA-N 1 0 344.455 3.326 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000184973267 455479734 /nfs/dbraw/zinc/47/97/34/455479734.db2.gz DJMWEUFYPMSKMK-CQSZACIVSA-N 1 0 327.428 3.247 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246484595 455498673 /nfs/dbraw/zinc/49/86/73/455498673.db2.gz GTXZDLWDMPPADA-RXVVDRJESA-N 1 0 341.451 3.279 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1O ZINC000185206395 455521356 /nfs/dbraw/zinc/52/13/56/455521356.db2.gz QULXLQUKXKDCKK-HXUWFJFHSA-N 1 0 340.467 3.465 20 10 EGCDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc2ccccc2c1O ZINC000185449883 455559156 /nfs/dbraw/zinc/55/91/56/455559156.db2.gz TUCUBGIXFLMDCE-HNNXBMFYSA-N 1 0 328.456 3.307 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1OC ZINC000182783485 455586011 /nfs/dbraw/zinc/58/60/11/455586011.db2.gz LACDXWGBCWGZIM-MRXNPFEDSA-N 1 0 347.386 3.202 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(N2CCOCC2)c(F)c1 ZINC000271534008 455675332 /nfs/dbraw/zinc/67/53/32/455675332.db2.gz RRZWXBGPGFKJHE-SUMWQHHRSA-N 1 0 344.434 3.114 20 10 EGCDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813804 455714729 /nfs/dbraw/zinc/71/47/29/455714729.db2.gz FPEXOQACVVNVQB-NQIIRXRSSA-N 1 0 345.531 3.174 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCn2cnc3ccccc32)c1 ZINC000192931026 455720734 /nfs/dbraw/zinc/72/07/34/455720734.db2.gz VIRVLHBKJCQRBL-AWEZNQCLSA-N 1 0 325.412 3.491 20 10 EGCDRO COCCC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000268900302 455723282 /nfs/dbraw/zinc/72/32/82/455723282.db2.gz WLSRYAZMVZBKHV-ARFHVFGLSA-N 1 0 338.467 3.344 20 10 EGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000268972667 455748777 /nfs/dbraw/zinc/74/87/77/455748777.db2.gz ZJHJCXOSRWQZIL-BFHYXJOUSA-N 1 0 328.403 3.270 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000186373925 455755358 /nfs/dbraw/zinc/75/53/58/455755358.db2.gz UQMHMVWBRWHKNT-LBPRGKRZSA-N 1 0 337.416 3.176 20 10 EGCDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268991656 455756661 /nfs/dbraw/zinc/75/66/61/455756661.db2.gz RLUSXMYWSNFWMF-RDTXWAMCSA-N 1 0 338.492 3.335 20 10 EGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000186466294 455774502 /nfs/dbraw/zinc/77/45/02/455774502.db2.gz JLKZKKXMQHHNLQ-ZFWWWQNUSA-N 1 0 328.412 3.427 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293107118 455775140 /nfs/dbraw/zinc/77/51/40/455775140.db2.gz YFRUFAHSCDUWRK-UHFFFAOYSA-N 1 0 332.831 3.172 20 10 EGCDRO COCCOCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293273767 455780217 /nfs/dbraw/zinc/78/02/17/455780217.db2.gz CMTWZSYTCYYEMJ-IBGZPJMESA-N 1 0 329.440 3.319 20 10 EGCDRO COC[C@@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293267628 455780250 /nfs/dbraw/zinc/78/02/50/455780250.db2.gz CFIXYZQKZLSTKL-IEBWSBKVSA-N 1 0 329.440 3.053 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cc1F ZINC000293693701 455794305 /nfs/dbraw/zinc/79/43/05/455794305.db2.gz QVYAEENOGQTDIL-SFHVURJKSA-N 1 0 331.435 3.136 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000293710454 455794595 /nfs/dbraw/zinc/79/45/95/455794595.db2.gz LWOKZONABGUANC-OAHLLOKOSA-N 1 0 333.453 3.134 20 10 EGCDRO C=Cn1cc(C[N@@H+](CC)Cc2cc(Br)ccc2O)cn1 ZINC000194052469 455795892 /nfs/dbraw/zinc/79/58/92/455795892.db2.gz TUNDANBRCSQLAG-UHFFFAOYSA-N 1 0 336.233 3.474 20 10 EGCDRO OCCOCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294322204 455811616 /nfs/dbraw/zinc/81/16/16/455811616.db2.gz OKYHFEZFGRXDEW-LJQANCHMSA-N 1 0 329.440 3.055 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1F ZINC000294721995 455825306 /nfs/dbraw/zinc/82/53/06/455825306.db2.gz FPARWFZYXRBQTA-UHFFFAOYSA-N 1 0 341.430 3.155 20 10 EGCDRO CC(C)[N@H+](CC(=O)Nc1nccs1)Cc1ccc(N(C)C)cc1 ZINC000269452295 455848254 /nfs/dbraw/zinc/84/82/54/455848254.db2.gz GJLXMYJUYFDPEM-UHFFFAOYSA-N 1 0 332.473 3.058 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(-n3ccnc3)nc2)C2CC2)cc1 ZINC000269540227 455849257 /nfs/dbraw/zinc/84/92/57/455849257.db2.gz UYHMZPQDHKMHIQ-UHFFFAOYSA-N 1 0 347.466 3.498 20 10 EGCDRO CCC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](O)c1ccccc1 ZINC000279615356 455869462 /nfs/dbraw/zinc/86/94/62/455869462.db2.gz GDOOGUAOUJWCRP-OXJNMPFZSA-N 1 0 345.439 3.401 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@@H](C[NH+](C)C)C2)c(C(F)(F)F)c1 ZINC000280093073 455890065 /nfs/dbraw/zinc/89/00/65/455890065.db2.gz AXSDTSCPZTUZKY-ZDUSSCGKSA-N 1 0 329.410 3.155 20 10 EGCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296657097 456002641 /nfs/dbraw/zinc/00/26/41/456002641.db2.gz DTHMWFFQNDISPI-DNVCBOLYSA-N 1 0 346.496 3.014 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000280689208 456032158 /nfs/dbraw/zinc/03/21/58/456032158.db2.gz VPBDWRDFWFWMAF-JKSUJKDBSA-N 1 0 346.393 3.055 20 10 EGCDRO COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000287703510 456076196 /nfs/dbraw/zinc/07/61/96/456076196.db2.gz XEVOIWBHQXHTRC-LBPRGKRZSA-N 1 0 330.384 3.430 20 10 EGCDRO C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000288098303 456087417 /nfs/dbraw/zinc/08/74/17/456087417.db2.gz UKFZMKQREZNAPE-HNNXBMFYSA-N 1 0 333.476 3.187 20 10 EGCDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271063843 456116666 /nfs/dbraw/zinc/11/66/66/456116666.db2.gz HRMMFUMUIWTEGW-IBGZPJMESA-N 1 0 336.435 3.302 20 10 EGCDRO Cc1cn[nH]c1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000289521943 456128612 /nfs/dbraw/zinc/12/86/12/456128612.db2.gz NVIZREIVSUXJAM-CYBMUJFWSA-N 1 0 336.386 3.078 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000289548777 456130044 /nfs/dbraw/zinc/13/00/44/456130044.db2.gz XMNSPLAOLASEBE-INIZCTEOSA-N 1 0 336.229 3.368 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCOC1 ZINC000281096636 456132698 /nfs/dbraw/zinc/13/26/98/456132698.db2.gz ADGRZWRAVNDILI-QAPCUYQASA-N 1 0 327.424 3.486 20 10 EGCDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000289976700 456202678 /nfs/dbraw/zinc/20/26/78/456202678.db2.gz XRKXPQQHVVKLAW-CQSZACIVSA-N 1 0 334.460 3.405 20 10 EGCDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2=O)cc1 ZINC000189080152 456220861 /nfs/dbraw/zinc/22/08/61/456220861.db2.gz AKBODNNYKMATIF-QFBILLFUSA-N 1 0 338.451 3.461 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273304892 456222576 /nfs/dbraw/zinc/22/25/76/456222576.db2.gz CJXMCWCIZMDBEZ-LBPRGKRZSA-N 1 0 336.819 3.317 20 10 EGCDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000189094057 456224086 /nfs/dbraw/zinc/22/40/86/456224086.db2.gz VFOBBBSELDHJLQ-APWZRJJASA-N 1 0 338.451 3.461 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273363780 456225903 /nfs/dbraw/zinc/22/59/03/456225903.db2.gz DPLCVRZCPHVLCB-ZFWWWQNUSA-N 1 0 333.403 3.042 20 10 EGCDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000237066128 456226371 /nfs/dbraw/zinc/22/63/71/456226371.db2.gz VRLLPWOHAQASIH-GOSISDBHSA-N 1 0 339.483 3.474 20 10 EGCDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000273393797 456227532 /nfs/dbraw/zinc/22/75/32/456227532.db2.gz LKIBHMBCBZPCEE-OAHLLOKOSA-N 1 0 342.439 3.066 20 10 EGCDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(Br)cc1O ZINC000273467826 456233112 /nfs/dbraw/zinc/23/31/12/456233112.db2.gz JFXKTDDGBOEMOQ-CPCISQLKSA-N 1 0 342.155 3.119 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cc(OC)cc(OC)c2)c1 ZINC000273479099 456233217 /nfs/dbraw/zinc/23/32/17/456233217.db2.gz LPYLLBZSLMNAGO-CYBMUJFWSA-N 1 0 347.411 3.148 20 10 EGCDRO CCN(Cc1cc(Br)ccc1O)[C@H](C)c1noc(C)n1 ZINC000290080118 456234490 /nfs/dbraw/zinc/23/44/90/456234490.db2.gz UZOPZOHBEBVNAY-SECBINFHSA-N 1 0 340.221 3.429 20 10 EGCDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273580525 456239333 /nfs/dbraw/zinc/23/93/33/456239333.db2.gz MNZLAXXMTXMLBL-HNNXBMFYSA-N 1 0 342.439 3.098 20 10 EGCDRO CCOC(=O)CC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000273776182 456245350 /nfs/dbraw/zinc/24/53/50/456245350.db2.gz RVAODPAWSCZHJI-UHFFFAOYSA-N 1 0 341.835 3.219 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000290176911 456259470 /nfs/dbraw/zinc/25/94/70/456259470.db2.gz NKNAPHKVPZMAPM-FQEVSTJZSA-N 1 0 329.415 3.267 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000297869635 456312810 /nfs/dbraw/zinc/31/28/10/456312810.db2.gz UOGVCHSNNGZBRR-WMLDXEAASA-N 1 0 337.341 3.419 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CN(C(C)=O)C2CC2)c(O)c1 ZINC000275796777 456316741 /nfs/dbraw/zinc/31/67/41/456316741.db2.gz SNVKEJONFDXQNC-GOSISDBHSA-N 1 0 346.471 3.156 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000290827070 456439627 /nfs/dbraw/zinc/43/96/27/456439627.db2.gz XKBORRVWRBFPSI-ZDUSSCGKSA-N 1 0 338.448 3.184 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1O ZINC000282364176 456490111 /nfs/dbraw/zinc/49/01/11/456490111.db2.gz HXCCFRKBTQYYAH-HOCLYGCPSA-N 1 0 325.412 3.349 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291073752 456518858 /nfs/dbraw/zinc/51/88/58/456518858.db2.gz MFGKQXIUGLKBGW-HNNXBMFYSA-N 1 0 339.439 3.471 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276945371 456627444 /nfs/dbraw/zinc/62/74/44/456627444.db2.gz USMGWRAJWCPSLH-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@]1=O ZINC000277447506 456829003 /nfs/dbraw/zinc/82/90/03/456829003.db2.gz JRCMPJISYAKXAX-NPMXOYFQSA-N 1 0 329.465 3.402 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000373907303 457394224 /nfs/dbraw/zinc/39/42/24/457394224.db2.gz FZMIXPCIPWTPTJ-OAHLLOKOSA-N 1 0 343.383 3.350 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(OCC3CC3)CC2)c1O ZINC000363912515 457463170 /nfs/dbraw/zinc/46/31/70/457463170.db2.gz YBZKBNKACHXKKO-UHFFFAOYSA-N 1 0 325.836 3.445 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000369100815 458081736 /nfs/dbraw/zinc/08/17/36/458081736.db2.gz QDWJJXLYXGFCFJ-QRWLVFNGSA-N 1 0 327.424 3.315 20 10 EGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000369100813 458082384 /nfs/dbraw/zinc/08/23/84/458082384.db2.gz QDWJJXLYXGFCFJ-MGPUTAFESA-N 1 0 327.424 3.315 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c1O ZINC000372603501 458308949 /nfs/dbraw/zinc/30/89/49/458308949.db2.gz ZXNOZMLKCUDLAM-SFHVURJKSA-N 1 0 326.440 3.107 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]C[C@H]2COCCN2)c(O)c(C(C)(C)C)c1 ZINC000530247666 458730709 /nfs/dbraw/zinc/73/07/09/458730709.db2.gz YFEKINGPDCGTAP-INIZCTEOSA-N 1 0 334.504 3.065 20 10 EGCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2c(C)c3ccccc3n2C)C[C@@H]1C ZINC000472222348 458775160 /nfs/dbraw/zinc/77/51/60/458775160.db2.gz HWJGDGSIEDFYLG-GJZGRUSLSA-N 1 0 342.487 3.111 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1C[NH+](C)C ZINC000487548996 459530785 /nfs/dbraw/zinc/53/07/85/459530785.db2.gz FANLWEASZZOUHA-UHFFFAOYSA-N 1 0 335.451 3.478 20 10 EGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCN(CC2CC2)c2ccccc21 ZINC000662748448 461363247 /nfs/dbraw/zinc/36/32/47/461363247.db2.gz USBOCABOPLEZMX-UHFFFAOYSA-N 1 0 347.462 3.209 20 10 EGCDRO COC(=O)c1coc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000726691583 574566914 /nfs/dbraw/zinc/56/69/14/574566914.db2.gz GEPJXJBUZXIYPE-UHFFFAOYSA-N 1 0 328.412 3.297 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1cc(OC)ccc1OC ZINC000727830723 574692886 /nfs/dbraw/zinc/69/28/86/574692886.db2.gz JUNSQAUKVJKTJO-IBGZPJMESA-N 1 0 345.439 3.355 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731020304 575045020 /nfs/dbraw/zinc/04/50/20/575045020.db2.gz QSPSEDIEVXEATO-INIZCTEOSA-N 1 0 343.496 3.370 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000731018448 575045166 /nfs/dbraw/zinc/04/51/66/575045166.db2.gz SXOSJIZDSLJNAD-LJQANCHMSA-N 1 0 337.467 3.308 20 10 EGCDRO O=C(C1CCC1)N(CCC[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000731361112 575068130 /nfs/dbraw/zinc/06/81/30/575068130.db2.gz TXAWNPUUECDYRW-UHFFFAOYSA-N 1 0 336.863 3.316 20 10 EGCDRO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000733328199 575328199 /nfs/dbraw/zinc/32/81/99/575328199.db2.gz KRLOJMDVTCUWSQ-UHFFFAOYSA-N 1 0 348.874 3.318 20 10 EGCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000733329192 575328465 /nfs/dbraw/zinc/32/84/65/575328465.db2.gz OZKFYBDRGFIXOR-HNNXBMFYSA-N 1 0 348.512 3.315 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000734471657 575496807 /nfs/dbraw/zinc/49/68/07/575496807.db2.gz SNUNRFUMNHUWTC-IBGZPJMESA-N 1 0 331.504 3.188 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000734687961 575537261 /nfs/dbraw/zinc/53/72/61/575537261.db2.gz ZVHIZCOPIFOJMH-UHFFFAOYSA-N 1 0 346.519 3.173 20 10 EGCDRO CCOCc1cc(C[NH2+][C@](C)(CO)c2ccccc2)ccc1OC ZINC000734844080 575559472 /nfs/dbraw/zinc/55/94/72/575559472.db2.gz TXWQRNAEBMDKIV-HXUWFJFHSA-N 1 0 329.440 3.229 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC[S@](C)=O)cc1 ZINC000735085253 575601615 /nfs/dbraw/zinc/60/16/15/575601615.db2.gz NPVGRXIINGJCAA-QHCPKHFHSA-N 1 0 330.497 3.181 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741257814 576669429 /nfs/dbraw/zinc/66/94/29/576669429.db2.gz ZJPONUNUKLBDSF-LAUBAEHRSA-N 1 0 340.467 3.080 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000741754729 576717429 /nfs/dbraw/zinc/71/74/29/576717429.db2.gz WNDPNXOMKRYMKD-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000741754888 576717491 /nfs/dbraw/zinc/71/74/91/576717491.db2.gz ZVSDJGZQQHHCKD-UEXGIBASSA-N 1 0 345.531 3.216 20 10 EGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000743498742 576810478 /nfs/dbraw/zinc/81/04/78/576810478.db2.gz FGULZCNYDVRVOV-GWCFXTLKSA-N 1 0 346.265 3.050 20 10 EGCDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743608468 576813148 /nfs/dbraw/zinc/81/31/48/576813148.db2.gz FMEPJJXQUANPNN-KRWDZBQOSA-N 1 0 346.475 3.159 20 10 EGCDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000744795866 576834631 /nfs/dbraw/zinc/83/46/31/576834631.db2.gz OEEORBBCQUQDJN-MRXNPFEDSA-N 1 0 339.483 3.474 20 10 EGCDRO CCc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000691433822 1298133940 /nfs/dbraw/zinc/13/39/40/1298133940.db2.gz JRRSTTWESAYYIU-UHFFFAOYSA-N 1 0 334.460 3.444 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000691678518 1298135509 /nfs/dbraw/zinc/13/55/09/1298135509.db2.gz PBDPCPLOTFZYCA-UHFFFAOYSA-N 1 0 326.234 3.157 20 10 EGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000775178203 1303919800 /nfs/dbraw/zinc/91/98/00/1303919800.db2.gz RQZUITUAXGYZPI-HNNXBMFYSA-N 1 0 328.250 3.282 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000769929251 1303194369 /nfs/dbraw/zinc/19/43/69/1303194369.db2.gz XQYRASCCJYJKDM-UHFFFAOYSA-N 1 0 334.213 3.475 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(C)cc1O ZINC000794804532 1309598831 /nfs/dbraw/zinc/59/88/31/1309598831.db2.gz UQURUAGNSRYDTK-YJBOKZPZSA-N 1 0 333.403 3.320 20 10 EGCDRO C[N@H+](CCCN1CCCC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000064508054 1292059978 /nfs/dbraw/zinc/05/99/78/1292059978.db2.gz MUZGGYCPIFIYHU-UHFFFAOYSA-N 1 0 329.488 3.121 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc1)C1CCCCC1 ZINC000827821033 1292381201 /nfs/dbraw/zinc/38/12/01/1292381201.db2.gz MPWSLLNPXXLREO-INIZCTEOSA-N 1 0 339.430 3.054 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc1)C1CCCCC1 ZINC000827821034 1292381270 /nfs/dbraw/zinc/38/12/70/1292381270.db2.gz MPWSLLNPXXLREO-MRXNPFEDSA-N 1 0 339.430 3.054 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)cc2)CC1 ZINC000076275591 1292423755 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3.236 20 10 EGCDRO Cc1cc(O)c(CN2CC[NH+](C3CCOCC3)CC2)cc1C(C)C ZINC000083114855 1292679231 /nfs/dbraw/zinc/67/92/31/1292679231.db2.gz FKIQPKOWZXGAKR-UHFFFAOYSA-N 1 0 332.488 3.121 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085424474 1292721324 /nfs/dbraw/zinc/72/13/24/1292721324.db2.gz DGZZUNCWGQKVGV-INIZCTEOSA-N 1 0 348.535 3.260 20 10 EGCDRO C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]([NH3+])c1ccccc1 ZINC000830597431 1292739448 /nfs/dbraw/zinc/73/94/48/1292739448.db2.gz IIJVZPUOPYUVIY-VBKZILBWSA-N 1 0 338.451 3.223 20 10 EGCDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(N)cc1 ZINC000831412748 1292857926 /nfs/dbraw/zinc/85/79/26/1292857926.db2.gz WZSJHRNCWVZFHO-UHFFFAOYSA-N 1 0 345.874 3.055 20 10 EGCDRO C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Br)c1[O-] ZINC000093660074 1292928111 /nfs/dbraw/zinc/92/81/11/1292928111.db2.gz TWFKFNRZXMLEOS-AWEZNQCLSA-N 1 0 341.293 3.461 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)c1O ZINC000093811171 1292933409 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COc1cccc(C[NH+]2CCN(Cc3cccc(C)c3)CC2)c1O ZINC000162726298 1294320892 /nfs/dbraw/zinc/32/08/92/1294320892.db2.gz PMZXGJWPBLDRJN-UHFFFAOYSA-N 1 0 326.440 3.027 20 10 EGCDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000165035270 1294355791 /nfs/dbraw/zinc/35/57/91/1294355791.db2.gz CTZGAHJVMLDTKD-HNNXBMFYSA-N 1 0 335.444 3.313 20 10 EGCDRO COCCCN(C)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000166708123 1294363859 /nfs/dbraw/zinc/36/38/59/1294363859.db2.gz SBALUYGTVMYYNU-GOSISDBHSA-N 1 0 333.520 3.296 20 10 EGCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177354167 1294666798 /nfs/dbraw/zinc/66/67/98/1294666798.db2.gz NHYPMMAWPUGJPT-AWEZNQCLSA-N 1 0 338.879 3.412 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c(C)n1-c1ccc(Cl)cc1 ZINC000179044726 1294770079 /nfs/dbraw/zinc/77/00/79/1294770079.db2.gz YIUDGDYUNSKORZ-INIZCTEOSA-N 1 0 331.847 3.181 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000179635350 1294810182 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C[C@@H]([NH2+]CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC000183402983 1295117356 /nfs/dbraw/zinc/11/73/56/1295117356.db2.gz UBSZHQOJWWNAEK-MRXNPFEDSA-N 1 0 343.446 3.004 20 10 EGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cc(F)ccc1O ZINC000184865374 1295224642 /nfs/dbraw/zinc/22/46/42/1295224642.db2.gz JNHALEBPXBVYEN-QMMMGPOBSA-N 1 0 342.292 3.238 20 10 EGCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000185191728 1295246803 /nfs/dbraw/zinc/24/68/03/1295246803.db2.gz RWYGYMXEMWSYLE-PMACEKPBSA-N 1 0 332.488 3.207 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@@H](C)N1CCOCC1 ZINC000185376164 1295260066 /nfs/dbraw/zinc/26/00/66/1295260066.db2.gz YBXKXJZZBCYSKH-OWCLPIDISA-N 1 0 332.488 3.031 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000185660739 1295277812 /nfs/dbraw/zinc/27/78/12/1295277812.db2.gz FYQQSIXJFBRZFZ-NSHDSACASA-N 1 0 326.412 3.485 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)c1 ZINC000186148998 1295307968 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CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(C[NH3+])o1 ZINC000237219883 1296229387 /nfs/dbraw/zinc/22/93/87/1296229387.db2.gz GRJVEVMZYRZOCY-UHFFFAOYSA-N 1 0 327.428 3.001 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c(C)n1-c1ccccn1 ZINC000237756210 1296263394 /nfs/dbraw/zinc/26/33/94/1296263394.db2.gz QRSUOWQJSDJVPA-SFHVURJKSA-N 1 0 340.471 3.127 20 10 EGCDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(Cl)nc2)C1 ZINC000255884051 1296575137 /nfs/dbraw/zinc/57/51/37/1296575137.db2.gz BJISIHASYODDMO-SIJIIQCFSA-N 1 0 341.842 3.268 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000872136100 1296760284 /nfs/dbraw/zinc/76/02/84/1296760284.db2.gz JLPLLEXNNSZXNJ-WTOJCKNJSA-N 1 0 331.412 3.182 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000302983638 1296812696 /nfs/dbraw/zinc/81/26/96/1296812696.db2.gz UQCBUVYZLFITGA-UHFFFAOYSA-N 1 0 332.488 3.456 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Br)ccc1O ZINC000311507901 1297109172 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C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000708570991 1298241917 /nfs/dbraw/zinc/24/19/17/1298241917.db2.gz QVQOBWXBGNOEHN-WBVHZDCISA-N 1 0 338.455 3.158 20 10 EGCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C12CCC2 ZINC000713473765 1298270972 /nfs/dbraw/zinc/27/09/72/1298270972.db2.gz CUTHIUXXMOZZES-KBPBESRZSA-N 1 0 326.234 3.202 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000713534779 1298271245 /nfs/dbraw/zinc/27/12/45/1298271245.db2.gz BFVAIXSYXQFUHB-YUELXQCFSA-N 1 0 338.245 3.202 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000716178742 1298294372 /nfs/dbraw/zinc/29/43/72/1298294372.db2.gz PQMMOGNVDZABDC-WBVHZDCISA-N 1 0 326.440 3.326 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000875338568 1298301622 /nfs/dbraw/zinc/30/16/22/1298301622.db2.gz SHOVTBLFGNGSBW-UHFFFAOYSA-N 1 0 345.487 3.297 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000724951456 1298350387 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RQTCFDSIVLDVPU-UHFFFAOYSA-N 1 0 337.322 3.321 20 10 EGCDRO CCO[C@@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877084950 1299150760 /nfs/dbraw/zinc/15/07/60/1299150760.db2.gz SLHHJNBPARIIFZ-FQEVSTJZSA-N 1 0 334.504 3.189 20 10 EGCDRO COC1CCC(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877337262 1299251880 /nfs/dbraw/zinc/25/18/80/1299251880.db2.gz STHGJPIOBFAEIW-UHFFFAOYSA-N 1 0 346.515 3.333 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749799231 1299274172 /nfs/dbraw/zinc/27/41/72/1299274172.db2.gz VDPNRWFQAHJGHQ-HZPDHXFCSA-N 1 0 327.424 3.412 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c(O)c1 ZINC000877425728 1299291112 /nfs/dbraw/zinc/29/11/12/1299291112.db2.gz FMYGCNDKNSCCRE-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CCC([C@@H]4CCCO4)CC3)cc2)CC1 ZINC000877463160 1299316725 /nfs/dbraw/zinc/31/67/25/1299316725.db2.gz CEIGQJIBZCVCRX-NRFANRHFSA-N 1 0 344.499 3.039 20 10 EGCDRO Cc1ccc([C@H]([NH2+]Cc2ccc(C)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000877496243 1299347926 /nfs/dbraw/zinc/34/79/26/1299347926.db2.gz OHNWXCKJTNAJJO-HNAYVOBHSA-N 1 0 347.480 3.273 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000877589161 1299417127 /nfs/dbraw/zinc/41/71/27/1299417127.db2.gz IHLPCRQHRFCDPX-HXUWFJFHSA-N 1 0 339.391 3.011 20 10 EGCDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877611363 1299430413 /nfs/dbraw/zinc/43/04/13/1299430413.db2.gz PUZZAOZABVRJQD-XLIONFOSSA-N 1 0 332.488 3.037 20 10 EGCDRO Nc1c(Cl)cccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877637664 1299446806 /nfs/dbraw/zinc/44/68/06/1299446806.db2.gz YRNAUCOPDBIAAS-UHFFFAOYSA-N 1 0 345.874 3.173 20 10 EGCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)OCc1ccccc1 ZINC000877750417 1299526231 /nfs/dbraw/zinc/52/62/31/1299526231.db2.gz FVPBHCXWJJIVIG-UHFFFAOYSA-N 1 0 340.423 3.283 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000877755536 1299530755 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COc1cc(C)cc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c1O ZINC000754740506 1300205756 /nfs/dbraw/zinc/20/57/56/1300205756.db2.gz UJJFPWZKPHXVGE-UHFFFAOYSA-N 1 0 348.393 3.310 20 10 EGCDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000755057135 1300274235 /nfs/dbraw/zinc/27/42/35/1300274235.db2.gz XYJSJQCJOMLWRG-IEBWSBKVSA-N 1 0 331.504 3.317 20 10 EGCDRO C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756342871 1300472110 /nfs/dbraw/zinc/47/21/10/1300472110.db2.gz MQTJLJCSOLWOAY-SECBINFHSA-N 1 0 335.673 3.410 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(Br)cc1O ZINC000756382123 1300480205 /nfs/dbraw/zinc/48/02/05/1300480205.db2.gz RCPXHKBSKBQNJX-RNCFNFMXSA-N 1 0 326.190 3.132 20 10 EGCDRO CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756396977 1300482741 /nfs/dbraw/zinc/48/27/41/1300482741.db2.gz QXNCEIAXSFUYIM-XHDPSFHLSA-N 1 0 328.387 3.229 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCCC2)c2c1c(F)ccc2O ZINC000756507587 1300510708 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20 10 EGCDRO C[C@H]([NH2+]CCCNc1ncccn1)c1cc2c(cc1O)CCCC2 ZINC000756643110 1300539910 /nfs/dbraw/zinc/53/99/10/1300539910.db2.gz RKUUZUJYIYEQHZ-AWEZNQCLSA-N 1 0 326.444 3.214 20 10 EGCDRO C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cc(F)ccc1O ZINC000756708171 1300550731 /nfs/dbraw/zinc/55/07/31/1300550731.db2.gz NVCVOBXUXLVPIG-ZDUSSCGKSA-N 1 0 334.435 3.363 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756737230 1300556799 /nfs/dbraw/zinc/55/67/99/1300556799.db2.gz LKIGJOJDJAYZQE-JSGCOSHPSA-N 1 0 346.402 3.391 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c2c1c(F)ccc2O ZINC000756770737 1300563850 /nfs/dbraw/zinc/56/38/50/1300563850.db2.gz MHMTYSCUBOUNNX-BSXOQXRQSA-N 1 0 345.414 3.154 20 10 EGCDRO COC1CCN(c2ccc(C[NH+]3CCC(C(C)(C)O)CC3)cc2)CC1 ZINC000879628264 1300636424 /nfs/dbraw/zinc/63/64/24/1300636424.db2.gz NTAIAOSSMTZEIZ-UHFFFAOYSA-N 1 0 346.515 3.285 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000757940674 1300760630 /nfs/dbraw/zinc/76/06/30/1300760630.db2.gz ARITYLANNWAAQG-UHFFFAOYSA-N 1 0 337.467 3.109 20 10 EGCDRO OC[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)C[C@H]1c1ccc(F)cc1 ZINC000758528158 1300904609 /nfs/dbraw/zinc/90/46/09/1300904609.db2.gz KAPOQTGQKOEHMC-FUHWJXTLSA-N 1 0 335.806 3.441 20 10 EGCDRO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](CO)c1ccccc1 ZINC000880461674 1301127774 /nfs/dbraw/zinc/12/77/74/1301127774.db2.gz MIDMTISQMIMYNO-SFHVURJKSA-N 1 0 331.387 3.289 20 10 EGCDRO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000759785149 1301161224 /nfs/dbraw/zinc/16/12/24/1301161224.db2.gz RATHRSWUZSVUBM-UHFFFAOYSA-N 1 0 335.492 3.488 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1O ZINC000760040926 1301212159 /nfs/dbraw/zinc/21/21/59/1301212159.db2.gz MXCVNCWZHCJRGR-WILYLXEWSA-N 1 0 333.378 3.487 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3cccnn3)CC2)c2c1c(F)ccc2O ZINC000760048220 1301214092 /nfs/dbraw/zinc/21/40/92/1301214092.db2.gz RRTQIRYFJUTOTG-SWLSCSKDSA-N 1 0 342.418 3.128 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)c1O ZINC000761194313 1301418552 /nfs/dbraw/zinc/41/85/52/1301418552.db2.gz YHIVEONXQJEQAW-NSHDSACASA-N 1 0 337.807 3.125 20 10 EGCDRO CCOC(=O)c1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000761221999 1301423507 /nfs/dbraw/zinc/42/35/07/1301423507.db2.gz HDGDRNZZDXMTIR-UHFFFAOYSA-N 1 0 346.427 3.033 20 10 EGCDRO CS/C=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761980501 1301581096 /nfs/dbraw/zinc/58/10/96/1301581096.db2.gz CMMUSDUOAJCOMP-IQCBXXCUSA-N 1 0 340.876 3.003 20 10 EGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCN1CC(F)(F)F ZINC000762511337 1301695730 /nfs/dbraw/zinc/69/57/30/1301695730.db2.gz YXMJDBNTSIMXOS-LBPRGKRZSA-N 1 0 339.361 3.009 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c1O ZINC000763389982 1301890854 /nfs/dbraw/zinc/89/08/54/1301890854.db2.gz HGCSQSUUGLOTAR-LJQANCHMSA-N 1 0 342.508 3.408 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccsc3[N+](=O)[O-])cc2)CC1 ZINC000882879841 1302145603 /nfs/dbraw/zinc/14/56/03/1302145603.db2.gz PKYYIQCBTAPYBF-UHFFFAOYSA-N 1 0 332.429 3.020 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(N(C)C)cc1 ZINC000765351840 1302251068 /nfs/dbraw/zinc/25/10/68/1302251068.db2.gz UJALKRJBGUOTLB-HNNXBMFYSA-N 1 0 337.467 3.496 20 10 EGCDRO C[C@H](COCC1CC1)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883158466 1302276789 /nfs/dbraw/zinc/27/67/89/1302276789.db2.gz HCSUXOPXNLUJSV-SECBINFHSA-N 1 0 332.213 3.199 20 10 EGCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765631902 1302292190 /nfs/dbraw/zinc/29/21/90/1302292190.db2.gz TZMAHWDCUZJWGK-KBPBESRZSA-N 1 0 326.868 3.252 20 10 EGCDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000765729523 1302315052 /nfs/dbraw/zinc/31/50/52/1302315052.db2.gz TXZOEAALDHIXNN-MSOLQXFVSA-N 1 0 331.504 3.048 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000765733732 1302315234 /nfs/dbraw/zinc/31/52/34/1302315234.db2.gz QUHKCJZYRYBBPH-RBUKOAKNSA-N 1 0 345.531 3.438 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnccn1 ZINC000765994733 1302364392 /nfs/dbraw/zinc/36/43/92/1302364392.db2.gz RNUDUMHDVHIIKN-BBRMVZONSA-N 1 0 346.862 3.151 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000766606606 1302485871 /nfs/dbraw/zinc/48/58/71/1302485871.db2.gz OQGNIVXEOBBPQB-YYWHXJBOSA-N 1 0 345.531 3.437 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCCc2ccccc2)cc1 ZINC000884010903 1302695402 /nfs/dbraw/zinc/69/54/02/1302695402.db2.gz OKHBUVGFLQESNR-FQEVSTJZSA-N 1 0 339.483 3.282 20 10 EGCDRO CCOc1ccc(C[N@H+](C)CCOc2ccc(OC)cc2)c(O)c1 ZINC000768199764 1302852196 /nfs/dbraw/zinc/85/21/96/1302852196.db2.gz YJDKIZZCGCHFAW-UHFFFAOYSA-N 1 0 331.412 3.310 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c1 ZINC000768236934 1302863230 /nfs/dbraw/zinc/86/32/30/1302863230.db2.gz MXBBUGKYBVLUAC-GOSISDBHSA-N 1 0 325.408 3.408 20 10 EGCDRO COc1cccc(O)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768336756 1302882325 /nfs/dbraw/zinc/88/23/25/1302882325.db2.gz MPLPIVFGHMNWOR-UHFFFAOYSA-N 1 0 328.368 3.474 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)c(O)cc1C ZINC000768438624 1302901576 /nfs/dbraw/zinc/90/15/76/1302901576.db2.gz WBUHZLXNGBGVAA-UHFFFAOYSA-N 1 0 330.403 3.171 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1CCc1ccccc1)[C@@H](O)CO2 ZINC000768442152 1302904514 /nfs/dbraw/zinc/90/45/14/1302904514.db2.gz JRVJFEPIUYELCM-PXNSSMCTSA-N 1 0 339.435 3.415 20 10 EGCDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445729 1302907404 /nfs/dbraw/zinc/90/74/04/1302907404.db2.gz IVCKTCQNFUZTAH-IEBWSBKVSA-N 1 0 325.408 3.327 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCc3c(Cl)cccc3C1)[C@@H](O)CO2 ZINC000768448693 1302909820 /nfs/dbraw/zinc/90/98/20/1302909820.db2.gz WIOOPVFEBPALFF-KRWDZBQOSA-N 1 0 331.799 3.030 20 10 EGCDRO CC1(c2ccccc2)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768462136 1302911232 /nfs/dbraw/zinc/91/12/32/1302911232.db2.gz JWLMTOHINMXKBH-LJQANCHMSA-N 1 0 339.435 3.372 20 10 EGCDRO CC1CC[NH+](CCN(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000768541557 1302930379 /nfs/dbraw/zinc/93/03/79/1302930379.db2.gz IXHKWHGWTNISMK-LJQANCHMSA-N 1 0 332.488 3.105 20 10 EGCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000768589779 1302940515 /nfs/dbraw/zinc/94/05/15/1302940515.db2.gz XWDDXMRTWZDKLX-BHIYHBOVSA-N 1 0 343.515 3.304 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000769382916 1303102858 /nfs/dbraw/zinc/10/28/58/1303102858.db2.gz YUTGSZKAWOLPSQ-CVEARBPZSA-N 1 0 330.394 3.420 20 10 EGCDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1c(O)cccc1Cl ZINC000769401619 1303107088 /nfs/dbraw/zinc/10/70/88/1303107088.db2.gz NADLTOKTOHNBMD-LLVKDONJSA-N 1 0 328.840 3.391 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1O ZINC000769515391 1303133107 /nfs/dbraw/zinc/13/31/07/1303133107.db2.gz PQOABBXOTKJQTH-NSHDSACASA-N 1 0 326.234 3.395 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000769675516 1303156281 /nfs/dbraw/zinc/15/62/81/1303156281.db2.gz XCXOYELRYLDDJD-UHFFFAOYSA-N 1 0 331.504 3.366 20 10 EGCDRO C[NH+]1CCN(Cc2cccc(NCc3c(O)cccc3Cl)c2)CC1 ZINC000770404420 1303263098 /nfs/dbraw/zinc/26/30/98/1303263098.db2.gz NGOBSNGRBJVGBU-UHFFFAOYSA-N 1 0 345.874 3.405 20 10 EGCDRO Oc1ccccc1C[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000770509557 1303279209 /nfs/dbraw/zinc/27/92/09/1303279209.db2.gz OEJIMUQPMMMUOC-UHFFFAOYSA-N 1 0 346.858 3.242 20 10 EGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885961208 1303299227 /nfs/dbraw/zinc/29/92/27/1303299227.db2.gz VQRCUXMMXNJMHH-UHFFFAOYSA-N 1 0 328.416 3.466 20 10 EGCDRO CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000771058952 1303354232 /nfs/dbraw/zinc/35/42/32/1303354232.db2.gz OUHVGLOUHWIHOW-HNNXBMFYSA-N 1 0 336.863 3.316 20 10 EGCDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886325024 1303434151 /nfs/dbraw/zinc/43/41/51/1303434151.db2.gz QLVHYDAZWAQQAZ-VQIMIIECSA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886325176 1303434188 /nfs/dbraw/zinc/43/41/88/1303434188.db2.gz XUBNWCIMXWCESL-WMZOPIPTSA-N 1 0 343.515 3.304 20 10 EGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886325173 1303434312 /nfs/dbraw/zinc/43/43/12/1303434312.db2.gz XUBNWCIMXWCESL-AEFFLSMTSA-N 1 0 343.515 3.304 20 10 EGCDRO C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1c(O)cccc1F ZINC000886578261 1303509282 /nfs/dbraw/zinc/50/92/82/1303509282.db2.gz PPYHLLKACYZXDW-ZFWWWQNUSA-N 1 0 344.434 3.240 20 10 EGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746868 1303582388 /nfs/dbraw/zinc/58/23/88/1303582388.db2.gz DTPMTFLERJXBQA-APWZRJJASA-N 1 0 329.488 3.057 20 10 EGCDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747330 1303583484 /nfs/dbraw/zinc/58/34/84/1303583484.db2.gz QWQIQMHUCGQATE-GOSISDBHSA-N 1 0 329.488 3.057 20 10 EGCDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1=O ZINC000773006556 1303606175 /nfs/dbraw/zinc/60/61/75/1303606175.db2.gz LWGBRYSNADGRLQ-SJLPKXTDSA-N 1 0 329.488 3.337 20 10 EGCDRO C[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000773371403 1303669904 /nfs/dbraw/zinc/66/99/04/1303669904.db2.gz KAGHMOWUWUNOPL-IAGOWNOFSA-N 1 0 346.519 3.233 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000773814889 1303740646 /nfs/dbraw/zinc/74/06/46/1303740646.db2.gz IHZXOKKGANCRNM-GOSISDBHSA-N 1 0 332.488 3.160 20 10 EGCDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774479630 1303815149 /nfs/dbraw/zinc/81/51/49/1303815149.db2.gz RFVRHNQJJUFVBG-HUUCEWRRSA-N 1 0 341.455 3.439 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000774856938 1303868606 /nfs/dbraw/zinc/86/86/06/1303868606.db2.gz IDTLHELBVNFZQQ-OAHLLOKOSA-N 1 0 344.367 3.352 20 10 EGCDRO COc1c([O-])c(C[NH2+][C@H](C)Cc2ccccc2C)ccc1[N+](=O)[O-] ZINC000774976257 1303884798 /nfs/dbraw/zinc/88/47/98/1303884798.db2.gz KEMGDHVGEZSVEZ-CYBMUJFWSA-N 1 0 330.384 3.338 20 10 EGCDRO Cn1c(-c2ccccc2)cnc1SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000775186708 1303921817 /nfs/dbraw/zinc/92/18/17/1303921817.db2.gz MCUXAPIHRSCSIM-IYBDPMFKSA-N 1 0 329.469 3.042 20 10 EGCDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775199919 1303924091 /nfs/dbraw/zinc/92/40/91/1303924091.db2.gz LDBQHBOUYAMEOR-KRWDZBQOSA-N 1 0 335.448 3.082 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2F)c1 ZINC000775369974 1303948706 /nfs/dbraw/zinc/94/87/06/1303948706.db2.gz DDPDMVWEVCRGCZ-GFCCVEGCSA-N 1 0 332.375 3.138 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1cc(Cl)ccc1O ZINC000775485198 1303970799 /nfs/dbraw/zinc/97/07/99/1303970799.db2.gz PXYCPSORLFIKOJ-DOTOQJQBSA-N 1 0 340.895 3.443 20 10 EGCDRO CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Cl)ccc1O ZINC000775506610 1303976690 /nfs/dbraw/zinc/97/66/90/1303976690.db2.gz CNMUFFSSUHVWPK-HNNXBMFYSA-N 1 0 326.868 3.197 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(Cl)ccc1O ZINC000775550755 1303983416 /nfs/dbraw/zinc/98/34/16/1303983416.db2.gz APDQHABHWRORTE-TZMCWYRMSA-N 1 0 331.865 3.054 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000775830463 1304045075 /nfs/dbraw/zinc/04/50/75/1304045075.db2.gz JOJJMZOTIKFJLJ-MRXNPFEDSA-N 1 0 329.488 3.410 20 10 EGCDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000775830759 1304045490 /nfs/dbraw/zinc/04/54/90/1304045490.db2.gz NGYJSCTZEAVIMK-AWEZNQCLSA-N 1 0 329.419 3.489 20 10 EGCDRO C[C@H](c1ccccc1)[N@H+](CCN1CCOC1=O)Cc1ccccc1O ZINC000776012057 1304079566 /nfs/dbraw/zinc/07/95/66/1304079566.db2.gz XFRYJCKQXASGEU-MRXNPFEDSA-N 1 0 340.423 3.408 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000776809807 1304203449 /nfs/dbraw/zinc/20/34/49/1304203449.db2.gz BWOQQHZIPAZDAA-RDJZCZTQSA-N 1 0 334.460 3.350 20 10 EGCDRO C[C@H]([NH2+]CCCn1cncn1)c1ccc(N2CCCCCC2)cc1 ZINC000776974042 1304226042 /nfs/dbraw/zinc/22/60/42/1304226042.db2.gz JEOKJPQCLGMPRO-KRWDZBQOSA-N 1 0 327.476 3.399 20 10 EGCDRO COC(=O)C1=C(C)O[C@@H](C[N@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000778216557 1304421497 /nfs/dbraw/zinc/42/14/97/1304421497.db2.gz WRQKJEXALZIPFS-QGZVFWFLSA-N 1 0 345.439 3.373 20 10 EGCDRO CCN1C[C@H](C[N@H+](C)Cc2cc(F)ccc2O)Oc2ccccc21 ZINC000778995342 1304515807 /nfs/dbraw/zinc/51/58/07/1304515807.db2.gz VKAMQVQAWVSBCN-INIZCTEOSA-N 1 0 330.403 3.251 20 10 EGCDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000779018464 1304518054 /nfs/dbraw/zinc/51/80/54/1304518054.db2.gz ALRHMQNFDNHUEG-OAGGEKHMSA-N 1 0 338.467 3.080 20 10 EGCDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000779018435 1304518561 /nfs/dbraw/zinc/51/85/61/1304518561.db2.gz ALRHMQNFDNHUEG-BZUAXINKSA-N 1 0 338.467 3.080 20 10 EGCDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000779031900 1304520791 /nfs/dbraw/zinc/52/07/91/1304520791.db2.gz BGXZFSQACDAKJA-WFASDCNBSA-N 1 0 338.423 3.409 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Br)ccc1O ZINC000779061228 1304524183 /nfs/dbraw/zinc/52/41/83/1304524183.db2.gz KEPKVWBKHVZPPI-PWSUYJOCSA-N 1 0 336.233 3.017 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1O ZINC000779152573 1304535742 /nfs/dbraw/zinc/53/57/42/1304535742.db2.gz CDBJHYSLBCUCJK-WFASDCNBSA-N 1 0 342.277 3.446 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000779188151 1304540106 /nfs/dbraw/zinc/54/01/06/1304540106.db2.gz GKXFRPUTEWQTKE-HNNXBMFYSA-N 1 0 325.836 3.445 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000780580918 1304712212 /nfs/dbraw/zinc/71/22/12/1304712212.db2.gz RAKAHPXZLREBRY-CJNGLKHVSA-N 1 0 347.377 3.364 20 10 EGCDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000780593546 1304713483 /nfs/dbraw/zinc/71/34/83/1304713483.db2.gz HHNZLFIDBSKCCT-CTNGQTDRSA-N 1 0 346.515 3.333 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCCCC2)cc1 ZINC000781618178 1304849336 /nfs/dbraw/zinc/84/93/36/1304849336.db2.gz IIPLAQSYGVBKAT-QGZVFWFLSA-N 1 0 331.504 3.366 20 10 EGCDRO COC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)[nH]1 ZINC000781911558 1304889944 /nfs/dbraw/zinc/88/99/44/1304889944.db2.gz LYITVHDIFJWJQL-UHFFFAOYSA-N 1 0 328.412 3.452 20 10 EGCDRO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]2CCCC[C@@H]21 ZINC000782502911 1304983062 /nfs/dbraw/zinc/98/30/62/1304983062.db2.gz IHWUKBUTGLAOHP-NSISKUIASA-N 1 0 343.515 3.222 20 10 EGCDRO Cc1cccc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253090 1305000519 /nfs/dbraw/zinc/00/05/19/1305000519.db2.gz QLMCKXGYVSKUKE-LJQANCHMSA-N 1 0 339.483 3.402 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(CCCn3ccnc3)CC1)OCO2 ZINC000782944800 1305026310 /nfs/dbraw/zinc/02/63/10/1305026310.db2.gz KWHCFLMQADNSIX-UHFFFAOYSA-N 1 0 343.427 3.010 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000783638571 1305121251 /nfs/dbraw/zinc/12/12/51/1305121251.db2.gz RLTDZDRBMIGBGT-GJZGRUSLSA-N 1 0 340.414 3.273 20 10 EGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2O)C12CCC2 ZINC000892230145 1305288658 /nfs/dbraw/zinc/28/86/58/1305288658.db2.gz WCBNXFLLAXZIIB-HZPDHXFCSA-N 1 0 335.444 3.189 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)Oc2cccc(F)c2)c(O)c1OC ZINC000893068745 1305689905 /nfs/dbraw/zinc/68/99/05/1305689905.db2.gz OBLHYVSZKNCATR-LBPRGKRZSA-N 1 0 335.375 3.106 20 10 EGCDRO C[C@H]([NH2+]CCc1cncn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000788258874 1305910395 /nfs/dbraw/zinc/91/03/95/1305910395.db2.gz YUNLSFKHYBROCS-HNNXBMFYSA-N 1 0 330.451 3.443 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c(O)c1 ZINC000788558288 1305971069 /nfs/dbraw/zinc/97/10/69/1305971069.db2.gz UKOMHVQCMHAOCK-INIZCTEOSA-N 1 0 326.440 3.318 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)c(O)c1OC ZINC000893620113 1305990165 /nfs/dbraw/zinc/99/01/65/1305990165.db2.gz GDVODMNHURDQOM-AEFFLSMTSA-N 1 0 343.423 3.419 20 10 EGCDRO COc1ccc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(O)c1OC ZINC000894220674 1306287167 /nfs/dbraw/zinc/28/71/67/1306287167.db2.gz FJWAQFBGMNZAAS-KRWDZBQOSA-N 1 0 348.487 3.296 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1O ZINC000894351270 1306355425 /nfs/dbraw/zinc/35/54/25/1306355425.db2.gz BFOOZZSDJJKHMV-OAHLLOKOSA-N 1 0 329.396 3.029 20 10 EGCDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000790874732 1308878249 /nfs/dbraw/zinc/87/82/49/1308878249.db2.gz UKIQASPBGZPCTE-UHFFFAOYSA-N 1 0 346.471 3.070 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c1O ZINC000894478076 1308913697 /nfs/dbraw/zinc/91/36/97/1308913697.db2.gz ASJDNBOMLNGHHG-DNVCBOLYSA-N 1 0 328.456 3.490 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(O)c1OC ZINC000894486391 1308916978 /nfs/dbraw/zinc/91/69/78/1308916978.db2.gz UTWNGHCGRAWGEQ-HUUCEWRRSA-N 1 0 335.444 3.048 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000792842017 1309243944 /nfs/dbraw/zinc/24/39/44/1309243944.db2.gz DCIFDPDEPADQPK-BBRMVZONSA-N 1 0 330.394 3.364 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCc3ccc(C)nc3)CC2)cc1F ZINC000792843241 1309244409 /nfs/dbraw/zinc/24/44/09/1309244409.db2.gz MBSBETUVTYBYQM-UHFFFAOYSA-N 1 0 343.446 3.293 20 10 EGCDRO CN(C)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000792914728 1309258646 /nfs/dbraw/zinc/25/86/46/1309258646.db2.gz DXSFSKDFXGCAJB-IAGOWNOFSA-N 1 0 341.421 3.488 20 10 EGCDRO C[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000792950849 1309269618 /nfs/dbraw/zinc/26/96/18/1309269618.db2.gz MCDVOGMXTLASPH-DYVFJYSZSA-N 1 0 340.414 3.271 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccnn3C(C)C)CC2)cc1 ZINC000792952289 1309270367 /nfs/dbraw/zinc/27/03/67/1309270367.db2.gz XMXCXFOELNMAPU-UHFFFAOYSA-N 1 0 328.460 3.231 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCc2n[nH]c3ccccc32)c(O)c1 ZINC000793387530 1309362459 /nfs/dbraw/zinc/36/24/59/1309362459.db2.gz GBIQRUFSOQZYPP-CYBMUJFWSA-N 1 0 325.412 3.388 20 10 EGCDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1c(O)cccc1Cl ZINC000793604483 1309414365 /nfs/dbraw/zinc/41/43/65/1309414365.db2.gz HEPDUDJCNPKEGO-LLVKDONJSA-N 1 0 328.840 3.439 20 10 EGCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895815075 1309533065 /nfs/dbraw/zinc/53/30/65/1309533065.db2.gz ZGYJMKBDJUUHMI-MRXNPFEDSA-N 1 0 331.504 3.160 20 10 EGCDRO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000794754106 1309590055 /nfs/dbraw/zinc/59/00/55/1309590055.db2.gz LWSLXJPTRHWUFD-UHFFFAOYSA-N 1 0 333.819 3.429 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(O)c1OC ZINC000895938299 1309600631 /nfs/dbraw/zinc/60/06/31/1309600631.db2.gz ACTKSWNBTUUQPM-INIZCTEOSA-N 1 0 347.386 3.202 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000794828009 1309603687 /nfs/dbraw/zinc/60/36/87/1309603687.db2.gz NXNMRTFFZPGDMF-LBPRGKRZSA-N 1 0 339.482 3.407 20 10 EGCDRO CCCSC[C@@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000896054073 1309676635 /nfs/dbraw/zinc/67/66/35/1309676635.db2.gz OWBURRPIQMYBLI-OAHLLOKOSA-N 1 0 349.544 3.010 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)cc1F ZINC000896198268 1309740648 /nfs/dbraw/zinc/74/06/48/1309740648.db2.gz NJYLEBVTFIHOES-UHFFFAOYSA-N 1 0 328.435 3.363 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)c(O)c1 ZINC000896197815 1309740748 /nfs/dbraw/zinc/74/07/48/1309740748.db2.gz IPFKYYFPPOMVTH-UHFFFAOYSA-N 1 0 327.428 3.262 20 10 EGCDRO COc1cccc(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)c1O ZINC000897320176 1310289206 /nfs/dbraw/zinc/28/92/06/1310289206.db2.gz NPEJQAVYRFNKEY-UHFFFAOYSA-N 1 0 337.379 3.050 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000897331555 1310294677 /nfs/dbraw/zinc/29/46/77/1310294677.db2.gz ULZGFTXVKRHXHV-OAHLLOKOSA-N 1 0 341.329 3.243 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980636 1310538581 /nfs/dbraw/zinc/53/85/81/1310538581.db2.gz AYIFGMQZIRSFRX-UHFFFAOYSA-N 1 0 339.277 3.261 20 10 EGCDRO Cc1nc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)sc1C ZINC000898446756 1310737982 /nfs/dbraw/zinc/73/79/82/1310737982.db2.gz ABRMOUQCNRFZFR-QGZVFWFLSA-N 1 0 332.517 3.218 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1O ZINC000898449310 1310740597 /nfs/dbraw/zinc/74/05/97/1310740597.db2.gz AUGWPOSBPUBDLP-LJQANCHMSA-N 1 0 327.472 3.159 20 10 EGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000800476886 1310767222 /nfs/dbraw/zinc/76/72/22/1310767222.db2.gz RCXFOODATUCBRK-OXJNMPFZSA-N 1 0 332.488 3.459 20 10 EGCDRO C[C@@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)c1cc(F)ccc1O ZINC000800505171 1310772779 /nfs/dbraw/zinc/77/27/79/1310772779.db2.gz IIGBJPAOZJNIDT-MEODZPNASA-N 1 0 342.414 3.402 20 10 EGCDRO C[C@@H](N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(C)CC1 ZINC000899102592 1310936478 /nfs/dbraw/zinc/93/64/78/1310936478.db2.gz RBOPTBRCAZCZGB-CRAIPNDOSA-N 1 0 346.519 3.185 20 10 EGCDRO Oc1cc(Br)ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000824605332 1320269790 /nfs/dbraw/zinc/26/97/90/1320269790.db2.gz IEGMPGWPWMQBTE-UHFFFAOYSA-N 1 0 336.233 3.257 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CCCO)C2)c1O ZINC000825337944 1320329798 /nfs/dbraw/zinc/32/97/98/1320329798.db2.gz JICDLRMAGYISTG-LBPRGKRZSA-N 1 0 328.250 3.058 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC000825399795 1320335006 /nfs/dbraw/zinc/33/50/06/1320335006.db2.gz BYMUFLNDYDCFBB-UHFFFAOYSA-N 1 0 340.851 3.311 20 10 EGCDRO C[N@H+](Cc1ccc(Br)cc1O)[C@@H](CO)c1ccccc1 ZINC000826049521 1320380974 /nfs/dbraw/zinc/38/09/74/1320380974.db2.gz UENHTFRHUQPBIT-HNNXBMFYSA-N 1 0 336.229 3.320 20 10 EGCDRO COc1ccc(O)c(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000827178270 1320431585 /nfs/dbraw/zinc/43/15/85/1320431585.db2.gz GWGHYNDLLOOXCE-LJQANCHMSA-N 1 0 340.467 3.150 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CC2SCCS2)c1O ZINC000827612862 1320462855 /nfs/dbraw/zinc/46/28/55/1320462855.db2.gz IUTKJMVQPOJZOS-UHFFFAOYSA-N 1 0 334.304 3.359 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838764576 1320814026 /nfs/dbraw/zinc/81/40/26/1320814026.db2.gz FIUGYFKSOGLJDW-KRWDZBQOSA-N 1 0 346.519 3.016 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@]3(C)C=CCC3)C2)cc1C ZINC001019248952 1317123485 /nfs/dbraw/zinc/12/34/85/1317123485.db2.gz JCFBIZJVLVOBPV-FXAWDEMLSA-N 1 0 328.456 3.050 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCN2Cc3ccccc3C2)cc1F ZINC000858113318 1328685541 /nfs/dbraw/zinc/68/55/41/1328685541.db2.gz QNMRHALDZIZZJJ-UHFFFAOYSA-N 1 0 331.410 3.136 20 10 EGCDRO CCCC[NH+]1CCC(NCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858116744 1328687314 /nfs/dbraw/zinc/68/73/14/1328687314.db2.gz ZLWCKQPCZAXENO-UHFFFAOYSA-N 1 0 325.447 3.385 20 10 EGCDRO Cc1cc(Cn2cc(C[NH+](C(C)C)C(C)C)nn2)ccc1N(C)C ZINC000900572002 1317309732 /nfs/dbraw/zinc/30/97/32/1317309732.db2.gz SZHBLHGTGQBCAJ-UHFFFAOYSA-N 1 0 329.492 3.320 20 10 EGCDRO CC[NH+]1CCC(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858147188 1328696491 /nfs/dbraw/zinc/69/64/91/1328696491.db2.gz YNEBNSOEHVMQDB-UHFFFAOYSA-N 1 0 325.447 3.242 20 10 EGCDRO CC(C)(CNCc1c(O)cccc1Br)C[NH+]1CCCC1 ZINC000858160993 1328700251 /nfs/dbraw/zinc/70/02/51/1328700251.db2.gz XPROQZPOBMTNFW-UHFFFAOYSA-N 1 0 341.293 3.366 20 10 EGCDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000806170378 1317468111 /nfs/dbraw/zinc/46/81/11/1317468111.db2.gz ZJJPPDXONYYBRL-LSDHHAIUSA-N 1 0 340.895 3.092 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1F ZINC000858165811 1328701851 /nfs/dbraw/zinc/70/18/51/1328701851.db2.gz OGTMNZWIGPMHRN-JXFKEZNVSA-N 1 0 346.421 3.287 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1F ZINC000858178680 1328704300 /nfs/dbraw/zinc/70/43/00/1328704300.db2.gz PFYHAUHKYCYYHY-CQSZACIVSA-N 1 0 338.373 3.036 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)cc1C(C)C ZINC000902578643 1317596460 /nfs/dbraw/zinc/59/64/60/1317596460.db2.gz URQQCXNDVBJFBE-IBGZPJMESA-N 1 0 329.444 3.131 20 10 EGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)n1 ZINC000902585244 1317596749 /nfs/dbraw/zinc/59/67/49/1317596749.db2.gz QEYLJOKFMXDIJQ-HNNXBMFYSA-N 1 0 341.455 3.417 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000808431006 1317676217 /nfs/dbraw/zinc/67/62/17/1317676217.db2.gz NKNJSUQXCKATEW-HNNXBMFYSA-N 1 0 335.831 3.310 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000858221743 1328714581 /nfs/dbraw/zinc/71/45/81/1328714581.db2.gz MCCJQZASCDABMR-QGZVFWFLSA-N 1 0 333.476 3.010 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(O)c1 ZINC000903447820 1317700717 /nfs/dbraw/zinc/70/07/17/1317700717.db2.gz CVUPLXUMOKEPID-FOIQADDNSA-N 1 0 327.472 3.412 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)cc1 ZINC000808723479 1317723529 /nfs/dbraw/zinc/72/35/29/1317723529.db2.gz OUAXKYNMBYPWGT-GDVKCFTOSA-N 1 0 343.515 3.440 20 10 EGCDRO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)CC1CC(O)C1 ZINC000809650301 1317855409 /nfs/dbraw/zinc/85/54/09/1317855409.db2.gz UMIMFLBHFFOJRB-UHFFFAOYSA-N 1 0 336.479 3.452 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1F ZINC000809689092 1317862714 /nfs/dbraw/zinc/86/27/14/1317862714.db2.gz TUHVTJCSYPRCFH-UHFFFAOYSA-N 1 0 331.391 3.474 20 10 EGCDRO CCOc1ccc(CN(Cc2ccco2)C2CC[NH+](C)CC2)c(O)c1 ZINC000809763104 1317894504 /nfs/dbraw/zinc/89/45/04/1317894504.db2.gz JOSKQFIAJMVFIS-UHFFFAOYSA-N 1 0 344.455 3.480 20 10 EGCDRO COc1cccc(C[N@H+](CCc2ccccn2)Cc2ccncc2)c1O ZINC000809762528 1317894665 /nfs/dbraw/zinc/89/46/65/1317894665.db2.gz REYUHTIGPCCBGN-UHFFFAOYSA-N 1 0 349.434 3.436 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1O ZINC000809793288 1317903587 /nfs/dbraw/zinc/90/35/87/1317903587.db2.gz BPBKFIALZVZZJT-QFIPXVFZSA-N 1 0 339.844 3.081 20 10 EGCDRO COC(=O)c1cc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)c[nH]1 ZINC000858292466 1328731141 /nfs/dbraw/zinc/73/11/41/1328731141.db2.gz ACNHMKUVHFEVCZ-UHFFFAOYSA-N 1 0 337.423 3.499 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccc(C(F)(F)F)cc1O ZINC000810216005 1317977186 /nfs/dbraw/zinc/97/71/86/1317977186.db2.gz BLEQCHCPMQNJAL-ZFWWWQNUSA-N 1 0 346.393 3.172 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(C(F)(F)F)cc1O ZINC000810215956 1317977250 /nfs/dbraw/zinc/97/72/50/1317977250.db2.gz PMTPHWXPZVFLCM-CABZTGNLSA-N 1 0 328.338 3.341 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccc(C(F)(F)F)cc1O ZINC000810225648 1317979928 /nfs/dbraw/zinc/97/99/28/1317979928.db2.gz JPHCORVMOPPSBG-KGLIPLIRSA-N 1 0 344.377 3.461 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810237093 1317982536 /nfs/dbraw/zinc/98/25/36/1317982536.db2.gz FDMGJWUDJHQNLU-JMSVASOKSA-N 1 0 347.377 3.097 20 10 EGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810244940 1317985265 /nfs/dbraw/zinc/98/52/65/1317985265.db2.gz KVXZULACAQQOEI-JKSUJKDBSA-N 1 0 337.483 3.042 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c(OC)n1 ZINC000810260152 1317988949 /nfs/dbraw/zinc/98/89/49/1317988949.db2.gz GHWZMMBGGFFFDR-GWCFXTLKSA-N 1 0 332.375 3.282 20 10 EGCDRO C[N@H+](Cc1cn2ccc(Br)cc2n1)Cc1ccccc1O ZINC000811457725 1318179534 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20 10 EGCDRO CC[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000812809126 1318460813 /nfs/dbraw/zinc/46/08/13/1318460813.db2.gz QTJKVRTZTHVUDK-OAHLLOKOSA-N 1 0 335.448 3.442 20 10 EGCDRO CCc1nc(C)c(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000813794492 1318632515 /nfs/dbraw/zinc/63/25/15/1318632515.db2.gz AFVBHIMIIDBRAE-UHFFFAOYSA-N 1 0 329.444 3.313 20 10 EGCDRO OC[C@H]([NH2+]Cc1ccccc1O)c1ccc(Br)c(F)c1 ZINC000813791474 1318632848 /nfs/dbraw/zinc/63/28/48/1318632848.db2.gz BOZDZFXCFMHAAX-AWEZNQCLSA-N 1 0 340.192 3.117 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](C)C[NH+](C)C)c2C)cc1 ZINC000814137027 1318682119 /nfs/dbraw/zinc/68/21/19/1318682119.db2.gz JDVOXFFHKLGCOD-CQSZACIVSA-N 1 0 343.471 3.030 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c1O ZINC000858499434 1328780815 /nfs/dbraw/zinc/78/08/15/1328780815.db2.gz ZPZSROLTAYQDNL-ZDUSSCGKSA-N 1 0 328.412 3.234 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1O ZINC000814170099 1318686923 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EGCDRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000817981264 1319485078 /nfs/dbraw/zinc/48/50/78/1319485078.db2.gz QSFCFKPJCZWBHP-YLJYHZDGSA-N 1 0 331.504 3.096 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817982437 1319485822 /nfs/dbraw/zinc/48/58/22/1319485822.db2.gz SHESOGMEEDJUES-ZWNOBZJWSA-N 1 0 333.259 3.118 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cncc(F)c3)C2)cc1 ZINC000818220682 1319521729 /nfs/dbraw/zinc/52/17/29/1319521729.db2.gz IVILZMGDOWRRFM-LSDHHAIUSA-N 1 0 329.419 3.406 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](Cn3cccn3)C(C)C)C2)cc1 ZINC000818342995 1319530515 /nfs/dbraw/zinc/53/05/15/1319530515.db2.gz XOXOOQIUFURWLD-PXNSSMCTSA-N 1 0 342.487 3.032 20 10 EGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342252 1319531019 /nfs/dbraw/zinc/53/10/19/1319531019.db2.gz NROCVUYNVNMIIV-FUHIMQAGSA-N 1 0 332.488 3.316 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccc(CO)c3)C2)cc1 ZINC000818343201 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BJASFTQKNMTVJZ-GFCCVEGCSA-N 1 0 326.190 3.225 20 10 EGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000825347163 1320331084 /nfs/dbraw/zinc/33/10/84/1320331084.db2.gz JTGYQSGEWBHCQM-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000825753674 1320360514 /nfs/dbraw/zinc/36/05/14/1320360514.db2.gz UBGNUFXFDJWSLW-CQSZACIVSA-N 1 0 331.412 3.104 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc2ccccc2c1O)[C@@]1(O)CCCOC1 ZINC000827595180 1320461453 /nfs/dbraw/zinc/46/14/53/1320461453.db2.gz MCFJPUVBDINOFN-HXUWFJFHSA-N 1 0 329.440 3.203 20 10 EGCDRO CC(=O)NC1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827594879 1320461501 /nfs/dbraw/zinc/46/15/01/1320461501.db2.gz JNGALYWLJPCVRT-UHFFFAOYSA-N 1 0 329.488 3.086 20 10 EGCDRO CCN(Cc1cc(Br)ccc1O)[C@@H](C)c1nnc(C)[nH]1 ZINC000839497219 1320928845 /nfs/dbraw/zinc/92/88/45/1320928845.db2.gz BAKBWZQXGWMHRT-VIFPVBQESA-N 1 0 339.237 3.164 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000840864416 1321164856 /nfs/dbraw/zinc/16/48/56/1321164856.db2.gz BRORGFMNPQIZIM-LLVKDONJSA-N 1 0 339.844 3.300 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)c(O)c1C ZINC000840866175 1321164932 /nfs/dbraw/zinc/16/49/32/1321164932.db2.gz LASRRMQBESFKLW-CQSZACIVSA-N 1 0 333.453 3.263 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(C)C ZINC000840879207 1321167614 /nfs/dbraw/zinc/16/76/14/1321167614.db2.gz MDFFGAWOWAQTJG-FNHZYXHNSA-N 1 0 338.467 3.108 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)c(O)c1 ZINC000840881918 1321169104 /nfs/dbraw/zinc/16/91/04/1321169104.db2.gz LEUHXWKJAIWGRN-GUYCJALGSA-N 1 0 328.387 3.296 20 10 EGCDRO COC(=O)C1CCC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840895161 1321171865 /nfs/dbraw/zinc/17/18/65/1321171865.db2.gz VYYDVFLVGMGLAK-HJOIGYKYSA-N 1 0 332.488 3.313 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000840910348 1321175621 /nfs/dbraw/zinc/17/56/21/1321175621.db2.gz RMEWTRDKTHCDQX-UHFFFAOYSA-N 1 0 343.515 3.286 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000840918800 1321177108 /nfs/dbraw/zinc/17/71/08/1321177108.db2.gz ZCWRRHSZURZRGD-KRWDZBQOSA-N 1 0 345.531 3.435 20 10 EGCDRO COc1ccc(CC[NH2+]Cc2ccc(N(C)C)cc2C)cc1OC ZINC000840928440 1321179834 /nfs/dbraw/zinc/17/98/34/1321179834.db2.gz SYOXEFVIYQDXGQ-UHFFFAOYSA-N 1 0 328.456 3.411 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840932680 1321180207 /nfs/dbraw/zinc/18/02/07/1321180207.db2.gz HZMIFDVQJLOQLU-UHFFFAOYSA-N 1 0 339.483 3.199 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000840933549 1321180329 /nfs/dbraw/zinc/18/03/29/1321180329.db2.gz PSAZKVKNBUATGW-UHFFFAOYSA-N 1 0 346.496 3.015 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1O ZINC000840956447 1321185565 /nfs/dbraw/zinc/18/55/65/1321185565.db2.gz REYRSGNEMXTPLQ-QAPCUYQASA-N 1 0 333.815 3.456 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000840966176 1321189306 /nfs/dbraw/zinc/18/93/06/1321189306.db2.gz DAFGHEHKKVRAON-QFBILLFUSA-N 1 0 349.475 3.470 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1C ZINC000840969453 1321189666 /nfs/dbraw/zinc/18/96/66/1321189666.db2.gz KANKILJBEQYDGQ-QGZVFWFLSA-N 1 0 328.387 3.038 20 10 EGCDRO CN(CCC[N@H+](C)Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000840972460 1321191609 /nfs/dbraw/zinc/19/16/09/1321191609.db2.gz MLTIKYBGWPMBOE-UHFFFAOYSA-N 1 0 326.412 3.220 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000840976700 1321192180 /nfs/dbraw/zinc/19/21/80/1321192180.db2.gz QBUYVZNSLLHYFF-AWEZNQCLSA-N 1 0 336.430 3.243 20 10 EGCDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(N)cc2)c1C ZINC000841033759 1321205412 /nfs/dbraw/zinc/20/54/12/1321205412.db2.gz AKHZHZFAJUVRNU-OAHLLOKOSA-N 1 0 325.456 3.435 20 10 EGCDRO CCOc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000841042762 1321207791 /nfs/dbraw/zinc/20/77/91/1321207791.db2.gz NMHIZWMKFGKSGZ-GOSISDBHSA-N 1 0 331.435 3.080 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccccc2OC(F)F)cc1 ZINC000841044120 1321208558 /nfs/dbraw/zinc/20/85/58/1321208558.db2.gz TVFUPMCFYKCFFS-MRXNPFEDSA-N 1 0 335.398 3.144 20 10 EGCDRO Nc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000841300282 1321250045 /nfs/dbraw/zinc/25/00/45/1321250045.db2.gz OXMFKGWJVPIBQV-UHFFFAOYSA-N 1 0 348.516 3.142 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)NCCc1ccccc1 ZINC000841758064 1321307694 /nfs/dbraw/zinc/30/76/94/1321307694.db2.gz RUVHZZANYKRBNW-KBPBESRZSA-N 1 0 346.858 3.444 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000841762136 1321308004 /nfs/dbraw/zinc/30/80/04/1321308004.db2.gz MIPUNAJUNUWXRU-OAHLLOKOSA-N 1 0 347.499 3.489 20 10 EGCDRO C[N@H+](Cc1c(O)ccc2ccncc21)C[C@@]1(O)CCc2ccccc21 ZINC000842623167 1321407948 /nfs/dbraw/zinc/40/79/48/1321407948.db2.gz KJOZCMSYCQAULB-NRFANRHFSA-N 1 0 334.419 3.206 20 10 EGCDRO CC(C)Cn1nccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000842674435 1321416895 /nfs/dbraw/zinc/41/68/95/1321416895.db2.gz OLTJVEPHJFROHZ-QGZVFWFLSA-N 1 0 342.487 3.227 20 10 EGCDRO Cc1cccc2nc(CC[NH2+]Cc3ccc(N(C)C)c(F)c3)cn21 ZINC000842782889 1321432076 /nfs/dbraw/zinc/43/20/76/1321432076.db2.gz BXWSNLMGGXJZDQ-UHFFFAOYSA-N 1 0 326.419 3.180 20 10 EGCDRO Cc1ccccc1-c1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843349591 1321503501 /nfs/dbraw/zinc/50/35/01/1321503501.db2.gz FPAPBWZIHCKETM-UHFFFAOYSA-N 1 0 334.423 3.457 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccsc2)no1 ZINC000843349691 1321503629 /nfs/dbraw/zinc/50/36/29/1321503629.db2.gz IZPQYVCEELMXLX-UHFFFAOYSA-N 1 0 326.425 3.210 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(Cl)c1 ZINC000843350487 1321504205 /nfs/dbraw/zinc/50/42/05/1321504205.db2.gz SISMGLFZWCMXRN-UHFFFAOYSA-N 1 0 329.831 3.190 20 10 EGCDRO C[C@H](c1ncc(Br)cn1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350834 1321504525 /nfs/dbraw/zinc/50/45/25/1321504525.db2.gz WFKLVRJRVHRBDA-LLVKDONJSA-N 1 0 347.260 3.212 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000843487447 1321522409 /nfs/dbraw/zinc/52/24/09/1321522409.db2.gz GJRZJFRTVUYINH-MRXNPFEDSA-N 1 0 331.504 3.127 20 10 EGCDRO [NH3+][C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(Cl)c1 ZINC000843489342 1321522480 /nfs/dbraw/zinc/52/24/80/1321522480.db2.gz CMNIISYWWPDDIL-GOSISDBHSA-N 1 0 344.842 3.241 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)NCCCCCC[NH3+])c2C)cc1 ZINC000843510087 1321523831 /nfs/dbraw/zinc/52/38/31/1321523831.db2.gz GYXXRJKKYDXJHU-UHFFFAOYSA-N 1 0 343.471 3.352 20 10 EGCDRO C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000844923396 1321658856 /nfs/dbraw/zinc/65/88/56/1321658856.db2.gz FZZFNFHGTRFZDB-JTQLQIEISA-N 1 0 345.256 3.334 20 10 EGCDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846009740 1321762550 /nfs/dbraw/zinc/76/25/50/1321762550.db2.gz DCYORWVNVOPICN-SJLPKXTDSA-N 1 0 338.492 3.426 20 10 EGCDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846028162 1321763188 /nfs/dbraw/zinc/76/31/88/1321763188.db2.gz XTWZKPMPUZVTDW-MRXNPFEDSA-N 1 0 336.451 3.052 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000846051371 1321764349 /nfs/dbraw/zinc/76/43/49/1321764349.db2.gz DAKYEEKHYANVDE-UHFFFAOYSA-N 1 0 330.476 3.215 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000846097215 1321767080 /nfs/dbraw/zinc/76/70/80/1321767080.db2.gz NUQUEZQTYFBWQB-BXUZGUMPSA-N 1 0 344.377 3.320 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c1O ZINC000846142546 1321770983 /nfs/dbraw/zinc/77/09/83/1321770983.db2.gz FIXIOLDXOASYDL-HZPDHXFCSA-N 1 0 345.439 3.108 20 10 EGCDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846141277 1321770985 /nfs/dbraw/zinc/77/09/85/1321770985.db2.gz HLNDWYXAMFVZAC-CYBMUJFWSA-N 1 0 328.412 3.001 20 10 EGCDRO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3cccc(OC)c3O)C2)c1 ZINC000846146621 1321771590 /nfs/dbraw/zinc/77/15/90/1321771590.db2.gz RIUYEPHHPILGEQ-GJZGRUSLSA-N 1 0 342.439 3.339 20 10 EGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)C2 ZINC000846157985 1321772511 /nfs/dbraw/zinc/77/25/11/1321772511.db2.gz QXERWFZCLNJELG-OCCSQVGLSA-N 1 0 329.396 3.064 20 10 EGCDRO C[C@@H](c1ccccc1)[N@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1O ZINC000846839916 1321814462 /nfs/dbraw/zinc/81/44/62/1321814462.db2.gz HUJVRCVVPWWSEZ-WMZOPIPTSA-N 1 0 338.451 3.482 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)c1ccc(N(C)C)cc1 ZINC000846860226 1321817954 /nfs/dbraw/zinc/81/79/54/1321817954.db2.gz IFOHRHQUWGMKHT-UWJYYQICSA-N 1 0 339.483 3.309 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cncnc3C)CC2)cc1 ZINC000848525417 1321969301 /nfs/dbraw/zinc/96/93/01/1321969301.db2.gz NQRPDGSVTLFWAW-OAHLLOKOSA-N 1 0 326.444 3.113 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000848565668 1321976888 /nfs/dbraw/zinc/97/68/88/1321976888.db2.gz REHGJWGDLDMZSD-JKSUJKDBSA-N 1 0 343.446 3.339 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000848881269 1322027495 /nfs/dbraw/zinc/02/74/95/1322027495.db2.gz WUYJNWKDNDAJPY-KRWDZBQOSA-N 1 0 336.439 3.377 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000848885331 1322029311 /nfs/dbraw/zinc/02/93/11/1322029311.db2.gz TTYLNBMLNSFTQQ-HNNXBMFYSA-N 1 0 332.488 3.329 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)c1O ZINC000848891020 1322031528 /nfs/dbraw/zinc/03/15/28/1322031528.db2.gz MYQCUXKRIWCONU-IBGZPJMESA-N 1 0 328.456 3.356 20 10 EGCDRO CCc1cccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1O ZINC000848899623 1322037440 /nfs/dbraw/zinc/03/74/40/1322037440.db2.gz QXOMBQVJIDSANK-SFHVURJKSA-N 1 0 340.471 3.102 20 10 EGCDRO COc1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)c(O)c1 ZINC000849095997 1322076613 /nfs/dbraw/zinc/07/66/13/1322076613.db2.gz WIEQYHWTKHVEOE-UHFFFAOYSA-N 1 0 325.412 3.416 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1 ZINC000849349666 1322115574 /nfs/dbraw/zinc/11/55/74/1322115574.db2.gz HIFUKVBMZRLTIP-RTBURBONSA-N 1 0 344.430 3.165 20 10 EGCDRO COc1cc(C[NH2+]CCOCC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850016549 1322181830 /nfs/dbraw/zinc/18/18/30/1322181830.db2.gz KYCIFRRCBKRCEU-UHFFFAOYSA-N 1 0 335.366 3.367 20 10 EGCDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850096916 1322192121 /nfs/dbraw/zinc/19/21/21/1322192121.db2.gz RUSPXDZKYBCBKY-CHWSQXEVSA-N 1 0 336.476 3.091 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850093996 1322192483 /nfs/dbraw/zinc/19/24/83/1322192483.db2.gz NPGPGURXSINPAA-LBPRGKRZSA-N 1 0 336.476 3.091 20 10 EGCDRO CCCN1C[C@@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1=O ZINC000850328887 1322229105 /nfs/dbraw/zinc/22/91/05/1322229105.db2.gz ZSKCNLNSDBIYCP-CQSZACIVSA-N 1 0 348.487 3.046 20 10 EGCDRO Cc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406646 1322240294 /nfs/dbraw/zinc/24/02/94/1322240294.db2.gz ONNXFRWNHPSWRJ-UHFFFAOYSA-N 1 0 328.431 3.385 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2)CC1 ZINC000850404981 1322241123 /nfs/dbraw/zinc/24/11/23/1322241123.db2.gz HBUCPKLFPOCEIR-UHFFFAOYSA-N 1 0 332.394 3.216 20 10 EGCDRO CC[NH+](CC)C[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000921118227 1322259089 /nfs/dbraw/zinc/25/90/89/1322259089.db2.gz MYRCNOBMEVBVGC-INIZCTEOSA-N 1 0 346.519 3.157 20 10 EGCDRO C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000850557712 1322267710 /nfs/dbraw/zinc/26/77/10/1322267710.db2.gz RZOGXGWXDVKEKD-DNVCBOLYSA-N 1 0 344.499 3.175 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Cl)ccc1O ZINC000850563343 1322269283 /nfs/dbraw/zinc/26/92/83/1322269283.db2.gz WHHMHLKLXJELOS-YVEFUNNKSA-N 1 0 327.852 3.264 20 10 EGCDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000850568398 1322269307 /nfs/dbraw/zinc/26/93/07/1322269307.db2.gz WXBRBCONRLVPBQ-PMACEKPBSA-N 1 0 346.515 3.331 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cccnc43)cc2)CC1 ZINC000850568194 1322269371 /nfs/dbraw/zinc/26/93/71/1322269371.db2.gz RGRPWYDDOZOYPO-HXUWFJFHSA-N 1 0 337.467 3.210 20 10 EGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000850568358 1322269663 /nfs/dbraw/zinc/26/96/63/1322269663.db2.gz WFCOYDUTGJHJAB-PMACEKPBSA-N 1 0 344.499 3.085 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cn1 ZINC000850567450 1322270015 /nfs/dbraw/zinc/27/00/15/1322270015.db2.gz CHJXHVVSSKQCHP-LJQANCHMSA-N 1 0 343.446 3.423 20 10 EGCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000850750368 1322283867 /nfs/dbraw/zinc/28/38/67/1322283867.db2.gz JTLHORYIZKHQKX-IBGZPJMESA-N 1 0 338.455 3.050 20 10 EGCDRO C[C@@H]1Cc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2O1 ZINC000921581755 1322358348 /nfs/dbraw/zinc/35/83/48/1322358348.db2.gz NMNQFIKRVXCGFQ-MRXNPFEDSA-N 1 0 338.451 3.136 20 10 EGCDRO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000924572494 1323058043 /nfs/dbraw/zinc/05/80/43/1323058043.db2.gz CUIAYHVKEZTTJN-VBKZILBWSA-N 1 0 343.446 3.247 20 10 EGCDRO Cc1cc(CC[NH2+]C[C@H](O)c2ccccn2)c(C)n1-c1ccccc1 ZINC000853061827 1323271516 /nfs/dbraw/zinc/27/15/16/1323271516.db2.gz GNHCLGHEDDBDFM-NRFANRHFSA-N 1 0 335.451 3.355 20 10 EGCDRO CCC[NH+]1CCC(N(C)Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862229445 1329468331 /nfs/dbraw/zinc/46/83/31/1329468331.db2.gz FROPOSXDFYETOQ-UHFFFAOYSA-N 1 0 325.447 3.337 20 10 EGCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)CC1 ZINC000862275267 1329473410 /nfs/dbraw/zinc/47/34/10/1329473410.db2.gz PJNOLZZEYQTIMJ-UHFFFAOYSA-N 1 0 341.455 3.051 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c(O)c1 ZINC000862483617 1329490245 /nfs/dbraw/zinc/49/02/45/1329490245.db2.gz VORMEQXAPJYGSB-HXUWFJFHSA-N 1 0 327.424 3.275 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1O ZINC000862483681 1329490382 /nfs/dbraw/zinc/49/03/82/1329490382.db2.gz WUCPGFCBSXDUDO-HXUWFJFHSA-N 1 0 327.424 3.275 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000862485130 1329490755 /nfs/dbraw/zinc/49/07/55/1329490755.db2.gz HEKRDECTHVADSX-DZGCQCFKSA-N 1 0 335.444 3.201 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(Cc3noc(C)n3)CC2)cc1 ZINC000932244570 1329799832 /nfs/dbraw/zinc/79/98/32/1329799832.db2.gz HPUBYYBFLZMRSD-UHFFFAOYSA-N 1 0 328.460 3.289 20 10 EGCDRO CC(C)[NH+]1CCC(CCNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000866088356 1330064305 /nfs/dbraw/zinc/06/43/05/1330064305.db2.gz LLPAKSSHDFBRHQ-UHFFFAOYSA-N 1 0 346.519 3.062 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000866433391 1330111730 /nfs/dbraw/zinc/11/17/30/1330111730.db2.gz BVYJJMQCOVEAIN-WFASDCNBSA-N 1 0 341.381 3.188 20 10 EGCDRO C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1cc(F)ccc1O ZINC000866474052 1330116848 /nfs/dbraw/zinc/11/68/48/1330116848.db2.gz KGAINWCANGYEEP-ZDUSSCGKSA-N 1 0 347.459 3.330 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C)c(C)o3)C2)cc1C ZINC000968412715 1335923696 /nfs/dbraw/zinc/92/36/96/1335923696.db2.gz YOHITSCNBVAGLS-QGZVFWFLSA-N 1 0 342.439 3.218 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(C)C(C)C)C2)cc1C ZINC001018909142 1339749963 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330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C3=CCCC3)C2)cc1C ZINC001047790492 1347372770 /nfs/dbraw/zinc/37/27/70/1347372770.db2.gz NKNBGBHJIUIFHH-VQIMIIECSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C3(CF)CC3)C2)cc1C ZINC001047970542 1347429000 /nfs/dbraw/zinc/42/90/00/1347429000.db2.gz WTHUFSBSQDFCMC-DOTOQJQBSA-N 1 0 348.462 3.080 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C)CC2)cc1C ZINC001050286793 1348227276 /nfs/dbraw/zinc/22/72/76/1348227276.db2.gz MGXNGKUDAXASMR-OYSPMZIOSA-N 1 0 344.499 3.424 20 10 EGCDRO CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052966034 1348777898 /nfs/dbraw/zinc/77/78/98/1348777898.db2.gz RRGNVMWZXUHGJE-OAHLLOKOSA-N 1 0 345.447 3.233 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C)cc1C ZINC001054341837 1349321741 /nfs/dbraw/zinc/32/17/41/1349321741.db2.gz SKQPJBOGKINQCB-VQIMIIECSA-N 1 0 338.451 3.254 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3=CCCC3)C[C@H]2C)cc1C ZINC001054564574 1349400711 /nfs/dbraw/zinc/40/07/11/1349400711.db2.gz JRFZBXHIIGUVHQ-QAPCUYQASA-N 1 0 328.456 3.050 20 10 EGCDRO CC[NH+](CC)CCN(C)Cc1cc(Br)cc(C)c1O ZINC001233107283 1376571090 /nfs/dbraw/zinc/57/10/90/1376571090.db2.gz WUDHVOKZQHYFBB-UHFFFAOYSA-N 1 0 329.282 3.237 20 10 EGCDRO Cc1cc(Br)cc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c1O ZINC001233111230 1376570713 /nfs/dbraw/zinc/57/07/13/1376570713.db2.gz LKNKHBXNUXCEDH-OAHLLOKOSA-N 1 0 339.277 3.132 20 10 EGCDRO Cc1cc(Br)cc(CN2CC([NH+]3CCCCC3)C2)c1O ZINC001233110098 1376571061 /nfs/dbraw/zinc/57/10/61/1376571061.db2.gz SZPBZOQRWOTDIE-UHFFFAOYSA-N 1 0 339.277 3.133 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c1O ZINC001233106782 1376571376 /nfs/dbraw/zinc/57/13/76/1376571376.db2.gz NPCPSNPYOXBHCJ-WBMJQRKESA-N 1 0 342.277 3.446 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1C ZINC001075227509 1356351591 /nfs/dbraw/zinc/35/15/91/1356351591.db2.gz VQLRHICGWUHAOH-SJLPKXTDSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001085298451 1358455665 /nfs/dbraw/zinc/45/56/65/1358455665.db2.gz WUYUFLZSYIJPSL-BNEJOLLZSA-N 1 0 330.472 3.177 20 10 EGCDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC(C)(C)C1 ZINC001089565967 1360512737 /nfs/dbraw/zinc/51/27/37/1360512737.db2.gz FOBVMEOZZDIUCZ-HNNXBMFYSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@H]2C)cc1C ZINC001094083966 1361735266 /nfs/dbraw/zinc/73/52/66/1361735266.db2.gz FXJQUCDFKBHTDQ-ZIFCJYIRSA-N 1 0 346.515 3.480 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@]3(C)C=CCC3)C2)cc1C ZINC001100585102 1364175287 /nfs/dbraw/zinc/17/52/87/1364175287.db2.gz RALNSTBQLYPHFT-WIXQSORDSA-N 1 0 342.483 3.344 20 10 EGCDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC001324733177 1387756153 /nfs/dbraw/zinc/75/61/53/1387756153.db2.gz IHGYGROFXVPLFE-LJQANCHMSA-N 1 0 345.531 3.218 20 10 EGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)[nH]1 ZINC001325350849 1387947340 /nfs/dbraw/zinc/94/73/40/1387947340.db2.gz BUJBGGLYNVAONF-QGZVFWFLSA-N 1 0 325.460 3.093 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2ccccc2O)Cc2cn(CC3CC3)nc21 ZINC001203551498 1370167154 /nfs/dbraw/zinc/16/71/54/1370167154.db2.gz GAZWGWSAMLOQTH-GOSISDBHSA-N 1 0 341.455 3.135 20 10 EGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001203556175 1370168711 /nfs/dbraw/zinc/16/87/11/1370168711.db2.gz MKEJGJLABYCYDD-LLVKDONJSA-N 1 0 327.306 3.174 20 10 EGCDRO O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203560821 1370169997 /nfs/dbraw/zinc/16/99/97/1370169997.db2.gz GSIURIPCSSQASB-KRWDZBQOSA-N 1 0 337.423 3.404 20 10 EGCDRO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001203562975 1370170493 /nfs/dbraw/zinc/17/04/93/1370170493.db2.gz RVHWRGXAGLHILA-UHFFFAOYSA-N 1 0 345.464 3.175 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1O ZINC001203596416 1370182674 /nfs/dbraw/zinc/18/26/74/1370182674.db2.gz BAWNHEKOOCGCHE-GASCZTMLSA-N 1 0 347.418 3.431 20 10 EGCDRO CCOc1cccc(C[N@@H+](Cc2ccccc2)CC(OC)OC)c1O ZINC001203602361 1370184738 /nfs/dbraw/zinc/18/47/38/1370184738.db2.gz QTNCJJKGLSENFL-UHFFFAOYSA-N 1 0 345.439 3.412 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c1O ZINC001203609736 1370186592 /nfs/dbraw/zinc/18/65/92/1370186592.db2.gz IXMHAGAWMVVVSI-HXUWFJFHSA-N 1 0 346.471 3.014 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3nc(CC)no3)C2)c1O ZINC001203613723 1370188199 /nfs/dbraw/zinc/18/81/99/1370188199.db2.gz GURRRHFFBDBKCP-AWEZNQCLSA-N 1 0 331.416 3.116 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)[C@@](C)(CO)C1 ZINC001203635878 1370195828 /nfs/dbraw/zinc/19/58/28/1370195828.db2.gz JRZWFAFOKJBTFA-OAHLLOKOSA-N 1 0 328.250 3.138 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c1O ZINC001203617910 1370189649 /nfs/dbraw/zinc/18/96/49/1370189649.db2.gz XVSUIOJRGYOLGU-MRXNPFEDSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c(O)c1 ZINC001203627592 1370192235 /nfs/dbraw/zinc/19/22/35/1370192235.db2.gz KIEVBALENWAETJ-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)c(O)c1 ZINC001203628722 1370193223 /nfs/dbraw/zinc/19/32/23/1370193223.db2.gz GHYHAUMEWGAEAX-UHFFFAOYSA-N 1 0 347.411 3.059 20 10 EGCDRO CC(=O)N1CCCCC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203657698 1370205127 /nfs/dbraw/zinc/20/51/27/1370205127.db2.gz MNKLALCLVAUKOB-UHFFFAOYSA-N 1 0 336.863 3.413 20 10 EGCDRO Cc1nccnc1O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665607 1370208537 /nfs/dbraw/zinc/20/85/37/1370208537.db2.gz PDIJQHSRKCJTNX-HNNXBMFYSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1ccc(O)c(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)c1 ZINC001203671784 1370211268 /nfs/dbraw/zinc/21/12/68/1370211268.db2.gz XSNVGARTAOLAIU-HOTGVXAUSA-N 1 0 344.480 3.026 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)c1 ZINC001203680444 1370215955 /nfs/dbraw/zinc/21/59/55/1370215955.db2.gz YATGZLOAHJNQKP-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879577 1370297690 /nfs/dbraw/zinc/29/76/90/1370297690.db2.gz SVZNNBUNAPDADV-HNNXBMFYSA-N 1 0 329.396 3.150 20 10 EGCDRO CCOC[C@@H]1CN(Cc2ccc(N(C)C)cc2)Cc2c1cnn2CC ZINC001203931075 1370319758 /nfs/dbraw/zinc/31/97/58/1370319758.db2.gz AYURHUAHRDXGDE-KRWDZBQOSA-N 1 0 342.487 3.105 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2cccnc2)C2CCOCC2)cc1 ZINC001203934317 1370321095 /nfs/dbraw/zinc/32/10/95/1370321095.db2.gz QCYQWWNRHMYEGD-UHFFFAOYSA-N 1 0 325.456 3.329 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)cc1 ZINC001203943552 1370324445 /nfs/dbraw/zinc/32/44/45/1370324445.db2.gz FJRPZNFNVNCSRD-LJQANCHMSA-N 1 0 340.471 3.366 20 10 EGCDRO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2Cc1ccc(O)cc1O ZINC001204276079 1370429311 /nfs/dbraw/zinc/42/93/11/1370429311.db2.gz FYDCPBIEIABJNV-UHFFFAOYSA-N 1 0 348.443 3.073 20 10 EGCDRO CCN(C(C)=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329625 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CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001116444700 1370913315 /nfs/dbraw/zinc/91/33/15/1370913315.db2.gz DKNIGKZHRDOMGC-PMACEKPBSA-N 1 0 344.499 3.039 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC001116564891 1370937539 /nfs/dbraw/zinc/93/75/39/1370937539.db2.gz AKKBLMRLRZNZMC-NXHRZFHOSA-N 1 0 344.499 3.482 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206021743 1370940680 /nfs/dbraw/zinc/94/06/80/1370940680.db2.gz AVDSFXQEKXRPKU-WDEREUQCSA-N 1 0 345.256 3.101 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2c(Cl)cccc2N(C)C)cc1 ZINC001326076628 1388109346 /nfs/dbraw/zinc/10/93/46/1388109346.db2.gz QUSUUWDHQOQYJW-SFHVURJKSA-N 1 0 346.906 3.262 20 10 EGCDRO Cc1cc(O)c(CN2CCCC[C@@](F)(C[NH3+])C2)cc1Br ZINC001206369433 1371035744 /nfs/dbraw/zinc/03/57/44/1371035744.db2.gz DYXDXXBOWBTYPO-OAHLLOKOSA-N 1 0 345.256 3.116 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](O)C34CCCC4)cc2)CC1 ZINC001117801099 1371089580 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COc1c[nH+]ccc1Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001211265317 1372515791 /nfs/dbraw/zinc/51/57/91/1372515791.db2.gz UBZRLZWWLYVPRB-UHFFFAOYSA-N 1 0 349.394 3.482 20 10 EGCDRO CC[C@@H]1CCC[C@]1(C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130261368 1373480840 /nfs/dbraw/zinc/48/08/40/1373480840.db2.gz AINSLLPKUMDLBS-XLIONFOSSA-N 1 0 332.488 3.426 20 10 EGCDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001217984886 1373526443 /nfs/dbraw/zinc/52/64/43/1373526443.db2.gz CPFJEZQLGFBMKZ-GUYCJALGSA-N 1 0 335.403 3.229 20 10 EGCDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001217984882 1373526459 /nfs/dbraw/zinc/52/64/59/1373526459.db2.gz CPFJEZQLGFBMKZ-DYVFJYSZSA-N 1 0 335.403 3.229 20 10 EGCDRO COC(=O)c1ccc([C@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001218054100 1373548917 /nfs/dbraw/zinc/54/89/17/1373548917.db2.gz IWSKJJZKXAAYQG-HNNXBMFYSA-N 1 0 340.423 3.023 20 10 EGCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCC[C@]34CC[NH2+]C4)ccc21 ZINC001218093057 1373558890 /nfs/dbraw/zinc/55/88/90/1373558890.db2.gz JUEVKSKBPSCQTC-SIKLNZKXSA-N 1 0 347.414 3.373 20 10 EGCDRO c1ccc(COC2CC(Oc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001218241878 1373581731 /nfs/dbraw/zinc/58/17/31/1373581731.db2.gz XHLPBDLRDCIHMT-UHFFFAOYSA-N 1 0 338.451 3.223 20 10 EGCDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001218315358 1373593655 /nfs/dbraw/zinc/59/36/55/1373593655.db2.gz GLZOFRZAVIHFLX-GOSISDBHSA-N 1 0 335.403 3.229 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccc(N)cc2)O1 ZINC001218390582 1373604757 /nfs/dbraw/zinc/60/47/57/1373604757.db2.gz ANZPWGJYKNWKNQ-LJQANCHMSA-N 1 0 326.440 3.327 20 10 EGCDRO Cc1cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c(O)cc1Br ZINC001222441253 1373845074 /nfs/dbraw/zinc/84/50/74/1373845074.db2.gz HOGCJXNUICXCEZ-MRXNPFEDSA-N 1 0 339.277 3.181 20 10 EGCDRO COc1ccc(Br)c(CN2CCc3cccnc3C2)c1O ZINC001231557114 1376263658 /nfs/dbraw/zinc/26/36/58/1376263658.db2.gz QHYPSDDWPVXDES-UHFFFAOYSA-N 1 0 349.228 3.117 20 10 EGCDRO Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1O ZINC001231592217 1376273208 /nfs/dbraw/zinc/27/32/08/1376273208.db2.gz PEJOPJBMMWSHLL-FQEVSTJZSA-N 1 0 332.488 3.023 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2cccc(C)c2O)Cc2cnn(CC)c21 ZINC001231592373 1376273428 /nfs/dbraw/zinc/27/34/28/1376273428.db2.gz MKFCUAXFWGLFBL-KRWDZBQOSA-N 1 0 329.444 3.053 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001231593601 1376273480 /nfs/dbraw/zinc/27/34/80/1376273480.db2.gz XEGNFOFGCNHYMF-AZUAARDMSA-N 1 0 331.456 3.251 20 10 EGCDRO COc1cc(C[NH+]2CCC(Oc3ccccc3C)CC2)c(O)cc1O ZINC001231635328 1376286269 /nfs/dbraw/zinc/28/62/69/1376286269.db2.gz WSCAJKPWYRGBQL-UHFFFAOYSA-N 1 0 343.423 3.458 20 10 EGCDRO COc1cc(C[NH+]2CCC(Sc3ccncc3)CC2)c(O)cc1O ZINC001231637719 1376288698 /nfs/dbraw/zinc/28/86/98/1376288698.db2.gz RBDZOAVBOZSIRI-UHFFFAOYSA-N 1 0 346.452 3.258 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(O)c1 ZINC001231845944 1376324928 /nfs/dbraw/zinc/32/49/28/1376324928.db2.gz VZSQTQSWBLLFNO-KRWDZBQOSA-N 1 0 330.472 3.234 20 10 EGCDRO Cc1cc(C)c(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC001231844378 1376325762 /nfs/dbraw/zinc/32/57/62/1376325762.db2.gz JXNLCYDOWYVZQL-UHFFFAOYSA-N 1 0 328.431 3.466 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)cc1Cl ZINC001231867104 1376328203 /nfs/dbraw/zinc/32/82/03/1376328203.db2.gz HQFGAJYSGHRWQZ-YGRLFVJLSA-N 1 0 337.769 3.489 20 10 EGCDRO FC1(F)C[C@@]12CC[N@H+](Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001232203550 1376417030 /nfs/dbraw/zinc/41/70/30/1376417030.db2.gz YMAIFWCOLOKTLR-MRXNPFEDSA-N 1 0 342.817 3.408 20 10 EGCDRO C[N@@H+]1CCN(Cc2cc(Cl)c(O)cc2O)[C@@H](c2ccccc2)C1 ZINC001232260390 1376426048 /nfs/dbraw/zinc/42/60/48/1376426048.db2.gz PDPDMGCXCCWVFK-MRXNPFEDSA-N 1 0 332.831 3.240 20 10 EGCDRO CC1CCC([NH+]2CCN(Cc3cc(Cl)c(O)cc3O)CC2)CC1 ZINC001232261363 1376426563 /nfs/dbraw/zinc/42/65/63/1376426563.db2.gz FDUJRFSJQBAUSR-UHFFFAOYSA-N 1 0 338.879 3.448 20 10 EGCDRO CC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233109552 1376570427 /nfs/dbraw/zinc/57/04/27/1376570427.db2.gz BIZVTRORNFFSCV-LBPRGKRZSA-N 1 0 326.234 3.264 20 10 EGCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233285667 1376605265 /nfs/dbraw/zinc/60/52/65/1376605265.db2.gz PGNNDWJFAFZYNQ-INIZCTEOSA-N 1 0 347.455 3.034 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](COCC3CC3)C2)c1O ZINC001233290739 1376605980 /nfs/dbraw/zinc/60/59/80/1376605980.db2.gz SYIKZYSJMNWSCX-ZDUSSCGKSA-N 1 0 325.836 3.303 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c1O ZINC001233289273 1376606532 /nfs/dbraw/zinc/60/65/32/1376606532.db2.gz PHHPIPQNKRUAGG-UGFHNGPFSA-N 1 0 325.836 3.301 20 10 EGCDRO CC[C@@H]1C[NH2+]CCN1Cc1ccc(OCc2ccccc2)cc1O ZINC001235773601 1376892682 /nfs/dbraw/zinc/89/26/82/1376892682.db2.gz OSKBYKGRCMRQSR-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)[C@@](C)(CO)C1 ZINC001237053804 1376972064 /nfs/dbraw/zinc/97/20/64/1376972064.db2.gz QVJMSTHVKCTGTF-MRXNPFEDSA-N 1 0 347.377 3.316 20 10 EGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001237061051 1376974114 /nfs/dbraw/zinc/97/41/14/1376974114.db2.gz ZZYAZLKCYBDCOD-OAHLLOKOSA-N 1 0 331.334 3.088 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3cccc(C)c3)CC2)c(O)c(OC)c1 ZINC001237675437 1376982600 /nfs/dbraw/zinc/98/26/00/1376982600.db2.gz XLPUGXHCDHEBNX-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@](C)(O)C2)cc1Br ZINC001237675709 1376982807 /nfs/dbraw/zinc/98/28/07/1376982807.db2.gz AEFHYYFEQBOFNG-OAHLLOKOSA-N 1 0 328.250 3.200 20 10 EGCDRO CC[C@H]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001136084575 1377338141 /nfs/dbraw/zinc/33/81/41/1377338141.db2.gz OBWZFSUMEPECMW-ROUUACIJSA-N 1 0 332.488 3.426 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137831498 1377624108 /nfs/dbraw/zinc/62/41/08/1377624108.db2.gz BUMLMGABRFPRCE-CYBMUJFWSA-N 1 0 338.423 3.411 20 10 EGCDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001138216601 1377690504 /nfs/dbraw/zinc/69/05/04/1377690504.db2.gz CUWBFFLQIIZNGQ-OAQYLSRUSA-N 1 0 341.499 3.264 20 10 EGCDRO CN1C(=O)CCC12CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138222160 1377690808 /nfs/dbraw/zinc/69/08/08/1377690808.db2.gz JCIZOEHZNAXUEE-UHFFFAOYSA-N 1 0 341.499 3.264 20 10 EGCDRO Cc1c(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c2ccccc2n1C ZINC001138260081 1377695824 /nfs/dbraw/zinc/69/58/24/1377695824.db2.gz UFLKVPNTPJNANZ-QGZVFWFLSA-N 1 0 339.483 3.367 20 10 EGCDRO CCOCC1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138339955 1377705611 /nfs/dbraw/zinc/70/56/11/1377705611.db2.gz OIBSKWFMBMDMHF-UHFFFAOYSA-N 1 0 344.499 3.340 20 10 EGCDRO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138340698 1377705832 /nfs/dbraw/zinc/70/58/32/1377705832.db2.gz ZXMYWUZVLFMCMN-CALCHBBNSA-N 1 0 340.467 3.177 20 10 EGCDRO CCN1C(=O)CCC12CC[NH+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138355142 1377708361 /nfs/dbraw/zinc/70/83/61/1377708361.db2.gz IOHMUACQWFYUEZ-UHFFFAOYSA-N 1 0 341.499 3.046 20 10 EGCDRO CC[C@H]1[N@H+](Cc2ccc(N(C)C)c(C)c2)CCC[C@]12CCC(=O)N2 ZINC001139672186 1377930902 /nfs/dbraw/zinc/93/09/02/1377930902.db2.gz UFSDWSBDUQHHIY-QUCCMNQESA-N 1 0 329.488 3.084 20 10 EGCDRO Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674240 1377931239 /nfs/dbraw/zinc/93/12/39/1377931239.db2.gz QTJYQTFNIYBZBQ-GOSISDBHSA-N 1 0 325.456 3.418 20 10 EGCDRO Cc1cc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)ccc1N(C)C ZINC001139674587 1377932383 /nfs/dbraw/zinc/93/23/83/1377932383.db2.gz XGYYBXFVKYAJNM-UHFFFAOYSA-N 1 0 344.434 3.034 20 10 EGCDRO Cc1nc2cc(C)ccn2c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001139679609 1377933120 /nfs/dbraw/zinc/93/31/20/1377933120.db2.gz JKQZDYLTIHUIHW-UHFFFAOYSA-N 1 0 337.423 3.311 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC001140179683 1378026244 /nfs/dbraw/zinc/02/62/44/1378026244.db2.gz LRSRXZLONDUEHS-UHFFFAOYSA-N 1 0 342.414 3.106 20 10 EGCDRO COC[C@@H]1COCCC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140178932 1378026314 /nfs/dbraw/zinc/02/63/14/1378026314.db2.gz DCFLFJZNNZYQNU-QGZVFWFLSA-N 1 0 333.472 3.274 20 10 EGCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001140178242 1378026345 /nfs/dbraw/zinc/02/63/45/1378026345.db2.gz FBLBQQUOUSLVFF-XGBSXSJOSA-N 1 0 346.471 3.212 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c1O ZINC001140182297 1378026954 /nfs/dbraw/zinc/02/69/54/1378026954.db2.gz NVXVKQSJAARDDH-UHFFFAOYSA-N 1 0 339.439 3.359 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)Cc2nn(CC)cc21 ZINC001140181178 1378026969 /nfs/dbraw/zinc/02/69/69/1378026969.db2.gz PDGDQCNMNTWIGO-MRXNPFEDSA-N 1 0 343.471 3.361 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1O ZINC001140181684 1378027040 /nfs/dbraw/zinc/02/70/40/1378027040.db2.gz VADPLLMRDDOCFG-DOTOQJQBSA-N 1 0 346.471 3.450 20 10 EGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140185189 1378027948 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EGCDRO Cc1ccc(O)c(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001140620105 1378099341 /nfs/dbraw/zinc/09/93/41/1378099341.db2.gz CJGDWSAIZILAHU-PZJWPPBQSA-N 1 0 344.499 3.023 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2cn(CC)nc21 ZINC001140620111 1378099428 /nfs/dbraw/zinc/09/94/28/1378099428.db2.gz CMFYJEFEQTWEIW-QGZVFWFLSA-N 1 0 329.444 3.053 20 10 EGCDRO Cc1ccc(O)c(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)c1 ZINC001140620576 1378099527 /nfs/dbraw/zinc/09/95/27/1378099527.db2.gz TTZIVUZNQXZKLD-UYAOXDASSA-N 1 0 338.451 3.038 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(N(C)C(=O)c3ccccc3)CC2)c1 ZINC001140624424 1378100319 /nfs/dbraw/zinc/10/03/19/1378100319.db2.gz WEFPYUOFXOSMNF-UHFFFAOYSA-N 1 0 338.451 3.437 20 10 EGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661714 1378108674 /nfs/dbraw/zinc/10/86/74/1378108674.db2.gz OSHHQKRINIBQBZ-QGZVFWFLSA-N 1 0 336.451 3.053 20 10 EGCDRO Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140747524 1378128878 /nfs/dbraw/zinc/12/88/78/1378128878.db2.gz DGWFKHUIVOUDQH-UHFFFAOYSA-N 1 0 330.403 3.176 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3c[nH]c4ccncc34)CC2)cc1 ZINC001140805864 1378143419 /nfs/dbraw/zinc/14/34/19/1378143419.db2.gz ONHDSKJKKTWZRC-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N(CC)CC)cc2O)CC1 ZINC001140852815 1378158117 /nfs/dbraw/zinc/15/81/17/1378158117.db2.gz AIYTVWRFRVVTOC-UHFFFAOYSA-N 1 0 348.487 3.404 20 10 EGCDRO Cc1ccc(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140948010 1378188641 /nfs/dbraw/zinc/18/86/41/1378188641.db2.gz PFCLJSNJEWJCOT-UHFFFAOYSA-N 1 0 332.444 3.286 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(C)cn4n3)CC2)c(O)c1 ZINC001140949731 1378189744 /nfs/dbraw/zinc/18/97/44/1378189744.db2.gz HDEPUFIQKAMPAI-UHFFFAOYSA-N 1 0 336.439 3.431 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@H]1c1ccccc1 ZINC001140954488 1378191904 /nfs/dbraw/zinc/19/19/04/1378191904.db2.gz UIEYJVHZLYVMFA-ROUUACIJSA-N 1 0 325.408 3.089 20 10 EGCDRO c1c(C[N@@H+]2CCC3(C2)CCOCC3)cc2c3c1CCCN3CCC2 ZINC001141076680 1378232450 /nfs/dbraw/zinc/23/24/50/1378232450.db2.gz ZDGBBESZFZRAHL-UHFFFAOYSA-N 1 0 326.484 3.388 20 10 EGCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076445 1378232664 /nfs/dbraw/zinc/23/26/64/1378232664.db2.gz RZEDLCCSCQJUIU-KXBFYZLASA-N 1 0 342.483 3.016 20 10 EGCDRO Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)cc1 ZINC001141138946 1378247528 /nfs/dbraw/zinc/24/75/28/1378247528.db2.gz FMSUGAIEAHHEAK-UHFFFAOYSA-N 1 0 337.467 3.146 20 10 EGCDRO CN(CC[N@H+](C)Cc1ccccc1)Cc1ccc2c(c1)OCCN2C ZINC001141146300 1378248480 /nfs/dbraw/zinc/24/84/80/1378248480.db2.gz RHQBZNFNYUGIBM-UHFFFAOYSA-N 1 0 339.483 3.079 20 10 EGCDRO COC(=O)c1cccc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)c1 ZINC001141161253 1378254408 /nfs/dbraw/zinc/25/44/08/1378254408.db2.gz QAIFMSNVALLQDV-UHFFFAOYSA-N 1 0 341.407 3.264 20 10 EGCDRO C[N@H+](Cc1[nH]cnc1C(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC001142226477 1378422596 /nfs/dbraw/zinc/42/25/96/1378422596.db2.gz MEIBKOPALYOWFG-UHFFFAOYSA-N 1 0 342.487 3.176 20 10 EGCDRO Cc1ccccc1/N=N/c1ccc(NC(=O)CN(C)C(N)=[NH2+])c(C)c1 ZINC001144140898 1378687755 /nfs/dbraw/zinc/68/77/55/1378687755.db2.gz NMKYPLWZQXCEFS-GHVJWSGMSA-N 1 0 338.415 3.483 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)c(O)c1 ZINC001144515372 1378739646 /nfs/dbraw/zinc/73/96/46/1378739646.db2.gz LRIFZBPZWDOMRQ-AWEZNQCLSA-N 1 0 335.400 3.309 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(CC(C)C)c[nH]2)cc1C ZINC001148038315 1379108488 /nfs/dbraw/zinc/10/84/88/1379108488.db2.gz KUTOWUSSCQCZIA-UHFFFAOYSA-N 1 0 343.471 3.050 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2sc(C)cc2C)cc1C ZINC001149412925 1379379346 /nfs/dbraw/zinc/37/93/46/1379379346.db2.gz OLTHBEAKAIKKSV-UHFFFAOYSA-N 1 0 346.496 3.130 20 10 EGCDRO Fc1ccc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nn1 ZINC001155630079 1380476161 /nfs/dbraw/zinc/47/61/61/1380476161.db2.gz QAWTZSYIBIMFGJ-WFXMFSGNSA-N 1 0 328.435 3.015 20 10 EGCDRO Cc1nc(Cl)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001156651881 1380604400 /nfs/dbraw/zinc/60/44/00/1380604400.db2.gz RUZGRPSOXUZPPT-UHFFFAOYSA-N 1 0 345.878 3.111 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cc(C(C)(C)C)ncn3)cc2)CC1 ZINC001156657253 1380605977 /nfs/dbraw/zinc/60/59/77/1380605977.db2.gz JSBRILHURWPYJK-UHFFFAOYSA-N 1 0 339.487 3.138 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccoc2Cl)cc1C ZINC001157195513 1380805767 /nfs/dbraw/zinc/80/57/67/1380805767.db2.gz ZNHWYBWFDJUDJY-UHFFFAOYSA-N 1 0 336.819 3.160 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CCC[C@H]2C)cc1C ZINC001158619097 1381325493 /nfs/dbraw/zinc/32/54/93/1381325493.db2.gz SPJKSTGZJPFWOI-CRAIPNDOSA-N 1 0 332.488 3.426 20 10 EGCDRO CN(C)c1ccc(/C=C/C(=O)N(CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001161258281 1382354823 /nfs/dbraw/zinc/35/48/23/1382354823.db2.gz JMBUHXOIVBGVLF-DHZHZOJOSA-N 1 0 343.515 3.393 20 10 EGCDRO CC[C@H](C)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163503653 1383066658 /nfs/dbraw/zinc/06/66/58/1383066658.db2.gz JSOPOFYNNHNZJW-HNNXBMFYSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[C@H]2C)cc1C ZINC001165412866 1383290857 /nfs/dbraw/zinc/29/08/57/1383290857.db2.gz YSQGUYFREUZXPR-QAPCUYQASA-N 1 0 332.488 3.426 20 10 EGCDRO CCOc1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1C ZINC001167374695 1383614511 /nfs/dbraw/zinc/61/45/11/1383614511.db2.gz SCDYDCXYOKJPJX-UHFFFAOYSA-N 1 0 326.440 3.128 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc4ncsc4n3)cc2)CC1 ZINC001167426473 1383630914 /nfs/dbraw/zinc/63/09/14/1383630914.db2.gz GGVIPAJWKUEUOT-UHFFFAOYSA-N 1 0 339.468 3.055 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ncccc3C(F)F)cc2)CC1 ZINC001167427119 1383631377 /nfs/dbraw/zinc/63/13/77/1383631377.db2.gz YLTJJUMFBODWBM-UHFFFAOYSA-N 1 0 332.398 3.383 20 10 EGCDRO CCOc1cc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167434369 1383633020 /nfs/dbraw/zinc/63/30/20/1383633020.db2.gz KTQGZRFZLCDZCO-UHFFFAOYSA-N 1 0 340.471 3.153 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)Cc2ccco2)cc1C ZINC001168174082 1383834238 /nfs/dbraw/zinc/83/42/38/1383834238.db2.gz BLEASZQWYMDMPI-INIZCTEOSA-N 1 0 344.455 3.071 20 10 EGCDRO CSCC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C)C(=O)N(C)C ZINC001328970973 1388912277 /nfs/dbraw/zinc/91/22/77/1388912277.db2.gz DAXCZTJPZMMAIT-IHRRRGAJSA-N 1 0 336.501 3.048 20 10 EGCDRO Nc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001335730104 1388912933 /nfs/dbraw/zinc/91/29/33/1388912933.db2.gz ISKLQPUOACMLHO-SFHVURJKSA-N 1 0 344.503 3.066 20 10 EGCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCc3c(Cl)cccc3C2)cc1O ZINC001171017602 1384430437 /nfs/dbraw/zinc/43/04/37/1384430437.db2.gz JLYZHKXFFRPHDE-ZDUSSCGKSA-N 1 0 333.815 3.146 20 10 EGCDRO CCN1CC[C@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1=O ZINC001172045197 1384713096 /nfs/dbraw/zinc/71/30/96/1384713096.db2.gz ZWGSDSCASSUWFL-LIRRHRJNSA-N 1 0 330.472 3.233 20 10 EGCDRO COC(=O)CCCC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001173441384 1384970514 /nfs/dbraw/zinc/97/05/14/1384970514.db2.gz OTOPIILHZFQXJI-NSHDSACASA-N 1 0 344.249 3.366 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)C1 ZINC001318565815 1385760168 /nfs/dbraw/zinc/76/01/68/1385760168.db2.gz CSTFTKNXONHMDV-JTDSTZFVSA-N 1 0 333.495 3.492 20 10 EGCDRO Cc1cc(C(=O)NCC[NH+]2CC=CC2)c(C)n1-c1cccc(Cl)c1 ZINC001319096862 1385959954 /nfs/dbraw/zinc/95/99/54/1385959954.db2.gz ATDCXVTXRKKKMI-UHFFFAOYSA-N 1 0 343.858 3.349 20 10 EGCDRO COc1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC001319573483 1386185526 /nfs/dbraw/zinc/18/55/26/1386185526.db2.gz RLZYPXWYIBGMST-INIZCTEOSA-N 1 0 332.488 3.368 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC001320123610 1386526898 /nfs/dbraw/zinc/52/68/98/1386526898.db2.gz SWKIBKVOHLXXML-IKGGRYGDSA-N 1 0 332.488 3.195 20 10 EGCDRO CN(C)c1ccc(/C=C/C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC001180130333 1386706497 /nfs/dbraw/zinc/70/64/97/1386706497.db2.gz INYNQDNXAYBRCG-NTEUORMPSA-N 1 0 329.488 3.002 20 10 EGCDRO CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001180253946 1386747679 /nfs/dbraw/zinc/74/76/79/1386747679.db2.gz PVYWYJASGIQGDK-WWGRRREGSA-N 1 0 345.447 3.088 20 10 EGCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC001322333444 1387161319 /nfs/dbraw/zinc/16/13/19/1387161319.db2.gz HYTOPSKZRYHUBJ-FUHIMQAGSA-N 1 0 330.472 3.055 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001330319646 1389386970 /nfs/dbraw/zinc/38/69/70/1389386970.db2.gz HJTHRLOPOSJWTH-KFWWJZLASA-N 1 0 330.472 3.486 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001331526374 1389783310 /nfs/dbraw/zinc/78/33/10/1389783310.db2.gz WSASBECZBYTYDY-GOSISDBHSA-N 1 0 338.451 3.474 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c(O)c1OC ZINC001333706910 1390379648 /nfs/dbraw/zinc/37/96/48/1390379648.db2.gz LXHSSBAIANKFMX-OAHLLOKOSA-N 1 0 342.439 3.026 20 10 EGCDRO COCC[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccnc1 ZINC001343287861 1390705340 /nfs/dbraw/zinc/70/53/40/1390705340.db2.gz YGMBJJINGATZLV-UHFFFAOYSA-N 1 0 325.456 3.330 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](O)Cc1ccccc1 ZINC001351330626 1391628135 /nfs/dbraw/zinc/62/81/35/1391628135.db2.gz LBLANYDQSOHYAP-BFUOFWGJSA-N 1 0 334.410 3.113 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2ccc(C)o2)cc1C ZINC001484991409 1395635470 /nfs/dbraw/zinc/63/54/70/1395635470.db2.gz LWPISOAOHFUYCW-HNNXBMFYSA-N 1 0 344.455 3.132 20 10 EGCDRO CC[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753483013 1440417014 /nfs/dbraw/zinc/41/70/14/1440417014.db2.gz LDAMCOPLHICUDX-FUHIMQAGSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC2(C)C)cc1C ZINC001753640621 1440454326 /nfs/dbraw/zinc/45/43/26/1440454326.db2.gz STTKIGFYKDRJIO-RHSMWYFYSA-N 1 0 332.488 3.282 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2ccc(C)o2)cc1C ZINC001753686202 1440465535 /nfs/dbraw/zinc/46/55/35/1440465535.db2.gz SYFLTEAXDRJPMG-HNNXBMFYSA-N 1 0 344.455 3.084 20 10 EGCDRO C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001754027396 1440533343 /nfs/dbraw/zinc/53/33/43/1440533343.db2.gz XPGLMIORNBYEPH-ZDUSSCGKSA-N 1 0 347.463 3.383 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1(CF)CCC1 ZINC001754067937 1440537692 /nfs/dbraw/zinc/53/76/92/1440537692.db2.gz PHZGSECQKVVONA-UHFFFAOYSA-N 1 0 336.451 3.082 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)C2(F)CCCC2)C2CC2)cc1C ZINC001754445841 1440599911 /nfs/dbraw/zinc/59/99/11/1440599911.db2.gz WOEHOLJXUZLTED-KRWDZBQOSA-N 1 0 348.462 3.270 20 10 EGCDRO CCC[NH2+]CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001755356658 1440829813 /nfs/dbraw/zinc/82/98/13/1440829813.db2.gz UFOVWPJFVCCGIP-UHFFFAOYSA-N 1 0 345.447 3.281 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)ccc1OC ZINC000189003882 1126077710 /nfs/dbraw/zinc/07/77/10/1126077710.db2.gz LHODXOZDSGQZRP-HXUWFJFHSA-N 1 0 343.467 3.233 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)ccc1OC ZINC000188965839 1126077317 /nfs/dbraw/zinc/07/73/17/1126077317.db2.gz MORSRSJBLRICNL-FQEVSTJZSA-N 1 0 343.467 3.233 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000180678084 455225748 /nfs/dbraw/zinc/22/57/48/455225748.db2.gz IRCIAPVUXMBRCI-NPMABZOXSA-N 1 0 333.453 3.331 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000183381387 455285214 /nfs/dbraw/zinc/28/52/14/455285214.db2.gz WUXJKQBUQUDAEF-CQSZACIVSA-N 1 0 338.411 3.175 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)cc1 ZINC000183432844 455291519 /nfs/dbraw/zinc/29/15/19/455291519.db2.gz LWAHVJUBRZLKKC-FXAWDEMLSA-N 1 0 340.467 3.425 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccn3C)cc2F)C[C@H](C)O1 ZINC000265660615 455358052 /nfs/dbraw/zinc/35/80/52/455358052.db2.gz RLXPXEHDCHBGSP-GASCZTMLSA-N 1 0 331.435 3.068 20 10 EGCDRO CCOc1cccc(C[NH2+]CCCc2nc3ccccc3n2C)c1O ZINC000076901245 454047341 /nfs/dbraw/zinc/04/73/41/454047341.db2.gz RCUOOBYJBKQVAX-UHFFFAOYSA-N 1 0 339.439 3.400 20 10 EGCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000077164720 454069334 /nfs/dbraw/zinc/06/93/34/454069334.db2.gz PCEDFDCWPUXKQC-AWEZNQCLSA-N 1 0 331.437 3.026 20 10 EGCDRO Cc1cc(O)c(CN(C)Cc2ccc(S(C)(=O)=O)cc2)cc1C ZINC000265878149 455397740 /nfs/dbraw/zinc/39/77/40/455397740.db2.gz LLWVQGOKPYZLQZ-UHFFFAOYSA-N 1 0 333.453 3.045 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000071004442 454192421 /nfs/dbraw/zinc/19/24/21/454192421.db2.gz XIYYJIQQGCQZHV-UHFFFAOYSA-N 1 0 326.440 3.164 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000074333666 454566835 /nfs/dbraw/zinc/56/68/35/454566835.db2.gz PUPOKONLDJDBJD-UHFFFAOYSA-N 1 0 326.440 3.155 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000123659607 454662166 /nfs/dbraw/zinc/66/21/66/454662166.db2.gz DKTSDPMMEZGQQN-KXBFYZLASA-N 1 0 344.430 3.047 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2cn3cccc(C)c3n2)c(O)c1 ZINC000124020615 454693891 /nfs/dbraw/zinc/69/38/91/454693891.db2.gz WMEUMERVJMZBBA-UHFFFAOYSA-N 1 0 325.412 3.427 20 10 EGCDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(C)c(C)cc2O)c1 ZINC000093361482 454708998 /nfs/dbraw/zinc/70/89/98/454708998.db2.gz OCHSKMHMMRBTET-UHFFFAOYSA-N 1 0 345.439 3.021 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)cc1C ZINC000093413283 454714062 /nfs/dbraw/zinc/71/40/62/454714062.db2.gz XLALZZBPLUAWPY-KRWDZBQOSA-N 1 0 325.456 3.283 20 10 EGCDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093889863 454744597 /nfs/dbraw/zinc/74/45/97/454744597.db2.gz VRGUJPIYPHATAL-OIRASMEMSA-N 1 0 347.436 3.051 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000177037213 454815055 /nfs/dbraw/zinc/81/50/55/454815055.db2.gz NSCZPPNSQIAQBH-GFCCVEGCSA-N 1 0 333.819 3.351 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c1 ZINC000184911251 455471819 /nfs/dbraw/zinc/47/18/19/455471819.db2.gz JQYNPVXZLGZAGR-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000154560067 454907304 /nfs/dbraw/zinc/90/73/04/454907304.db2.gz FGHBWVYMRUHLTR-AWEZNQCLSA-N 1 0 327.380 3.119 20 10 EGCDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166472513 454911931 /nfs/dbraw/zinc/91/19/31/454911931.db2.gz VMEVBLSWNRSZNO-GOSISDBHSA-N 1 0 349.544 3.152 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000177872871 454914165 /nfs/dbraw/zinc/91/41/65/454914165.db2.gz ANDHUEZXAHWKEH-PBHICJAKSA-N 1 0 333.451 3.135 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC000185053954 455493223 /nfs/dbraw/zinc/49/32/23/455493223.db2.gz WEWTVZNEHPJZOT-INIZCTEOSA-N 1 0 325.456 3.411 20 10 EGCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178368671 454953058 /nfs/dbraw/zinc/95/30/58/454953058.db2.gz KDONGSMRQNRMQI-BEFAXECRSA-N 1 0 338.467 3.254 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]CC3=CCCOC3)C2)cc1 ZINC000127613731 454981950 /nfs/dbraw/zinc/98/19/50/454981950.db2.gz CNMXRWZLWQUDFK-OAHLLOKOSA-N 1 0 338.398 3.193 20 10 EGCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000179003542 454998270 /nfs/dbraw/zinc/99/82/70/454998270.db2.gz WTAPAAOQWYFSTE-QGZVFWFLSA-N 1 0 325.456 3.084 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2ccc(OC)c(O)c2)ccc1OC ZINC000171134682 455034899 /nfs/dbraw/zinc/03/48/99/455034899.db2.gz GPNMRCDOKYLNQK-UHFFFAOYSA-N 1 0 331.412 3.236 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCCC[NH+]1CCCCC1 ZINC000171780516 455093721 /nfs/dbraw/zinc/09/37/21/455093721.db2.gz GNEFTFPZGRNGEK-UHFFFAOYSA-N 1 0 333.476 3.190 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000179916800 455098330 /nfs/dbraw/zinc/09/83/30/455098330.db2.gz QMTKSCLTFHKBSM-UHFFFAOYSA-N 1 0 329.488 3.023 20 10 EGCDRO Cc1cccc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000180055861 455124607 /nfs/dbraw/zinc/12/46/07/455124607.db2.gz FUQDPAFKJCMCBH-OAHLLOKOSA-N 1 0 334.460 3.389 20 10 EGCDRO CCOC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130088070 455142216 /nfs/dbraw/zinc/14/22/16/455142216.db2.gz DXTJJBQOPQGENK-ZIAGYGMSSA-N 1 0 328.403 3.271 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1O ZINC000189281872 455169255 /nfs/dbraw/zinc/16/92/55/455169255.db2.gz GIUWFECJKYUBJV-WZRBSPASSA-N 1 0 328.250 3.275 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000189281933 455169616 /nfs/dbraw/zinc/16/96/16/455169616.db2.gz GIUWFECJKYUBJV-GVXVVHGQSA-N 1 0 328.250 3.275 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1O ZINC000237500499 455190143 /nfs/dbraw/zinc/19/01/43/455190143.db2.gz JMEKAAWGHYBTQI-LJQANCHMSA-N 1 0 341.407 3.413 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000181068535 455283303 /nfs/dbraw/zinc/28/33/03/455283303.db2.gz AFIOICDSNGSUIN-QGZVFWFLSA-N 1 0 330.428 3.229 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1O ZINC000183442439 455293364 /nfs/dbraw/zinc/29/33/64/455293364.db2.gz GXINFBKAAZGUPP-INIZCTEOSA-N 1 0 340.467 3.452 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1 ZINC000265133341 455300836 /nfs/dbraw/zinc/30/08/36/455300836.db2.gz JKXHRGWMIMQOJO-SFHVURJKSA-N 1 0 337.366 3.066 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000181615013 455363196 /nfs/dbraw/zinc/36/31/96/455363196.db2.gz SEYBQBFXWARTRB-KRWDZBQOSA-N 1 0 330.428 3.311 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)cc3F)c2)CC1 ZINC000184280343 455367902 /nfs/dbraw/zinc/36/79/02/455367902.db2.gz WVKIWXYBQNQRCG-UHFFFAOYSA-N 1 0 345.393 3.359 20 10 EGCDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000184296399 455368663 /nfs/dbraw/zinc/36/86/63/455368663.db2.gz CCKHHJNUSHVWFG-FBJOKTGGSA-N 1 0 326.481 3.234 20 10 EGCDRO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000245954717 455406312 /nfs/dbraw/zinc/40/63/12/455406312.db2.gz QIMNMALHMQPAIH-HEHGZKQESA-N 1 0 326.387 3.024 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1OC ZINC000159907854 455414713 /nfs/dbraw/zinc/41/47/13/455414713.db2.gz KDWPNHNXNMMOHK-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1O ZINC000184694789 455429561 /nfs/dbraw/zinc/42/95/61/455429561.db2.gz UGJLKMMLCZFLQJ-INIZCTEOSA-N 1 0 333.815 3.146 20 10 EGCDRO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000191123623 455447638 /nfs/dbraw/zinc/44/76/38/455447638.db2.gz SUJWYGSKFUPYQT-IBGZPJMESA-N 1 0 342.414 3.276 20 10 EGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)C12CCC2 ZINC000160429244 455457711 /nfs/dbraw/zinc/45/77/11/455457711.db2.gz OYJWXXVVQWUQEB-MSOLQXFVSA-N 1 0 335.444 3.189 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000184919152 455472583 /nfs/dbraw/zinc/47/25/83/455472583.db2.gz WJOPDPOAIWBJPH-FXAWDEMLSA-N 1 0 340.467 3.425 20 10 EGCDRO Cc1noc(C2CCC([NH2+]Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000267833292 455555697 /nfs/dbraw/zinc/55/56/97/455555697.db2.gz WYLUIYYSOPVCIW-UHFFFAOYSA-N 1 0 332.423 3.399 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464260 455560594 /nfs/dbraw/zinc/56/05/94/455560594.db2.gz OESZLNBSLCVYIV-ZFWWWQNUSA-N 1 0 340.423 3.136 20 10 EGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185486810 455564563 /nfs/dbraw/zinc/56/45/63/455564563.db2.gz PBOVOMAYSGGVQH-YJYMSZOUSA-N 1 0 331.412 3.102 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1O ZINC000185531722 455574225 /nfs/dbraw/zinc/57/42/25/455574225.db2.gz RLIWJUJKDPMUFZ-GYSYKLTISA-N 1 0 328.250 3.356 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](CN(C)C)c2ccc(OC)cc2)c1O ZINC000283803439 455596404 /nfs/dbraw/zinc/59/64/04/455596404.db2.gz AUKFUBCEQVUYNN-GOSISDBHSA-N 1 0 344.455 3.192 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1C ZINC000271349498 455606853 /nfs/dbraw/zinc/60/68/53/455606853.db2.gz PKUSRDLRBGVTCQ-OAHLLOKOSA-N 1 0 326.444 3.384 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(Br)cc1O ZINC000185736627 455610486 /nfs/dbraw/zinc/61/04/86/455610486.db2.gz SMAGUEZGOUVXNH-GMXVVIOVSA-N 1 0 328.250 3.356 20 10 EGCDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000185953012 455661377 /nfs/dbraw/zinc/66/13/77/455661377.db2.gz JZWXKUCIDPVDIN-GFCCVEGCSA-N 1 0 348.830 3.135 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271557270 455683902 /nfs/dbraw/zinc/68/39/02/455683902.db2.gz NRQKNEZCYOOTCI-BZUAXINKSA-N 1 0 336.451 3.128 20 10 EGCDRO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000268796383 455714633 /nfs/dbraw/zinc/71/46/33/455714633.db2.gz IINNFNDSKROPNV-INIZCTEOSA-N 1 0 346.496 3.018 20 10 EGCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(Br)cc1O ZINC000248495539 455717018 /nfs/dbraw/zinc/71/70/18/455717018.db2.gz KWWQKQYLPKUSGX-UDTVLSCZSA-N 1 0 348.240 3.464 20 10 EGCDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000268947377 455740611 /nfs/dbraw/zinc/74/06/11/455740611.db2.gz WYQXTNSZWWWHTD-INIZCTEOSA-N 1 0 338.517 3.152 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)ccc1OC ZINC000284907134 455759679 /nfs/dbraw/zinc/75/96/79/455759679.db2.gz HVXMBTFXFMROIL-AZUAARDMSA-N 1 0 342.439 3.247 20 10 EGCDRO COc1ccc(N2CCCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000193475580 455761269 /nfs/dbraw/zinc/76/12/69/455761269.db2.gz WLLCGLJRHHVXMT-UHFFFAOYSA-N 1 0 331.504 3.083 20 10 EGCDRO C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000186517999 455785298 /nfs/dbraw/zinc/78/52/98/455785298.db2.gz KMJGFCPXQBYFAP-GFCCVEGCSA-N 1 0 326.412 3.487 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000293722999 455795887 /nfs/dbraw/zinc/79/58/87/455795887.db2.gz PRSHGCYDHCTABQ-KBPBESRZSA-N 1 0 330.403 3.469 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000293723030 455796087 /nfs/dbraw/zinc/79/60/87/455796087.db2.gz PRSHGCYDHCTABQ-ZIAGYGMSSA-N 1 0 330.403 3.469 20 10 EGCDRO Cc1nnsc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000293780512 455797156 /nfs/dbraw/zinc/79/71/56/455797156.db2.gz TWXLEXPMQAZLAH-SSDOTTSWSA-N 1 0 328.235 3.165 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1O ZINC000271902592 455797669 /nfs/dbraw/zinc/79/76/69/455797669.db2.gz ZPBJJGCUMYPPLJ-FZMZJTMJSA-N 1 0 328.250 3.198 20 10 EGCDRO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000293909283 455800619 /nfs/dbraw/zinc/80/06/19/455800619.db2.gz LRPOZEXZJJXJSF-IBGZPJMESA-N 1 0 343.398 3.392 20 10 EGCDRO COc1cccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1O ZINC000186590133 455800755 /nfs/dbraw/zinc/80/07/55/455800755.db2.gz MVBMTVFWUBLQCX-UHFFFAOYSA-N 1 0 345.414 3.110 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCCO1 ZINC000295304782 455845302 /nfs/dbraw/zinc/84/53/02/455845302.db2.gz KJBYZPGDSBCDDS-IBGZPJMESA-N 1 0 332.488 3.303 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2F)C[C@H](C)O1 ZINC000278844623 455849826 /nfs/dbraw/zinc/84/98/26/455849826.db2.gz KHRSSBVQQYAGQI-UXLLHSPISA-N 1 0 334.435 3.222 20 10 EGCDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cn2)n1 ZINC000295960140 455864292 /nfs/dbraw/zinc/86/42/92/455864292.db2.gz MBCSEKNPYDWUHG-QGZVFWFLSA-N 1 0 334.423 3.367 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000272318048 455912015 /nfs/dbraw/zinc/91/20/15/455912015.db2.gz SURQGIQZZANEMH-NVXWUHKLSA-N 1 0 325.456 3.212 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000187673511 455937364 /nfs/dbraw/zinc/93/73/64/455937364.db2.gz MRODMMLFMLMEBC-RTBURBONSA-N 1 0 327.424 3.364 20 10 EGCDRO OCc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000272496836 455970838 /nfs/dbraw/zinc/97/08/38/455970838.db2.gz NKVDZUMVWFOPJU-IBGZPJMESA-N 1 0 327.424 3.066 20 10 EGCDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296624442 455992767 /nfs/dbraw/zinc/99/27/67/455992767.db2.gz ZLNOTOHPTPIFCE-DLBZAZTESA-N 1 0 337.423 3.276 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1F ZINC000272657294 456028745 /nfs/dbraw/zinc/02/87/45/456028745.db2.gz GSWCRDABJDSUNE-UHFFFAOYSA-N 1 0 334.464 3.107 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000286854938 456056022 /nfs/dbraw/zinc/05/60/22/456056022.db2.gz ASFTVFYNIREUMM-UGSOOPFHSA-N 1 0 332.419 3.493 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1O ZINC000287169105 456062514 /nfs/dbraw/zinc/06/25/14/456062514.db2.gz UNOZUDIKVWPLBG-KBPBESRZSA-N 1 0 333.453 3.021 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccccc1O ZINC000287449222 456068999 /nfs/dbraw/zinc/06/89/99/456068999.db2.gz UXVKWGJJBGMOLB-YJBOKZPZSA-N 1 0 342.439 3.443 20 10 EGCDRO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1O ZINC000188514673 456076438 /nfs/dbraw/zinc/07/64/38/456076438.db2.gz BQCWHURQGMVRDH-NSHDSACASA-N 1 0 334.357 3.456 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287730837 456076368 /nfs/dbraw/zinc/07/63/68/456076368.db2.gz YKKDONJPZSUFDN-JKSUJKDBSA-N 1 0 331.460 3.031 20 10 EGCDRO C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4cccc(O)c43)nc2)C1 ZINC000296967089 456077942 /nfs/dbraw/zinc/07/79/42/456077942.db2.gz RJULCPAYOGLGQA-IAGOWNOFSA-N 1 0 338.455 3.027 20 10 EGCDRO COc1cc(OC)cc(OCC[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297021884 456095102 /nfs/dbraw/zinc/09/51/02/456095102.db2.gz UHTVFOKCULATGY-KRWDZBQOSA-N 1 0 329.396 3.065 20 10 EGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(N(C)C)nc1 ZINC000271084967 456121801 /nfs/dbraw/zinc/12/18/01/456121801.db2.gz SWNVOEWGMXOUCD-UHFFFAOYSA-N 1 0 327.476 3.019 20 10 EGCDRO CCOc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000271099492 456126298 /nfs/dbraw/zinc/12/62/98/456126298.db2.gz ORMNSFWKUAFFBC-UHFFFAOYSA-N 1 0 340.423 3.054 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC000289532329 456128691 /nfs/dbraw/zinc/12/86/91/456128691.db2.gz HRICWTFAUOWLJB-INIZCTEOSA-N 1 0 347.377 3.460 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1OC ZINC000272988566 456136938 /nfs/dbraw/zinc/13/69/38/456136938.db2.gz WJQDAWJFEAMNTE-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO CCCOc1ccc(C[N@H+](CCOC)Cc2ccccn2)c(O)c1 ZINC000289720402 456137658 /nfs/dbraw/zinc/13/76/58/456137658.db2.gz HGOKEWXJCOOJLE-UHFFFAOYSA-N 1 0 330.428 3.225 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1F ZINC000289870041 456162180 /nfs/dbraw/zinc/16/21/80/456162180.db2.gz VSQIQNSAXYFBAT-HNNXBMFYSA-N 1 0 334.357 3.171 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1F ZINC000289870043 456162478 /nfs/dbraw/zinc/16/24/78/456162478.db2.gz VSQIQNSAXYFBAT-OAHLLOKOSA-N 1 0 334.357 3.171 20 10 EGCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263657250 456183928 /nfs/dbraw/zinc/18/39/28/456183928.db2.gz GKTJWWWLXZLLTA-HNNXBMFYSA-N 1 0 326.440 3.454 20 10 EGCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1[O-] ZINC000263667899 456186483 /nfs/dbraw/zinc/18/64/83/456186483.db2.gz IXLHKDRBKLAFEM-UHFFFAOYSA-N 1 0 339.823 3.060 20 10 EGCDRO CCOc1cccc(C[N@H+](C)CCCN(C)Cc2ccco2)c1O ZINC000289940849 456189295 /nfs/dbraw/zinc/18/92/95/456189295.db2.gz XENZYKRWCVZUGF-UHFFFAOYSA-N 1 0 332.444 3.338 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1F ZINC000236910221 456199520 /nfs/dbraw/zinc/19/95/20/456199520.db2.gz DMZHYYRPJZGGCN-UHFFFAOYSA-N 1 0 335.467 3.068 20 10 EGCDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000289976696 456202733 /nfs/dbraw/zinc/20/27/33/456202733.db2.gz XRKXPQQHVVKLAW-AWEZNQCLSA-N 1 0 334.460 3.405 20 10 EGCDRO COC[C@@]1(C[NH2+][C@H](C)c2ccc(C)cc2O)OCCc2ccccc21 ZINC000289982639 456205497 /nfs/dbraw/zinc/20/54/97/456205497.db2.gz XYUAIPVDMNPRAQ-IIBYNOLFSA-N 1 0 341.451 3.466 20 10 EGCDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2=O)cc1 ZINC000189080134 456220944 /nfs/dbraw/zinc/22/09/44/456220944.db2.gz AKBODNNYKMATIF-LPHOPBHVSA-N 1 0 338.451 3.461 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000273414893 456229235 /nfs/dbraw/zinc/22/92/35/456229235.db2.gz QQEUBYQGHVAEEM-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1 ZINC000273595956 456241377 /nfs/dbraw/zinc/24/13/77/456241377.db2.gz QQEBMGVESKLTSV-GFCCVEGCSA-N 1 0 348.830 3.135 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000273736233 456243251 /nfs/dbraw/zinc/24/32/51/456243251.db2.gz LDXHOBDOCMUEHS-HWPZZCPQSA-N 1 0 339.794 3.405 20 10 EGCDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000237251366 456254019 /nfs/dbraw/zinc/25/40/19/456254019.db2.gz QKBRSWYGKWCRGT-KRWDZBQOSA-N 1 0 325.456 3.166 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000281526463 456257054 /nfs/dbraw/zinc/25/70/54/456257054.db2.gz HYHZIHPFFVDDFG-GFCCVEGCSA-N 1 0 333.457 3.177 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2nncn2C)c1O ZINC000275270538 456271939 /nfs/dbraw/zinc/27/19/39/456271939.db2.gz BXGVFWFGQRMBCF-UWVGGRQHSA-N 1 0 339.237 3.003 20 10 EGCDRO Cc1nccn1CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275337293 456272837 /nfs/dbraw/zinc/27/28/37/456272837.db2.gz NZZCVVPJIWWAGC-NSHDSACASA-N 1 0 338.249 3.319 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000275368089 456274276 /nfs/dbraw/zinc/27/42/76/456274276.db2.gz UZLFBXSWQPVPCX-RYUDHWBXSA-N 1 0 338.249 3.399 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1nnc2n1CCCCC2 ZINC000297928753 456326652 /nfs/dbraw/zinc/32/66/52/456326652.db2.gz XLNBIISSYKPCDT-GJZGRUSLSA-N 1 0 326.444 3.438 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCn4ccnc43)C2)cc1 ZINC000297948326 456331717 /nfs/dbraw/zinc/33/17/17/456331717.db2.gz YMPZGHZHUBNAPN-CZUORRHYSA-N 1 0 348.397 3.188 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000276205653 456413582 /nfs/dbraw/zinc/41/35/82/456413582.db2.gz OBSDFISJFSCAMR-KRWDZBQOSA-N 1 0 346.471 3.204 20 10 EGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000282134539 456421936 /nfs/dbraw/zinc/42/19/36/456421936.db2.gz KFXLTYBTLYZRRU-FPOVZHCZSA-N 1 0 346.515 3.190 20 10 EGCDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000282324602 456476667 /nfs/dbraw/zinc/47/66/67/456476667.db2.gz ALRGMKROYHUWQV-SFHVURJKSA-N 1 0 337.423 3.018 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCC(F)(F)F ZINC000282415131 456505739 /nfs/dbraw/zinc/50/57/39/456505739.db2.gz IUJKAXFTIYOLOE-GFCCVEGCSA-N 1 0 332.366 3.061 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291073753 456519326 /nfs/dbraw/zinc/51/93/26/456519326.db2.gz MFGKQXIUGLKBGW-OAHLLOKOSA-N 1 0 339.439 3.471 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000305782237 456558316 /nfs/dbraw/zinc/55/83/16/456558316.db2.gz VIWRDQRJOZZIQZ-HXUWFJFHSA-N 1 0 345.414 3.486 20 10 EGCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CCC1 ZINC000276824639 456591556 /nfs/dbraw/zinc/59/15/56/456591556.db2.gz AXJYTCDEPXERIY-AWEZNQCLSA-N 1 0 330.472 3.228 20 10 EGCDRO COCCn1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)cn1 ZINC000282949097 456673006 /nfs/dbraw/zinc/67/30/06/456673006.db2.gz ZCPUGVDGCGDOPR-AWEZNQCLSA-N 1 0 325.412 3.239 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000359955439 457170781 /nfs/dbraw/zinc/17/07/81/457170781.db2.gz IHKIWBKWHGYSAM-WQVCFCJDSA-N 1 0 325.836 3.347 20 10 EGCDRO Oc1ccccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374889620 457727940 /nfs/dbraw/zinc/72/79/40/457727940.db2.gz CNLUPUWGSDMCAZ-UHFFFAOYSA-N 1 0 336.233 3.188 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000366021369 457788789 /nfs/dbraw/zinc/78/87/89/457788789.db2.gz AIXXCMYDBXSHPH-INIZCTEOSA-N 1 0 326.440 3.407 20 10 EGCDRO C=Cn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000373198334 458426814 /nfs/dbraw/zinc/42/68/14/458426814.db2.gz PPBYJSXRODNOLI-QGZVFWFLSA-N 1 0 346.862 3.097 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000471668027 458710755 /nfs/dbraw/zinc/71/07/55/458710755.db2.gz OGUXSDNZDBXQSN-OAHLLOKOSA-N 1 0 342.487 3.018 20 10 EGCDRO O=C(/C=C\c1cncs1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000492951934 459727618 /nfs/dbraw/zinc/72/76/18/459727618.db2.gz KTRTYJZGMHOSQB-HJWRWDBZSA-N 1 0 327.453 3.285 20 10 EGCDRO COc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1Cl ZINC000662633911 461329081 /nfs/dbraw/zinc/32/90/81/461329081.db2.gz BUIWONHXSDACQR-UHFFFAOYSA-N 1 0 330.815 3.271 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000180452826 547056219 /nfs/dbraw/zinc/05/62/19/547056219.db2.gz CAGOTDONQDKQOY-FQEVSTJZSA-N 1 0 341.407 3.413 20 10 EGCDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000729257537 574833359 /nfs/dbraw/zinc/83/33/59/574833359.db2.gz JTHFXAMBFIKUCU-HXUWFJFHSA-N 1 0 339.483 3.452 20 10 EGCDRO CN(Cc1cccc([N+](=O)[O-])c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410792 575268106 /nfs/dbraw/zinc/26/81/06/575268106.db2.gz HZZMLEBIINJXLR-UHFFFAOYSA-N 1 0 329.400 3.172 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)c1 ZINC000733327154 575327873 /nfs/dbraw/zinc/32/78/73/575327873.db2.gz MESLHHWQTCIARQ-UHFFFAOYSA-N 1 0 334.423 3.359 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000733892556 575411199 /nfs/dbraw/zinc/41/11/99/575411199.db2.gz OFWZYSGPNDPCEU-QGZVFWFLSA-N 1 0 331.504 3.366 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000733921810 575415178 /nfs/dbraw/zinc/41/51/78/575415178.db2.gz GLISKZIBXWRMMP-KRWDZBQOSA-N 1 0 331.504 3.414 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000734519150 575499552 /nfs/dbraw/zinc/49/95/52/575499552.db2.gz OMORLGCLDNTIDP-UHFFFAOYSA-N 1 0 346.519 3.125 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000734520678 575507382 /nfs/dbraw/zinc/50/73/82/575507382.db2.gz JALSTONEHBKQQA-IRXDYDNUSA-N 1 0 346.519 3.123 20 10 EGCDRO Cc1cc(C(=O)NCCCC[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000742834126 576796137 /nfs/dbraw/zinc/79/61/37/576796137.db2.gz JWLACXUQCMTMQF-UHFFFAOYSA-N 1 0 331.435 3.305 20 10 EGCDRO CCc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000743395645 576808253 /nfs/dbraw/zinc/80/82/53/576808253.db2.gz XNIVDUXNFOYBPZ-UHFFFAOYSA-N 1 0 340.423 3.006 20 10 EGCDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000744795070 576834575 /nfs/dbraw/zinc/83/45/75/576834575.db2.gz GMIUZEXWYRJITJ-HNNXBMFYSA-N 1 0 339.483 3.474 20 10 EGCDRO CC[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc(Br)ccc1O ZINC000397905602 1297706931 /nfs/dbraw/zinc/70/69/31/1297706931.db2.gz XFWZCIMIQDWXLF-CYBMUJFWSA-N 1 0 327.266 3.290 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CCOCc1ccccc1 ZINC000691489999 1298133496 /nfs/dbraw/zinc/13/34/96/1298133496.db2.gz UZLSCCMCVGWLPZ-UHFFFAOYSA-N 1 0 336.229 3.461 20 10 EGCDRO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000022771601 1291224293 /nfs/dbraw/zinc/22/42/93/1291224293.db2.gz SOAPPJWUNOBRJX-UHFFFAOYSA-N 1 0 335.451 3.337 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045229520 1291509418 /nfs/dbraw/zinc/50/94/18/1291509418.db2.gz VWKYUMCPCNJTMG-OAHLLOKOSA-N 1 0 341.329 3.243 20 10 EGCDRO Cc1ccccc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000063824270 1292024949 /nfs/dbraw/zinc/02/49/49/1292024949.db2.gz DQJVNWTVHWTERZ-PTNGSMBKSA-N 1 0 332.494 3.290 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000066701758 1292127551 /nfs/dbraw/zinc/12/75/51/1292127551.db2.gz FKBHXTNBSHBYOB-KRWDZBQOSA-N 1 0 347.503 3.434 20 10 EGCDRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1O ZINC000827930416 1292405450 /nfs/dbraw/zinc/40/54/50/1292405450.db2.gz JUJKYTCADHDXMO-MRXNPFEDSA-N 1 0 338.451 3.482 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H]1CCCO1 ZINC000828808472 1292502341 /nfs/dbraw/zinc/50/23/41/1292502341.db2.gz QCOCVDAWYPLZNI-PMACEKPBSA-N 1 0 332.488 3.349 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000084963948 1292717775 /nfs/dbraw/zinc/71/77/75/1292717775.db2.gz JKOMNVCAMUJNFB-UHFFFAOYSA-N 1 0 330.403 3.165 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OC1CCC1 ZINC000830628253 1292742427 /nfs/dbraw/zinc/74/24/27/1292742427.db2.gz UPUKUBCHXJHDLE-CQSZACIVSA-N 1 0 338.835 3.289 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CCC(=O)OC)C2CCOCC2)cc1 ZINC000093734843 1292930561 /nfs/dbraw/zinc/93/05/61/1292930561.db2.gz PNLGVHBLUPURKD-UHFFFAOYSA-N 1 0 348.487 3.077 20 10 EGCDRO CC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000832284220 1292982053 /nfs/dbraw/zinc/98/20/53/1292982053.db2.gz IIIDXAOZPFAHMJ-OALUTQOASA-N 1 0 343.446 3.202 20 10 EGCDRO Cc1cccc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1Cl ZINC000832284676 1292982062 /nfs/dbraw/zinc/98/20/62/1292982062.db2.gz LXWMDHBOFDPUCY-QGZVFWFLSA-N 1 0 345.874 3.073 20 10 EGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)C1 ZINC000834522992 1293110311 /nfs/dbraw/zinc/11/03/11/1293110311.db2.gz MXMJSTUUAFNOIP-AZUAARDMSA-N 1 0 341.499 3.057 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000111996289 1293115209 /nfs/dbraw/zinc/11/52/09/1293115209.db2.gz XWQGAZLEUFHFSD-UHFFFAOYSA-N 1 0 340.467 3.478 20 10 EGCDRO Cc1cc(C(=O)N2CCC(C)([NH3+])CC2)c(C)n1-c1ccccc1C ZINC000834594325 1293120244 /nfs/dbraw/zinc/12/02/44/1293120244.db2.gz QLAHZOQDYCVGPS-UHFFFAOYSA-N 1 0 325.456 3.356 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c(O)c1C ZINC000834836251 1293155563 /nfs/dbraw/zinc/15/55/63/1293155563.db2.gz LOWFNMVCKNUFLA-QQFBHYJXSA-N 1 0 339.501 3.263 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114148172 1293162332 /nfs/dbraw/zinc/16/23/32/1293162332.db2.gz BMMQWXMYVOPKOP-SFHVURJKSA-N 1 0 339.483 3.426 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(Br)ccc1O ZINC000834895683 1293167457 /nfs/dbraw/zinc/16/74/57/1293167457.db2.gz CQMPYQYVKWVKOP-WDEREUQCSA-N 1 0 338.249 3.170 20 10 EGCDRO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(N2CCOCC2)cc1 ZINC000834903703 1293171100 /nfs/dbraw/zinc/17/11/00/1293171100.db2.gz KKSUYBGKEJWYPI-CQSZACIVSA-N 1 0 327.428 3.239 20 10 EGCDRO COc1ccc(OCC[N@H+](C)Cc2c(O)ccc3ccncc32)cc1 ZINC000835024592 1293190464 /nfs/dbraw/zinc/19/04/64/1293190464.db2.gz INLFDIIHAZEQRC-UHFFFAOYSA-N 1 0 338.407 3.460 20 10 EGCDRO 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EGCDRO COc1ccc(N2CCC[N@H+](CCCC(=O)OC(C)(C)C)CC2)cc1 ZINC000181565747 1294977695 /nfs/dbraw/zinc/97/76/95/1294977695.db2.gz YKJTZPNUAXOCTB-UHFFFAOYSA-N 1 0 348.487 3.329 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000182314244 1295033503 /nfs/dbraw/zinc/03/35/03/1295033503.db2.gz MLPKNQRAFDKUQB-NSHDSACASA-N 1 0 332.356 3.168 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(CC(C)C)CC(C)C)c1 ZINC000182360082 1295038904 /nfs/dbraw/zinc/03/89/04/1295038904.db2.gz KHBBZDWTDNGYOF-HNNXBMFYSA-N 1 0 336.476 3.192 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)c1 ZINC000182362038 1295039616 /nfs/dbraw/zinc/03/96/16/1295039616.db2.gz XWFQKDIYJQQLFQ-LLVKDONJSA-N 1 0 345.424 3.013 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](C)CCCC(C)C)c1 ZINC000182382426 1295042671 /nfs/dbraw/zinc/04/26/71/1295042671.db2.gz MUTUAAPRZKZRAN-CABCVRRESA-N 1 0 336.476 3.382 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(SC)cc2)c1 ZINC000182438076 1295046720 /nfs/dbraw/zinc/04/67/20/1295046720.db2.gz WIHMDHNUGFGRTJ-LBPRGKRZSA-N 1 0 346.452 3.412 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1O ZINC000183396160 1295115524 /nfs/dbraw/zinc/11/55/24/1295115524.db2.gz JCMPMTWMNXOWEH-APWZRJJASA-N 1 0 326.440 3.116 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1O ZINC000183803656 1295144269 /nfs/dbraw/zinc/14/42/69/1295144269.db2.gz DEBXHZJZNHTKDD-OAHLLOKOSA-N 1 0 335.444 3.263 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c(O)c1 ZINC000184858569 1295225020 /nfs/dbraw/zinc/22/50/20/1295225020.db2.gz SXDNPIUDPCXQSZ-KRWDZBQOSA-N 1 0 332.488 3.386 20 10 EGCDRO COc1cccc(C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)c1O ZINC000184972467 1295232199 /nfs/dbraw/zinc/23/21/99/1295232199.db2.gz FAIRJLJHXSDUGZ-AWEZNQCLSA-N 1 0 332.469 3.341 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cc(F)ccc1O ZINC000185188651 1295246440 /nfs/dbraw/zinc/24/64/40/1295246440.db2.gz ULABYNAALTULNC-AWEZNQCLSA-N 1 0 330.403 3.219 20 10 EGCDRO C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000185342196 1295256248 /nfs/dbraw/zinc/25/62/48/1295256248.db2.gz ABFDKYVWBOLJQV-LBPRGKRZSA-N 1 0 326.412 3.439 20 10 EGCDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000185639026 1295275899 /nfs/dbraw/zinc/27/58/99/1295275899.db2.gz UIXDOTLAEJHHHE-UHFFFAOYSA-N 1 0 339.395 3.033 20 10 EGCDRO Cn1cc(CC[NH2+]Cc2cc3c(cc2O)OCO3)c2ccc(F)cc21 ZINC000185747477 1295283950 /nfs/dbraw/zinc/28/39/50/1295283950.db2.gz MTZQHRQYBHMWDX-UHFFFAOYSA-N 1 0 342.370 3.084 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000186049667 1295301506 /nfs/dbraw/zinc/30/15/06/1295301506.db2.gz BLYHLLBUBCJWQR-CQSZACIVSA-N 1 0 329.396 3.103 20 10 EGCDRO CC[C@@H]([NH2+]CC1(CO)CCC1)c1cc(Br)ccc1O ZINC000186397315 1295323966 /nfs/dbraw/zinc/32/39/66/1295323966.db2.gz ULUIVRXUKLWEAI-CYBMUJFWSA-N 1 0 328.250 3.358 20 10 EGCDRO Cc1cc(C(=O)CN2CC[C@@H](O)[C@H](C)C2)c(C)n1-c1cccc(F)c1 ZINC000186879997 1295353798 /nfs/dbraw/zinc/35/37/98/1295353798.db2.gz YTALUSMAWMEVQP-BFUOFWGJSA-N 1 0 344.430 3.119 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1Oc1ccccc1 ZINC000187636074 1295405642 /nfs/dbraw/zinc/40/56/42/1295405642.db2.gz RDKQORNINOJWMK-QRQLOZEOSA-N 1 0 331.387 3.246 20 10 EGCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC000193333821 1295851541 /nfs/dbraw/zinc/85/15/41/1295851541.db2.gz IZTFIEJLEPAXOV-CALCHBBNSA-N 1 0 345.487 3.051 20 10 EGCDRO CCO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000194463627 1295980206 /nfs/dbraw/zinc/98/02/06/1295980206.db2.gz ZTVAQBRLSBCFPT-OAQYLSRUSA-N 1 0 340.467 3.391 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000195617953 1296078239 /nfs/dbraw/zinc/07/82/39/1296078239.db2.gz OYJVIGMPYBHWIH-LJQANCHMSA-N 1 0 342.414 3.223 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3cccc(C)c3)CC2)c1O ZINC000216348539 1296119183 /nfs/dbraw/zinc/11/91/83/1296119183.db2.gz URROKSXQDIGKKL-UHFFFAOYSA-N 1 0 340.467 3.335 20 10 EGCDRO CCN(CC[NH2+]Cc1c(O)cccc1Cl)C(=O)OC(C)(C)C ZINC000226647335 1296140400 /nfs/dbraw/zinc/14/04/00/1296140400.db2.gz XVXYXJYCNJCUIE-UHFFFAOYSA-N 1 0 328.840 3.392 20 10 EGCDRO COc1cccc(CC[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000227437908 1296143228 /nfs/dbraw/zinc/14/32/28/1296143228.db2.gz CZIIQLKDTCDPKO-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO C[C@@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1O ZINC000870988601 1296166062 /nfs/dbraw/zinc/16/60/62/1296166062.db2.gz URVNHYIBYMFNSW-CQSZACIVSA-N 1 0 337.423 3.187 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000236910773 1296212180 /nfs/dbraw/zinc/21/21/80/1296212180.db2.gz DENAXAAMGGURGF-NVXWUHKLSA-N 1 0 349.494 3.314 20 10 EGCDRO CN(c1ccc(CNC(=O)C2([NH3+])CCCC2)cc1)C1CCCCC1 ZINC000237054406 1296217524 /nfs/dbraw/zinc/21/75/24/1296217524.db2.gz LIRSSYXPPYRSHE-UHFFFAOYSA-N 1 0 329.488 3.343 20 10 EGCDRO CN1CCCc2cc(CNC(=O)CC[C@H]([NH3+])c3ccccc3)ccc21 ZINC000237128324 1296221386 /nfs/dbraw/zinc/22/13/86/1296221386.db2.gz IBYUXGHCEJPXSG-IBGZPJMESA-N 1 0 337.467 3.165 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000237270701 1296232879 /nfs/dbraw/zinc/23/28/79/1296232879.db2.gz CMRCMVVLQQKCRP-IBGZPJMESA-N 1 0 343.515 3.153 20 10 EGCDRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1C ZINC000237362531 1296236683 /nfs/dbraw/zinc/23/66/83/1296236683.db2.gz SZOXPHYCZHCBJL-UHFFFAOYSA-N 1 0 332.488 3.128 20 10 EGCDRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000302711849 1296802890 /nfs/dbraw/zinc/80/28/90/1296802890.db2.gz UMAJMNLIXOASRX-UHFFFAOYSA-N 1 0 325.456 3.227 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c1O ZINC000305802028 1297053788 /nfs/dbraw/zinc/05/37/88/1297053788.db2.gz XXGDPNRDQPZONK-VDISTLRHSA-N 1 0 328.250 3.104 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cc(F)ccc1O ZINC000311844321 1297112834 /nfs/dbraw/zinc/11/28/34/1297112834.db2.gz OCOZIZOIZHHCQF-YJBOKZPZSA-N 1 0 344.430 3.083 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000327160761 1297245010 /nfs/dbraw/zinc/24/50/10/1297245010.db2.gz HRWPFBNGNSYPMD-OXQOHEQNSA-N 1 0 339.483 3.437 20 10 EGCDRO CCc1noc(C)c1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873128664 1297285442 /nfs/dbraw/zinc/28/54/42/1297285442.db2.gz YRQABMLYHOQAKL-UHFFFAOYSA-N 1 0 340.427 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1Cn1cccn1 ZINC000873138505 1297293965 /nfs/dbraw/zinc/29/39/65/1297293965.db2.gz TVHAYAYZGRUTMG-HXUWFJFHSA-N 1 0 349.434 3.423 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000383740037 1297574921 /nfs/dbraw/zinc/57/49/21/1297574921.db2.gz CEYZBSATAYCKLY-GJZGRUSLSA-N 1 0 332.444 3.272 20 10 EGCDRO CC[C@@H]([NH2+]CCc1cncn1C)c1cc(Br)ccc1O ZINC000401780550 1297742316 /nfs/dbraw/zinc/74/23/16/1297742316.db2.gz PTTNKZRXTHPFBI-CQSZACIVSA-N 1 0 338.249 3.172 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686216101 1298114849 /nfs/dbraw/zinc/11/48/49/1298114849.db2.gz ZPXUWVLICMNGRS-CQSZACIVSA-N 1 0 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C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756358939 1300476052 /nfs/dbraw/zinc/47/60/52/1300476052.db2.gz BKUUINVOZCWABO-LLVKDONJSA-N 1 0 345.256 3.430 20 10 EGCDRO CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)N1CCOCC1 ZINC000756369386 1300477741 /nfs/dbraw/zinc/47/77/41/1300477741.db2.gz SFIKNCKLVUTHSN-KBMXLJTQSA-N 1 0 336.451 3.026 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)c2c1c(F)ccc2O ZINC000756393973 1300482775 /nfs/dbraw/zinc/48/27/75/1300482775.db2.gz UVZKMLBNWCXJCH-WFASDCNBSA-N 1 0 338.386 3.450 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)c2c1c(F)ccc2O ZINC000756393727 1300482870 /nfs/dbraw/zinc/48/28/70/1300482870.db2.gz UGRRJOVDSTYEOC-IINYFYTJSA-N 1 0 329.375 3.360 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2nncn2-c2ccccc2)c2c1c(F)ccc2O ZINC000756400702 1300484943 /nfs/dbraw/zinc/48/49/43/1300484943.db2.gz DMCXATQOSKZCJW-WFASDCNBSA-N 1 0 338.386 3.450 20 10 EGCDRO C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] 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IPHSQLAFEHEGIM-VBKZILBWSA-N 1 0 327.424 3.276 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2c1c(F)ccc2O ZINC000756645353 1300540128 /nfs/dbraw/zinc/54/01/28/1300540128.db2.gz IWWFUEMVNWGIHP-LALPHHSUSA-N 1 0 345.393 3.482 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c(O)c1C ZINC000756657284 1300542367 /nfs/dbraw/zinc/54/23/67/1300542367.db2.gz CVJOYHZILKETBC-UHOSZYNNSA-N 1 0 332.488 3.303 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccn3)C2)c2c1c(F)ccc2O ZINC000756769557 1300563003 /nfs/dbraw/zinc/56/30/03/1300563003.db2.gz FYPCUVOHPTZWLT-VNHYZAJKSA-N 1 0 327.403 3.343 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c2c1c(F)ccc2O ZINC000756770738 1300563682 /nfs/dbraw/zinc/56/36/82/1300563682.db2.gz MHMTYSCUBOUNNX-CAGXHZNZSA-N 1 0 345.414 3.154 20 10 EGCDRO COC(=O)/C=C\c1ccc(OCC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879649631 1300649131 /nfs/dbraw/zinc/64/91/31/1300649131.db2.gz ZZNIYGWXKYHDGG-HMVFGEFZSA-N 1 0 341.407 3.308 20 10 EGCDRO 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COc1cc(C)cc(C[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1O ZINC000894196131 1306270416 /nfs/dbraw/zinc/27/04/16/1306270416.db2.gz SGCNZTWGXVZDJF-KRWDZBQOSA-N 1 0 332.419 3.241 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c1O ZINC000894341178 1306350255 /nfs/dbraw/zinc/35/02/55/1306350255.db2.gz WYASKUSLDZAJDE-NVXWUHKLSA-N 1 0 329.440 3.354 20 10 EGCDRO CC(C)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[NH+]1CCCC1 ZINC000791009877 1308908904 /nfs/dbraw/zinc/90/89/04/1308908904.db2.gz ADPVQLOJVUSKNV-UHFFFAOYSA-N 1 0 341.839 3.165 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1O ZINC000894478078 1308913168 /nfs/dbraw/zinc/91/31/68/1308913168.db2.gz ASJDNBOMLNGHHG-KXBFYZLASA-N 1 0 328.456 3.490 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c(O)c1OC ZINC000894497819 1308922782 /nfs/dbraw/zinc/92/27/82/1308922782.db2.gz AUNVPQYJYFDAAY-CQSZACIVSA-N 1 0 331.416 3.086 20 10 EGCDRO COc1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c(O)c1OC ZINC000894744826 1309047254 /nfs/dbraw/zinc/04/72/54/1309047254.db2.gz ZXSCFICWZUQLBJ-UHFFFAOYSA-N 1 0 331.387 3.413 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000894907583 1309123362 /nfs/dbraw/zinc/12/33/62/1309123362.db2.gz VBSHUDGDKHRQSW-IRXDYDNUSA-N 1 0 328.412 3.114 20 10 EGCDRO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792170713 1309136548 /nfs/dbraw/zinc/13/65/48/1309136548.db2.gz WFRYOGQJXLQGRM-CYBMUJFWSA-N 1 0 344.858 3.117 20 10 EGCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@H](C)C1 ZINC000792192040 1309140316 /nfs/dbraw/zinc/14/03/16/1309140316.db2.gz AIBGCDNAMRECHQ-PXNSSMCTSA-N 1 0 332.488 3.160 20 10 EGCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792830322 1309239675 /nfs/dbraw/zinc/23/96/75/1309239675.db2.gz COTTXRFJLLCCHV-MRXNPFEDSA-N 1 0 344.377 3.156 20 10 EGCDRO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000792979057 1309274817 /nfs/dbraw/zinc/27/48/17/1309274817.db2.gz FNSVZMSHEUJCAC-XOKHGSTOSA-N 1 0 338.879 3.025 20 10 EGCDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075421 1309291445 /nfs/dbraw/zinc/29/14/45/1309291445.db2.gz CTICHNJOHBRYGB-RYUDHWBXSA-N 1 0 346.393 3.449 20 10 EGCDRO Oc1ccc(F)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000793239032 1309327180 /nfs/dbraw/zinc/32/71/80/1309327180.db2.gz BMKVWFVWZPDZSU-HDICACEKSA-N 1 0 326.415 3.095 20 10 EGCDRO COc1ccc(C[NH2+]Cc2csc(-c3ccccn3)n2)c(O)c1 ZINC000793388109 1309361524 /nfs/dbraw/zinc/36/15/24/1309361524.db2.gz MEMQOGFHMLRRGT-UHFFFAOYSA-N 1 0 327.409 3.209 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1 ZINC000793601187 1309414435 /nfs/dbraw/zinc/41/44/35/1309414435.db2.gz MUVGRICAQBFGHC-CYBMUJFWSA-N 1 0 338.448 3.184 20 10 EGCDRO CSc1ccccc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000794653577 1309564809 /nfs/dbraw/zinc/56/48/09/1309564809.db2.gz BLHXODRWKHKFPZ-MRXNPFEDSA-N 1 0 331.437 3.172 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(C)cc1O ZINC000794811306 1309599962 /nfs/dbraw/zinc/59/99/62/1309599962.db2.gz WTRRIIFALZVDNS-HKUYNNGSSA-N 1 0 332.488 3.385 20 10 EGCDRO Cc1cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000795705545 1309813764 /nfs/dbraw/zinc/81/37/64/1309813764.db2.gz YQVYLVZVLJLMIR-FUHWJXTLSA-N 1 0 346.515 3.293 20 10 EGCDRO C[S@](=O)CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308691 1309963011 /nfs/dbraw/zinc/96/30/11/1309963011.db2.gz HILABSPLZGELAC-DEOSSOPVSA-N 1 0 342.508 3.108 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1F ZINC000796527418 1310020516 /nfs/dbraw/zinc/02/05/16/1310020516.db2.gz YIJRADSUNMPQKT-HSZRJFAPSA-N 1 0 334.460 3.060 20 10 EGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000796772111 1310084140 /nfs/dbraw/zinc/08/41/40/1310084140.db2.gz PRXGNMUYVNAHAQ-NSHDSACASA-N 1 0 349.481 3.307 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C)cc1O ZINC000797041261 1310131627 /nfs/dbraw/zinc/13/16/27/1310131627.db2.gz YLGAWFKNMDWABS-WMZOPIPTSA-N 1 0 345.487 3.422 20 10 EGCDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000797090891 1310138528 /nfs/dbraw/zinc/13/85/28/1310138528.db2.gz SJOOUQGQHMQXPZ-NSHDSACASA-N 1 0 326.824 3.175 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000897320411 1310289225 /nfs/dbraw/zinc/28/92/25/1310289225.db2.gz WIDSQXJKSQFCCE-UHFFFAOYSA-N 1 0 334.423 3.402 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccc(Cl)c2N)N(C)C)cc1 ZINC000898448113 1310739625 /nfs/dbraw/zinc/73/96/25/1310739625.db2.gz PJRVXONINSLCCM-GOSISDBHSA-N 1 0 346.906 3.381 20 10 EGCDRO CN(C)c1ccc([C@H](CNCc2nc(Cl)cs2)[NH+](C)C)cc1 ZINC000898449293 1310740184 /nfs/dbraw/zinc/74/01/84/1310740184.db2.gz AODBDWUOVHXISV-AWEZNQCLSA-N 1 0 338.908 3.255 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)N(C)C)cc1 ZINC000898450357 1310741960 /nfs/dbraw/zinc/74/19/60/1310741960.db2.gz QLCWTTILRZXPJU-MJGOQNOKSA-N 1 0 331.504 3.047 20 10 EGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)c(C)cc2O)cc1 ZINC000824535282 1320263397 /nfs/dbraw/zinc/26/33/97/1320263397.db2.gz OJYNCDLULQUQFM-UHFFFAOYSA-N 1 0 332.831 3.346 20 10 EGCDRO CCn1ccnc1[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000825005292 1320303619 /nfs/dbraw/zinc/30/36/19/1320303619.db2.gz GJEDAGNMBSJVGZ-HNNXBMFYSA-N 1 0 328.460 3.231 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)COc2cccc(F)c2)cc1Cl ZINC000825132144 1320313335 /nfs/dbraw/zinc/31/33/35/1320313335.db2.gz XEYXFGMTWFASHL-AWEZNQCLSA-N 1 0 339.794 3.023 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1O ZINC000825090798 1320309215 /nfs/dbraw/zinc/30/92/15/1320309215.db2.gz IJUIQEBEXCHGNT-GDBMZVCRSA-N 1 0 348.830 3.459 20 10 EGCDRO C[C@@]1(C[NH2+]Cc2ccc(Br)cc2O)CCCC[C@@H]1O ZINC000825330683 1320328997 /nfs/dbraw/zinc/32/89/97/1320328997.db2.gz CMNXEUZKVYSXMH-GJZGRUSLSA-N 1 0 328.250 3.186 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000837306406 1320595343 /nfs/dbraw/zinc/59/53/43/1320595343.db2.gz JITQNXZFADOEAP-QZTJIDSGSA-N 1 0 337.467 3.084 20 10 EGCDRO CCOc1cccc(CN(CC[NH+](C)C)Cc2ccsc2)c1O ZINC000839186452 1320889512 /nfs/dbraw/zinc/88/95/12/1320889512.db2.gz LQZJIWJAQFQRBK-UHFFFAOYSA-N 1 0 334.485 3.416 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)c1 ZINC000839539076 1320935041 /nfs/dbraw/zinc/93/50/41/1320935041.db2.gz ITYGHSLNQCVDFG-CYBMUJFWSA-N 1 0 339.395 3.344 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2)c1 ZINC000839540056 1320935093 /nfs/dbraw/zinc/93/50/93/1320935093.db2.gz QQIGDVZMPWAZKG-LBPRGKRZSA-N 1 0 332.375 3.219 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000839564456 1320938277 /nfs/dbraw/zinc/93/82/77/1320938277.db2.gz UQYUIUNPHIQLFG-LIRRHRJNSA-N 1 0 341.430 3.348 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)ccc1N(C)C ZINC000839665426 1320954918 /nfs/dbraw/zinc/95/49/18/1320954918.db2.gz HWAYGCGBVSLTMN-GOSISDBHSA-N 1 0 329.488 3.038 20 10 EGCDRO Clc1ccc2c(n1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000857900641 1328619368 /nfs/dbraw/zinc/61/93/68/1328619368.db2.gz GGINFEHZZVRRJE-QGZVFWFLSA-N 1 0 343.858 3.349 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000802096382 1316978946 /nfs/dbraw/zinc/97/89/46/1316978946.db2.gz NZOGPWGGKZZFJA-MRXNPFEDSA-N 1 0 335.492 3.434 20 10 EGCDRO COc1cc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)ccc1F ZINC000802659482 1317023055 /nfs/dbraw/zinc/02/30/55/1317023055.db2.gz HMGLWDXCGIIYRV-UHFFFAOYSA-N 1 0 330.403 3.171 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000805767590 1317421089 /nfs/dbraw/zinc/42/10/89/1317421089.db2.gz LVWHBLUJGGEGBO-PXAZEXFGSA-N 1 0 336.863 3.307 20 10 EGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858155779 1328698390 /nfs/dbraw/zinc/69/83/90/1328698390.db2.gz IKUHVHKVOVSHID-IAQYHMDHSA-N 1 0 328.250 3.448 20 10 EGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000903129477 1317659551 /nfs/dbraw/zinc/65/95/51/1317659551.db2.gz XKKPLWIUZGSQBE-UMNHJUIQSA-N 1 0 342.233 3.147 20 10 EGCDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000903447638 1317701364 /nfs/dbraw/zinc/70/13/64/1317701364.db2.gz AICBCLJQIYGQAA-DYVFJYSZSA-N 1 0 332.517 3.471 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCOCC1 ZINC000903448734 1317702516 /nfs/dbraw/zinc/70/25/16/1317702516.db2.gz RPSKHJIXKZIWBA-VQTJNVASSA-N 1 0 333.520 3.150 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)cc1 ZINC000808723476 1317722845 /nfs/dbraw/zinc/72/28/45/1317722845.db2.gz OUAXKYNMBYPWGT-CEDBRAGKSA-N 1 0 343.515 3.440 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)c1ccc(C)cc1O ZINC000808722197 1317723573 /nfs/dbraw/zinc/72/35/73/1317723573.db2.gz AIFIGAWDZYEPBK-XGXHKWSGSA-N 1 0 330.472 3.388 20 10 EGCDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000809723487 1317878443 /nfs/dbraw/zinc/87/84/43/1317878443.db2.gz IOMHVGZLSXXCNK-SFHVURJKSA-N 1 0 329.440 3.325 20 10 EGCDRO CN(CC[NH+]1CCCC1)Cc1ccc(OCc2ccccc2)cc1O ZINC000809738450 1317884440 /nfs/dbraw/zinc/88/44/40/1317884440.db2.gz YEBFYHIZJDBMLM-UHFFFAOYSA-N 1 0 340.467 3.499 20 10 EGCDRO CN(C)c1ccc(CN(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000809738265 1317884892 /nfs/dbraw/zinc/88/48/92/1317884892.db2.gz VJSAAAIMLLPSEY-UHFFFAOYSA-N 1 0 329.463 3.456 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)cc1 ZINC000809777738 1317897387 /nfs/dbraw/zinc/89/73/87/1317897387.db2.gz FRUCYUMZCHRZGE-GOSISDBHSA-N 1 0 331.504 3.271 20 10 EGCDRO Cc1cc(C[NH2+]C2CCS(=O)(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000858293713 1328730881 /nfs/dbraw/zinc/73/08/81/1328730881.db2.gz OHDDATWPBVUDJB-UHFFFAOYSA-N 1 0 346.496 3.069 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810208245 1317976200 /nfs/dbraw/zinc/97/62/00/1317976200.db2.gz UNTNXTASAGWVQJ-CYBMUJFWSA-N 1 0 332.366 3.224 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1nncn1C)c1ccc(C(F)(F)F)cc1O ZINC000810215959 1317977172 /nfs/dbraw/zinc/97/71/72/1317977172.db2.gz PMTPHWXPZVFLCM-SKDRFNHKSA-N 1 0 328.338 3.341 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810213034 1317977937 /nfs/dbraw/zinc/97/79/37/1317977937.db2.gz KKQPCDDSSYJJJV-MWLCHTKSSA-N 1 0 331.256 3.375 20 10 EGCDRO CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810218317 1317978822 /nfs/dbraw/zinc/97/88/22/1317978822.db2.gz IDNOQEVHPNBFBW-ZDUSSCGKSA-N 1 0 344.377 3.497 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccc(C(F)(F)F)cc1O ZINC000810225650 1317980219 /nfs/dbraw/zinc/98/02/19/1317980219.db2.gz JPHCORVMOPPSBG-ZIAGYGMSSA-N 1 0 344.377 3.461 20 10 EGCDRO CC[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810235085 1317983260 /nfs/dbraw/zinc/98/32/60/1317983260.db2.gz LTOFPBZUZJWREY-HUUCEWRRSA-N 1 0 347.377 3.239 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)cc1C ZINC000811511377 1318190015 /nfs/dbraw/zinc/19/00/15/1318190015.db2.gz HNXRYDAZKHABHH-QGZVFWFLSA-N 1 0 332.444 3.252 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2ccc3cnn(C)c3c2)ccc1OC ZINC000812771877 1318451272 /nfs/dbraw/zinc/45/12/72/1318451272.db2.gz MDEQCGZNRODBKT-UHFFFAOYSA-N 1 0 339.439 3.408 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@@H](C)[C@H](OC)C3(C)C)CC2)cc1 ZINC000812842159 1318469189 /nfs/dbraw/zinc/46/91/89/1318469189.db2.gz FJGZIBGYGFNLNG-ZMYBRWDISA-N 1 0 332.488 3.313 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccccc3C)C2)cc1C ZINC001021789843 1318685481 /nfs/dbraw/zinc/68/54/81/1318685481.db2.gz UHWLMAYDZUNPEI-HDICACEKSA-N 1 0 338.451 3.363 20 10 EGCDRO Cc1cc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)ccc1N(C)C ZINC000815053653 1318875020 /nfs/dbraw/zinc/87/50/20/1318875020.db2.gz VOYMTZOFSBDZJU-SFHVURJKSA-N 1 0 338.499 3.335 20 10 EGCDRO Cc1cc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)ccc1N(C)C ZINC000815090325 1318888440 /nfs/dbraw/zinc/88/84/40/1318888440.db2.gz UTWBQSWXSGXFKI-QGZVFWFLSA-N 1 0 347.503 3.454 20 10 EGCDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000815146334 1318910868 /nfs/dbraw/zinc/91/08/68/1318910868.db2.gz FDUMBDQVJDXTGO-OAHLLOKOSA-N 1 0 328.250 3.186 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000815643093 1319035625 /nfs/dbraw/zinc/03/56/25/1319035625.db2.gz TXJGBCZMFRUBPZ-ZIAGYGMSSA-N 1 0 345.418 3.175 20 10 EGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000815651341 1319038095 /nfs/dbraw/zinc/03/80/95/1319038095.db2.gz QGZRSVBGHXNVSL-UGSOOPFHSA-N 1 0 338.879 3.252 20 10 EGCDRO Oc1c(C[NH2+]CCOc2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000816536832 1319177230 /nfs/dbraw/zinc/17/72/30/1319177230.db2.gz LFFUJBATBJTFIJ-UHFFFAOYSA-N 1 0 337.375 3.443 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)C[C@@]2(CCOC2)O1 ZINC000816596780 1319189323 /nfs/dbraw/zinc/18/93/23/1319189323.db2.gz QBMZIPMNVPSHAS-HXUWFJFHSA-N 1 0 327.424 3.315 20 10 EGCDRO Oc1c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)ccc2ccccc21 ZINC000816600433 1319191715 /nfs/dbraw/zinc/19/17/15/1319191715.db2.gz XAIYDQPYTHOTFI-KRWDZBQOSA-N 1 0 340.467 3.090 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CCOCc2ccccc2)c1 ZINC000930217300 1328813660 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20 10 EGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000817940040 1319468604 /nfs/dbraw/zinc/46/86/04/1319468604.db2.gz DYLZPUIWQJIDOP-KUHUBIRLSA-N 1 0 344.478 3.308 20 10 EGCDRO COC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000817940721 1319468730 /nfs/dbraw/zinc/46/87/30/1319468730.db2.gz HLSPRKTXNDCLDP-RTBURBONSA-N 1 0 347.890 3.383 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(O)c1 ZINC000817939879 1319469108 /nfs/dbraw/zinc/46/91/08/1319469108.db2.gz CYFOQOVNFBGADI-CRAIPNDOSA-N 1 0 327.472 3.426 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000817939535 1319469261 /nfs/dbraw/zinc/46/92/61/1319469261.db2.gz CKNQBUAOZXMVCM-DNVCBOLYSA-N 1 0 326.488 3.169 20 10 EGCDRO CC[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc(Cl)c1O ZINC000817951056 1319474618 /nfs/dbraw/zinc/47/46/18/1319474618.db2.gz AVDXQTUVODSRSE-INIZCTEOSA-N 1 0 346.862 3.413 20 10 EGCDRO CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Cl)ccc1O ZINC000817953656 1319475261 /nfs/dbraw/zinc/47/52/61/1319475261.db2.gz RONQCNGFJNVKSL-MRXNPFEDSA-N 1 0 346.862 3.413 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817960625 1319478476 /nfs/dbraw/zinc/47/84/76/1319478476.db2.gz OLFLWQBBERXISA-RBZYPMLTSA-N 1 0 345.256 3.462 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000817972202 1319482285 /nfs/dbraw/zinc/48/22/85/1319482285.db2.gz VDHABPBGGRXHBW-UTLUCORTSA-N 1 0 331.229 3.085 20 10 EGCDRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000817981259 1319485235 /nfs/dbraw/zinc/48/52/35/1319485235.db2.gz QSFCFKPJCZWBHP-FXAWDEMLSA-N 1 0 331.504 3.096 20 10 EGCDRO CC[N@@H+]1CC[C@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000916835383 1319712866 /nfs/dbraw/zinc/71/28/66/1319712866.db2.gz YEHJICILEKWZDW-QGZVFWFLSA-N 1 0 346.475 3.017 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CCC(=O)Nc1cccnc1 ZINC000819376907 1319713604 /nfs/dbraw/zinc/71/36/04/1319713604.db2.gz KFIYCAGLHXHTEM-MRXNPFEDSA-N 1 0 340.471 3.005 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000819377968 1319713914 /nfs/dbraw/zinc/71/39/14/1319713914.db2.gz XVNAYOQPTAOESM-FOIQADDNSA-N 1 0 330.447 3.454 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C2CC2)cc1 ZINC000917013886 1319739341 /nfs/dbraw/zinc/73/93/41/1319739341.db2.gz HWLZIGHDIFLZBZ-HXUWFJFHSA-N 1 0 340.467 3.157 20 10 EGCDRO CC1CCC(NC(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000917073781 1319749568 /nfs/dbraw/zinc/74/95/68/1319749568.db2.gz AEJJHLZZIIUIDJ-UHFFFAOYSA-N 1 0 343.515 3.412 20 10 EGCDRO CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770194 1319920323 /nfs/dbraw/zinc/92/03/23/1319920323.db2.gz SRVBXXYTBHLJRH-AWEZNQCLSA-N 1 0 345.447 3.091 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CC3CC3)C2)cc1C ZINC001023801794 1319945398 /nfs/dbraw/zinc/94/53/98/1319945398.db2.gz WNJDMLGRDQQNFR-SFHVURJKSA-N 1 0 330.472 3.132 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccnc(Cl)c3F)C2)cc1 ZINC000822494234 1320088935 /nfs/dbraw/zinc/08/89/35/1320088935.db2.gz KHOLAYUECOSNBX-CYBMUJFWSA-N 1 0 349.837 3.499 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000822508046 1320090500 /nfs/dbraw/zinc/09/05/00/1320090500.db2.gz NGZNZIFBQAFPAX-HOCLYGCPSA-N 1 0 332.444 3.142 20 10 EGCDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000823050028 1320149213 /nfs/dbraw/zinc/14/92/13/1320149213.db2.gz XATKHQGETVZEBR-GOSISDBHSA-N 1 0 346.519 3.157 20 10 EGCDRO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824715507 1320279431 /nfs/dbraw/zinc/27/94/31/1320279431.db2.gz KQRVQUQTGHSPGD-NWANDNLSSA-N 1 0 340.261 3.280 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1O ZINC000824750212 1320282378 /nfs/dbraw/zinc/28/23/78/1320282378.db2.gz DSSJYFGZNIMSLY-LBPRGKRZSA-N 1 0 325.836 3.493 20 10 EGCDRO Fc1cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)ccc1N1CCOCC1 ZINC000824750433 1320282595 /nfs/dbraw/zinc/28/25/95/1320282595.db2.gz JHEQSZMHCLCRPW-KRWDZBQOSA-N 1 0 348.462 3.101 20 10 EGCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC000824856439 1320291288 /nfs/dbraw/zinc/29/12/88/1320291288.db2.gz XHZDYEPJEPVXDG-IRXDYDNUSA-N 1 0 339.863 3.106 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000824895146 1320293937 /nfs/dbraw/zinc/29/39/37/1320293937.db2.gz RLYJBIASPZWTCN-AAEUAGOBSA-N 1 0 326.234 3.013 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc1 ZINC000825118103 1320312869 /nfs/dbraw/zinc/31/28/69/1320312869.db2.gz OPLNYHBAOOGLIK-QRVBRYPASA-N 1 0 342.487 3.236 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(OCCOC(C)C)CC2)c1O ZINC000825207111 1320318184 /nfs/dbraw/zinc/31/81/84/1320318184.db2.gz DQFYZOKUZIJAQJ-UHFFFAOYSA-N 1 0 337.460 3.197 20 10 EGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1F ZINC000825267529 1320322694 /nfs/dbraw/zinc/32/26/94/1320322694.db2.gz VHPYAKBCIIZCGW-UHFFFAOYSA-N 1 0 330.403 3.277 20 10 EGCDRO CCOc1cccc(C[N@H+](CCO)Cc2cccc(OCC)c2O)c1 ZINC000825299476 1320326138 /nfs/dbraw/zinc/32/61/38/1320326138.db2.gz LDQMBQSQPPMWHI-UHFFFAOYSA-N 1 0 345.439 3.184 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@H]2CCO[C@@H]21 ZINC000825303836 1320326209 /nfs/dbraw/zinc/32/62/09/1320326209.db2.gz MVMUBAJDRPRCIA-BNOWGMLFSA-N 1 0 326.234 3.058 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1Cl ZINC000825357386 1320331014 /nfs/dbraw/zinc/33/10/14/1320331014.db2.gz DOKRFVVDPRVWQM-ZDUSSCGKSA-N 1 0 335.810 3.257 20 10 EGCDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000825405264 1320335656 /nfs/dbraw/zinc/33/56/56/1320335656.db2.gz FNRPRDNMBDZKEL-LBPRGKRZSA-N 1 0 342.277 3.433 20 10 EGCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825944134 1320373901 /nfs/dbraw/zinc/37/39/01/1320373901.db2.gz QZRNNWNSCGOZDU-HNNXBMFYSA-N 1 0 328.250 3.139 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1Cl ZINC000826037281 1320380233 /nfs/dbraw/zinc/38/02/33/1320380233.db2.gz ZFTIXAFLKISSIC-ZDUSSCGKSA-N 1 0 338.879 3.468 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3ccccc3NC2=O)cc1Cl ZINC000826534779 1320385961 /nfs/dbraw/zinc/38/59/61/1320385961.db2.gz JMLWRLSCSHXOCC-MRXNPFEDSA-N 1 0 330.815 3.397 20 10 EGCDRO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000836405262 1320483525 /nfs/dbraw/zinc/48/35/25/1320483525.db2.gz BJYTYOWIYIAADS-KRWDZBQOSA-N 1 0 346.519 3.379 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838771229 1320814845 /nfs/dbraw/zinc/81/48/45/1320814845.db2.gz JLSXALQJNJWBEO-QGZVFWFLSA-N 1 0 347.503 3.436 20 10 EGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000839147734 1320880199 /nfs/dbraw/zinc/88/01/99/1320880199.db2.gz QGYBNOAZEBBYQY-IYBDPMFKSA-N 1 0 333.432 3.242 20 10 EGCDRO CCCC[C@@H](COC)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145942 1320880497 /nfs/dbraw/zinc/88/04/97/1320880497.db2.gz VMDHHGWQSUVXOM-HNNXBMFYSA-N 1 0 342.430 3.096 20 10 EGCDRO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(O)cc1C ZINC000840131091 1321035739 /nfs/dbraw/zinc/03/57/39/1321035739.db2.gz ZQPBSHWCXTXNHD-SJORKVTESA-N 1 0 331.456 3.490 20 10 EGCDRO COc1cc(C[N@@H+]2CCCc3c(cnn3C)C2)c(O)c(C(C)(C)C)c1 ZINC000840172649 1321043095 /nfs/dbraw/zinc/04/30/95/1321043095.db2.gz CYBZEGCMXWNLOK-UHFFFAOYSA-N 1 0 343.471 3.380 20 10 EGCDRO O=C(NCc1ccc(O)c(O)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000840403737 1321086865 /nfs/dbraw/zinc/08/68/65/1321086865.db2.gz WNPWLXMUYJPJGC-UHFFFAOYSA-N 1 0 340.423 3.014 20 10 EGCDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000840811634 1321154082 /nfs/dbraw/zinc/15/40/82/1321154082.db2.gz HGHMXMYIXCADNO-CRAIPNDOSA-N 1 0 328.456 3.188 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c(O)c1 ZINC000840866799 1321165215 /nfs/dbraw/zinc/16/52/15/1321165215.db2.gz ZUINJOOQZWFDKT-ZBFHGGJFSA-N 1 0 328.412 3.472 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000840887019 1321171479 /nfs/dbraw/zinc/17/14/79/1321171479.db2.gz SBDINJHHUGIHBL-CXMBCZLWSA-N 1 0 325.399 3.470 20 10 EGCDRO CCOC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840894801 1321171753 /nfs/dbraw/zinc/17/17/53/1321171753.db2.gz SXWYAJFKMJVHPQ-INIZCTEOSA-N 1 0 347.503 3.203 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000840933093 1321180365 /nfs/dbraw/zinc/18/03/65/1321180365.db2.gz AEIWDYFLPXRBRR-UHFFFAOYSA-N 1 0 339.483 3.095 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000840938360 1321182088 /nfs/dbraw/zinc/18/20/88/1321182088.db2.gz NSXXEVUMGKUMDT-UHFFFAOYSA-N 1 0 339.483 3.376 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000840941614 1321183058 /nfs/dbraw/zinc/18/30/58/1321183058.db2.gz DKJMZRLEXJNZAF-GOSISDBHSA-N 1 0 330.501 3.085 20 10 EGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccccc2O)c1 ZINC000840955937 1321185809 /nfs/dbraw/zinc/18/58/09/1321185809.db2.gz BMEXVOQYBKUGJS-UHFFFAOYSA-N 1 0 339.844 3.129 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000840964878 1321189368 /nfs/dbraw/zinc/18/93/68/1321189368.db2.gz WTPXYSVOKHIGPG-LBPRGKRZSA-N 1 0 334.357 3.340 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000840972063 1321191095 /nfs/dbraw/zinc/19/10/95/1321191095.db2.gz GQSZNYBGNBRADN-UHFFFAOYSA-N 1 0 338.448 3.090 20 10 EGCDRO COc1ccc(Cl)cc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041529 1321207546 /nfs/dbraw/zinc/20/75/46/1321207546.db2.gz CWOJFVKMILVOIA-QGZVFWFLSA-N 1 0 333.863 3.204 20 10 EGCDRO CC[C@H]([NH3+])CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841072061 1321214097 /nfs/dbraw/zinc/21/40/97/1321214097.db2.gz MDSJSEODVNEYLV-AWEZNQCLSA-N 1 0 340.309 3.266 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(N)cc1 ZINC000841297272 1321248156 /nfs/dbraw/zinc/24/81/56/1321248156.db2.gz DGXSRLRYQOGZRT-JKSUJKDBSA-N 1 0 338.455 3.396 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299955 1321249206 /nfs/dbraw/zinc/24/92/06/1321249206.db2.gz KUASIKKOJNCEPE-HZPDHXFCSA-N 1 0 330.476 3.387 20 10 EGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc2c1CC[NH2+]C2 ZINC000841306685 1321252071 /nfs/dbraw/zinc/25/20/71/1321252071.db2.gz FKOFBPUQJGUJCU-UHFFFAOYSA-N 1 0 348.450 3.030 20 10 EGCDRO C[C@@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000841881079 1321325537 /nfs/dbraw/zinc/32/55/37/1321325537.db2.gz NUROPAMPBWGYPS-RDTXWAMCSA-N 1 0 332.492 3.020 20 10 EGCDRO CCn1nncc1C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841883659 1321325941 /nfs/dbraw/zinc/32/59/41/1321325941.db2.gz VOJQBCIHNWQEOF-AWEZNQCLSA-N 1 0 347.894 3.478 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1O ZINC000841888042 1321326567 /nfs/dbraw/zinc/32/65/67/1321326567.db2.gz CUHZZAQWTBGSPE-AWEZNQCLSA-N 1 0 349.814 3.374 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000841926312 1321329748 /nfs/dbraw/zinc/32/97/48/1321329748.db2.gz GHZCMDHLICXURQ-AEFFLSMTSA-N 1 0 346.519 3.062 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000841988086 1321333515 /nfs/dbraw/zinc/33/35/15/1321333515.db2.gz FHBIEKXWBMUTKM-UHFFFAOYSA-N 1 0 331.460 3.014 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)cc1C ZINC000842635333 1321410204 /nfs/dbraw/zinc/41/02/04/1321410204.db2.gz MDQMCQPJBUYKEA-SFHVURJKSA-N 1 0 338.451 3.147 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(=O)NCc1cccs1 ZINC000842909460 1321448757 /nfs/dbraw/zinc/44/87/57/1321448757.db2.gz QZMJLHPCVMJKLX-LRDDRELGSA-N 1 0 348.468 3.208 20 10 EGCDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843045649 1321461169 /nfs/dbraw/zinc/46/11/69/1321461169.db2.gz ZGXFPBYFTQNGNB-CYBMUJFWSA-N 1 0 329.410 3.203 20 10 EGCDRO Cn1c(Cl)nc(Cl)c1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058396 1321463896 /nfs/dbraw/zinc/46/38/96/1321463896.db2.gz QWYHRKVECORQPU-UHFFFAOYSA-N 1 0 325.243 3.138 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnn(-c2ccc(F)cc2)c1 ZINC000843057936 1321464326 /nfs/dbraw/zinc/46/43/26/1321464326.db2.gz ZVLWZXMQRGURML-UHFFFAOYSA-N 1 0 336.414 3.423 20 10 EGCDRO C[C@H]([NH2+]CCCCCC[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000843340662 1321502065 /nfs/dbraw/zinc/50/20/65/1321502065.db2.gz DEEFPQWFJHONJR-JTQLQIEISA-N 1 0 333.245 3.464 20 10 EGCDRO C[C@@H](c1cn(-c2ccccc2)nn1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350101 1321503344 /nfs/dbraw/zinc/50/33/44/1321503344.db2.gz IZFNGSZXCOLAMM-HNNXBMFYSA-N 1 0 333.439 3.240 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000843349730 1321503660 /nfs/dbraw/zinc/50/36/60/1321503660.db2.gz JVNZLJNUAJQTAK-XLIONFOSSA-N 1 0 341.499 3.079 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000843350251 1321504118 /nfs/dbraw/zinc/50/41/18/1321504118.db2.gz KNBOUWRIJICGLA-JOCHJYFZSA-N 1 0 349.478 3.165 20 10 EGCDRO Cc1ccc(CN(C[C@H]2CC[NH2+]C2)c2ccc3c(c2)OCCO3)s1 ZINC000843357756 1321506249 /nfs/dbraw/zinc/50/62/49/1321506249.db2.gz TYBFQCJMCKIUHZ-HNNXBMFYSA-N 1 0 344.480 3.444 20 10 EGCDRO CC(C)(C)c1ncc(/C=C/C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)s1 ZINC000844199788 1321578059 /nfs/dbraw/zinc/57/80/59/1321578059.db2.gz SZTCXWHITSUQML-VFNNOXKTSA-N 1 0 341.480 3.370 20 10 EGCDRO C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000844923398 1321658238 /nfs/dbraw/zinc/65/82/38/1321658238.db2.gz FZZFNFHGTRFZDB-SNVBAGLBSA-N 1 0 345.256 3.334 20 10 EGCDRO COc1cc(F)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1OC ZINC000845928140 1321754702 /nfs/dbraw/zinc/75/47/02/1321754702.db2.gz JQGWCWBPPSPAEW-UHFFFAOYSA-N 1 0 336.382 3.338 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC000846115825 1321768830 /nfs/dbraw/zinc/76/88/30/1321768830.db2.gz BQQBNJVEMMSLPK-CYBMUJFWSA-N 1 0 348.187 3.394 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cccc(OC)c2O)N(C)C)c1 ZINC000846137184 1321770174 /nfs/dbraw/zinc/77/01/74/1321770174.db2.gz KVBUEAOCEPHMFY-KDOFPFPSSA-N 1 0 344.455 3.363 20 10 EGCDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846151470 1321772032 /nfs/dbraw/zinc/77/20/32/1321772032.db2.gz YZIGQMFAJXVEBM-CXAGYDPISA-N 1 0 331.412 3.184 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1O ZINC000846157334 1321772616 /nfs/dbraw/zinc/77/26/16/1321772616.db2.gz KHCZLLVAQOXPED-UOJODKQESA-N 1 0 325.499 3.431 20 10 EGCDRO CCCNC(=O)CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000846824025 1321812784 /nfs/dbraw/zinc/81/27/84/1321812784.db2.gz GFHYAYUOPIPEJO-UHFFFAOYSA-N 1 0 330.428 3.294 20 10 EGCDRO Cc1cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)ccc1N1CCCCC1 ZINC000846922563 1321823958 /nfs/dbraw/zinc/82/39/58/1321823958.db2.gz YSKJYQRGAWUSFK-GOSISDBHSA-N 1 0 329.488 3.038 20 10 EGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1O ZINC000848918929 1322045618 /nfs/dbraw/zinc/04/56/18/1322045618.db2.gz BNESBFJJUWTIBR-LJQANCHMSA-N 1 0 338.451 3.093 20 10 EGCDRO CC(C)[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000920274132 1322157231 /nfs/dbraw/zinc/15/72/31/1322157231.db2.gz LCCFTQQMUJWKFB-LJQANCHMSA-N 1 0 331.504 3.222 20 10 EGCDRO COc1cc(C[NH2+]Cc2ncccc2N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850303161 1322225175 /nfs/dbraw/zinc/22/51/75/1322225175.db2.gz SKJFKJBRDFYRNQ-UHFFFAOYSA-N 1 0 343.471 3.449 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2cccnc2N2CCCC2)c1O ZINC000850352607 1322232505 /nfs/dbraw/zinc/23/25/05/1322232505.db2.gz CDTAVBUKBRYZJT-UHFFFAOYSA-N 1 0 327.428 3.076 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000850407422 1322240103 /nfs/dbraw/zinc/24/01/03/1322240103.db2.gz HLDGSFPDTUYTEV-FQEVSTJZSA-N 1 0 332.488 3.208 20 10 EGCDRO COC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000850406771 1322240541 /nfs/dbraw/zinc/24/05/41/1322240541.db2.gz STBNBYLCDOYQRO-UHFFFAOYSA-N 1 0 332.488 3.087 20 10 EGCDRO Oc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1Cl ZINC000850406318 1322240858 /nfs/dbraw/zinc/24/08/58/1322240858.db2.gz BEMAJDRGOPPFSZ-UHFFFAOYSA-N 1 0 346.858 3.297 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000850417354 1322243191 /nfs/dbraw/zinc/24/31/91/1322243191.db2.gz TYGJHMZRUGQLRY-CYBMUJFWSA-N 1 0 338.448 3.136 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(Br)cc1O ZINC000850544953 1322264318 /nfs/dbraw/zinc/26/43/18/1322264318.db2.gz KXTPQSHXBDUXAE-ZYHUDNBSSA-N 1 0 328.250 3.214 20 10 EGCDRO C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000850557718 1322267723 /nfs/dbraw/zinc/26/77/23/1322267723.db2.gz RZOGXGWXDVKEKD-KXBFYZLASA-N 1 0 344.499 3.175 20 10 EGCDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566721 1322269420 /nfs/dbraw/zinc/26/94/20/1322269420.db2.gz RAJHYYLKLAMVRB-CQSZACIVSA-N 1 0 343.471 3.357 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCSCC1 ZINC000850567617 1322269838 /nfs/dbraw/zinc/26/98/38/1322269838.db2.gz HIJDMNPCUFMXKA-HNNXBMFYSA-N 1 0 334.529 3.269 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(F)ccc1O ZINC000850568349 1322270130 /nfs/dbraw/zinc/27/01/30/1322270130.db2.gz VWZIJINCLPTNMI-AWEZNQCLSA-N 1 0 344.430 3.343 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922113410 1322458390 /nfs/dbraw/zinc/45/83/90/1322458390.db2.gz LXQSEHXPBKMYLK-FQEVSTJZSA-N 1 0 340.467 3.413 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C=C3CCC3)C2)cc1C ZINC001023928685 1323033926 /nfs/dbraw/zinc/03/39/26/1323033926.db2.gz RTCCSDCJNLYPBK-LJQANCHMSA-N 1 0 342.483 3.442 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C ZINC001024247072 1323231183 /nfs/dbraw/zinc/23/11/83/1323231183.db2.gz NRDMVVVKJMTRBT-QGZVFWFLSA-N 1 0 332.488 3.378 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1 ZINC000852791990 1323243565 /nfs/dbraw/zinc/24/35/65/1323243565.db2.gz ONTXDCMVLSISTC-HCXYKTFWSA-N 1 0 329.488 3.085 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853555854 1325123455 /nfs/dbraw/zinc/12/34/55/1325123455.db2.gz QUUCTOFSIXUAOD-WMLDXEAASA-N 1 0 330.472 3.099 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000853594471 1325131747 /nfs/dbraw/zinc/13/17/47/1325131747.db2.gz RAALKHMLMMWBEH-INIZCTEOSA-N 1 0 344.499 3.442 20 10 EGCDRO C[C@H](NCC1([NH3+])CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000854222478 1325230337 /nfs/dbraw/zinc/23/03/37/1325230337.db2.gz HESIOWOKPKMSQW-AWEZNQCLSA-N 1 0 337.895 3.099 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000857069956 1325567921 /nfs/dbraw/zinc/56/79/21/1325567921.db2.gz XTTFFRPMGOIFLI-DNVCBOLYSA-N 1 0 332.444 3.271 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)c(C)n1-c1ccccc1 ZINC000926765424 1327706939 /nfs/dbraw/zinc/70/69/39/1327706939.db2.gz UDDPCEZLNFLXPZ-KSSFIOAISA-N 1 0 325.456 3.241 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000862249552 1329471257 /nfs/dbraw/zinc/47/12/57/1329471257.db2.gz TXQYPFIXKWOQGR-LBPRGKRZSA-N 1 0 349.228 3.203 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000862485133 1329490534 /nfs/dbraw/zinc/49/05/34/1329490534.db2.gz HEKRDECTHVADSX-ZFWWWQNUSA-N 1 0 335.444 3.201 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000862485549 1329490799 /nfs/dbraw/zinc/49/07/99/1329490799.db2.gz OYPZSISPSRCRGL-CZUORRHYSA-N 1 0 335.444 3.201 20 10 EGCDRO CC1(N2CCOCC2)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000862504630 1329491808 /nfs/dbraw/zinc/49/18/08/1329491808.db2.gz JNLQQZVKHDKPJD-UHFFFAOYSA-N 1 0 340.467 3.232 20 10 EGCDRO Cc1cc(CNC(=O)CC2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000863165490 1329531790 /nfs/dbraw/zinc/53/17/90/1329531790.db2.gz BOCDPACVFIZSLQ-UHFFFAOYSA-N 1 0 339.483 3.442 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000863337323 1329547821 /nfs/dbraw/zinc/54/78/21/1329547821.db2.gz ZYIVMSMQARMAED-ZDUSSCGKSA-N 1 0 338.448 3.054 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1 ZINC000865731743 1329733733 /nfs/dbraw/zinc/73/37/33/1329733733.db2.gz YDMWTBPKWYZADY-NSHDSACASA-N 1 0 328.368 3.489 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)cc1C ZINC000968327261 1335890846 /nfs/dbraw/zinc/89/08/46/1335890846.db2.gz WNLOPHBCWNNACX-XSYGEPLQSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3CC=CCC3)C2)cc1C ZINC000969604330 1336227445 /nfs/dbraw/zinc/22/74/45/1336227445.db2.gz WAGBBUOLMDJRSG-PKOBYXMFSA-N 1 0 342.483 3.441 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2c([O-])cc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205638303 1370823564 /nfs/dbraw/zinc/82/35/64/1370823564.db2.gz MBMVVIJJOUQTRQ-WDEREUQCSA-N 1 0 345.256 3.101 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccs3)C2)cc1C ZINC001018449432 1339624334 /nfs/dbraw/zinc/62/43/34/1339624334.db2.gz CCQYSWAEUGKMAC-HNNXBMFYSA-N 1 0 330.453 3.069 20 10 EGCDRO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699911 1341966565 /nfs/dbraw/zinc/96/65/65/1341966565.db2.gz RXFHZIGBSSXFHC-MRXNPFEDSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C2CCC2)cc1C ZINC001036920304 1343864224 /nfs/dbraw/zinc/86/42/24/1343864224.db2.gz MWTZFXNWVVNBCU-QZTJIDSGSA-N 1 0 330.472 3.178 20 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1360951866 /nfs/dbraw/zinc/95/18/66/1360951866.db2.gz BNSJGKCMLYIGOA-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO CN1CCN(c2ccc(C[NH+]3CCC4(CCC4)CC3)cc2F)CC1 ZINC001324002811 1387506660 /nfs/dbraw/zinc/50/66/60/1387506660.db2.gz UMDLYCNJNVGDRS-UHFFFAOYSA-N 1 0 331.479 3.344 20 10 EGCDRO Fc1ccc(C2C[NH+](Cc3ccc(N4CCOCC4)c(F)c3)C2)cc1 ZINC001324710969 1387747224 /nfs/dbraw/zinc/74/72/24/1387747224.db2.gz QZFDWYDVTOLPNP-UHFFFAOYSA-N 1 0 344.405 3.401 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@](CO)(C(C)C)C3)cc2)CC1 ZINC001324731875 1387755424 /nfs/dbraw/zinc/75/54/24/1387755424.db2.gz PZOFUNZCSUVFQT-NRFANRHFSA-N 1 0 346.515 3.142 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC001201427364 1369542917 /nfs/dbraw/zinc/54/29/17/1369542917.db2.gz LMUSYAYJIFDTKN-SFHVURJKSA-N 1 0 330.472 3.190 20 10 EGCDRO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001325582118 1388007789 /nfs/dbraw/zinc/00/77/89/1388007789.db2.gz OIBQZCAYUBKISZ-FQEVSTJZSA-N 1 0 341.499 3.264 20 10 EGCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC001201917870 1369642716 /nfs/dbraw/zinc/64/27/16/1369642716.db2.gz CONDDQCWXJCWCK-HXUWFJFHSA-N 1 0 330.472 3.024 20 10 EGCDRO O=C(Nc1cccc(F)c1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001202234750 1369720322 /nfs/dbraw/zinc/72/03/22/1369720322.db2.gz NGCPNVNWAXSRFO-UHFFFAOYSA-N 1 0 343.402 3.317 20 10 EGCDRO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2Cc1ccccc1O ZINC001203550063 1370166135 /nfs/dbraw/zinc/16/61/35/1370166135.db2.gz GPXDHJQJASTTOP-UHFFFAOYSA-N 1 0 332.444 3.368 20 10 EGCDRO CC(C)[C@@H]1C[N@H+](Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC001203551737 1370167010 /nfs/dbraw/zinc/16/70/10/1370167010.db2.gz MDZAULHNTIBRRJ-INIZCTEOSA-N 1 0 334.460 3.470 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2ccccc2O)Cc2c1cnn2CC1CC1 ZINC001203551672 1370167080 /nfs/dbraw/zinc/16/70/80/1370167080.db2.gz KCZCRISTILLMJA-KRWDZBQOSA-N 1 0 341.455 3.135 20 10 EGCDRO COc1cccc(C[N@H+](C)CCc2cccc(C(F)(F)F)n2)c1O ZINC001203586063 1370178921 /nfs/dbraw/zinc/17/89/21/1370178921.db2.gz 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ZINC001203651440 1370201449 /nfs/dbraw/zinc/20/14/49/1370201449.db2.gz OMNXZFIWFUGSLE-OLZOCXBDSA-N 1 0 341.732 3.273 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001203655895 1370203499 /nfs/dbraw/zinc/20/34/99/1370203499.db2.gz DPPJDYVKBYOCIM-HOTGVXAUSA-N 1 0 343.858 3.004 20 10 EGCDRO Cc1cccnc1N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203658386 1370204848 /nfs/dbraw/zinc/20/48/48/1370204848.db2.gz SWGMGYPMZAOIHZ-UHFFFAOYSA-N 1 0 331.847 3.461 20 10 EGCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658766 1370204988 /nfs/dbraw/zinc/20/49/88/1370204988.db2.gz NYFZHGKKEPTPEI-DOTOQJQBSA-N 1 0 325.836 3.206 20 10 EGCDRO O=C1[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]2CN1c1ccccc1 ZINC001203659039 1370205197 /nfs/dbraw/zinc/20/51/97/1370205197.db2.gz QIRLHRYHXOYHNX-YOEHRIQHSA-N 1 0 342.826 3.140 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC001203664625 1370208874 /nfs/dbraw/zinc/20/88/74/1370208874.db2.gz NXTXVLWXZCHIPJ-JSGCOSHPSA-N 1 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1370323330 /nfs/dbraw/zinc/32/33/30/1370323330.db2.gz HETSEAKZKUGROI-UHFFFAOYSA-N 1 0 331.504 3.256 20 10 EGCDRO CCC(=O)N(C)C1CC[NH+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203943688 1370324191 /nfs/dbraw/zinc/32/41/91/1370324191.db2.gz FOTNJGRPKDWPHG-UHFFFAOYSA-N 1 0 331.504 3.366 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)cc1 ZINC001203946596 1370325235 /nfs/dbraw/zinc/32/52/35/1370325235.db2.gz XAMVILVWUKZSDC-LJQANCHMSA-N 1 0 340.471 3.285 20 10 EGCDRO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204241317 1370420031 /nfs/dbraw/zinc/42/00/31/1370420031.db2.gz DYVALUIOOHHVCT-KRWDZBQOSA-N 1 0 325.456 3.006 20 10 EGCDRO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204279219 1370429547 /nfs/dbraw/zinc/42/95/47/1370429547.db2.gz SWFXWTYNXOXGMV-UHFFFAOYSA-N 1 0 341.407 3.201 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccc(O)cc2O)C2CC2)C1 ZINC001204277603 1370429955 /nfs/dbraw/zinc/42/99/55/1370429955.db2.gz GLGNICHNXZAKJI-OAHLLOKOSA-N 1 0 348.443 3.072 20 10 EGCDRO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204282750 1370431622 /nfs/dbraw/zinc/43/16/22/1370431622.db2.gz VIUUKQSYAKDAQG-KRWDZBQOSA-N 1 0 341.407 3.053 20 10 EGCDRO CC[N@H+](Cc1cc(Br)cc(OC)c1O)C1CCOCC1 ZINC001204338510 1370447326 /nfs/dbraw/zinc/44/73/26/1370447326.db2.gz JGCWPVFVQIPAOY-UHFFFAOYSA-N 1 0 344.249 3.164 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](OC(C)C)C2)c1O ZINC001204341601 1370448508 /nfs/dbraw/zinc/44/85/08/1370448508.db2.gz HPVIAHJXKJUDMK-ZDUSSCGKSA-N 1 0 344.249 3.163 20 10 EGCDRO COc1cc(C[NH+]2CCC(Sc3ccncc3)CC2)cc(O)c1O ZINC001204346176 1370449588 /nfs/dbraw/zinc/44/95/88/1370449588.db2.gz MDFNSCGAFSNESL-UHFFFAOYSA-N 1 0 346.452 3.258 20 10 EGCDRO C[C@]1([NH3+])CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001204946476 1370613315 /nfs/dbraw/zinc/61/33/15/1370613315.db2.gz OPNHJJVRJAQXSS-FQEVSTJZSA-N 1 0 326.440 3.284 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)c2c1 ZINC001205580359 1370798488 /nfs/dbraw/zinc/79/84/88/1370798488.db2.gz SPOIOILFVBUZCX-IBGZPJMESA-N 1 0 332.419 3.207 20 10 EGCDRO CC[NH+](CC)C1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001116657252 1370952455 /nfs/dbraw/zinc/95/24/55/1370952455.db2.gz VUYGHMPZQCNCAN-INIZCTEOSA-N 1 0 346.519 3.329 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2c(Cl)cccc2N(C)C)cc1 ZINC001326076627 1388109143 /nfs/dbraw/zinc/10/91/43/1388109143.db2.gz QUSUUWDHQOQYJW-GOSISDBHSA-N 1 0 346.906 3.262 20 10 EGCDRO Cc1cc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)c(O)cc1Br ZINC001206809402 1371175460 /nfs/dbraw/zinc/17/54/60/1371175460.db2.gz LPMUYZNJKSIWJC-NWDGAFQWSA-N 1 0 327.266 3.022 20 10 EGCDRO COc1ccccc1CCC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001208840984 1371912376 /nfs/dbraw/zinc/91/23/76/1371912376.db2.gz AFXXNNRFFRJPTH-UHFFFAOYSA-N 1 0 327.424 3.487 20 10 EGCDRO CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211345561 1372537226 /nfs/dbraw/zinc/53/72/26/1372537226.db2.gz KHXLSULHMZYQMU-BBRMVZONSA-N 1 0 345.447 3.089 20 10 EGCDRO O=C1C=CC(=NNc2ccccc2)C(O[C@@H]2COC3(C[NH2+]C3)C2)=C1 ZINC001218060382 1373550027 /nfs/dbraw/zinc/55/00/27/1373550027.db2.gz SVMUIWUJWDYQDU-IWKHNONTSA-N 1 0 325.368 3.317 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCCC2(F)F)cc1C ZINC001132880361 1375620909 /nfs/dbraw/zinc/62/09/09/1375620909.db2.gz KHAUIPSKSQJTJE-HNNXBMFYSA-N 1 0 340.414 3.035 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2cc(C)cc(C)c2)cc1C ZINC001133241912 1375863193 /nfs/dbraw/zinc/86/31/93/1375863193.db2.gz UTMXSVXRGHPTAZ-UHFFFAOYSA-N 1 0 340.467 3.069 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2ccccn2)cc1C ZINC001133535552 1376068111 /nfs/dbraw/zinc/06/81/11/1376068111.db2.gz IOIVEBPRPXQMLX-HOTGVXAUSA-N 1 0 341.455 3.085 20 10 EGCDRO COc1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(O)cc1O ZINC001231634878 1376287102 /nfs/dbraw/zinc/28/71/02/1376287102.db2.gz CHWDSLCLHIWUGB-UHFFFAOYSA-N 1 0 347.386 3.289 20 10 EGCDRO Cc1cccc(C(=O)N2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)c1 ZINC001231845893 1376325163 /nfs/dbraw/zinc/32/51/63/1376325163.db2.gz TWHJWFCBIBLVIK-UHFFFAOYSA-N 1 0 338.451 3.275 20 10 EGCDRO CC[C@@H]1[N@H+](Cc2c(C)cc(C)cc2O)CCC[C@]12CCC(=O)N2C ZINC001231844639 1376325776 /nfs/dbraw/zinc/32/57/76/1376325776.db2.gz KUJUKROACVFFML-ICSRJNTNSA-N 1 0 330.472 3.374 20 10 EGCDRO Cc1cncnc1O[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231871802 1376332672 /nfs/dbraw/zinc/33/26/72/1376332672.db2.gz RPKDESGBDQJEBX-HNNXBMFYSA-N 1 0 347.846 3.496 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C[C@H]1CCCCO1 ZINC001232203530 1376416885 /nfs/dbraw/zinc/41/68/85/1376416885.db2.gz XSDLMMWKULVUHC-MRXNPFEDSA-N 1 0 338.879 3.178 20 10 EGCDRO Cc1ccc(C[NH+]2CCN(Cc3cc(Cl)c(O)cc3O)CC2)cc1 ZINC001232261373 1376426485 /nfs/dbraw/zinc/42/64/85/1376426485.db2.gz FLGIJVZOWJNHLQ-UHFFFAOYSA-N 1 0 346.858 3.377 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001232269177 1376427107 /nfs/dbraw/zinc/42/71/07/1376427107.db2.gz SJAMWNHTGZBCPF-AWEZNQCLSA-N 1 0 333.762 3.054 20 10 EGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269381 1376427443 /nfs/dbraw/zinc/42/74/43/1376427443.db2.gz XVHRUTLFRCADEH-GFCCVEGCSA-N 1 0 341.835 3.219 20 10 EGCDRO CNc1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001232672083 1376498594 /nfs/dbraw/zinc/49/85/94/1376498594.db2.gz XJTADTBTYHKARR-UHFFFAOYSA-N 1 0 325.456 3.197 20 10 EGCDRO Cc1cc(Br)cc(CN2CCC([NH+]3CCC3)CC2)c1O ZINC001233111828 1376572646 /nfs/dbraw/zinc/57/26/46/1376572646.db2.gz ZWGRTUMIEARGLR-UHFFFAOYSA-N 1 0 339.277 3.133 20 10 EGCDRO OC[C@H]1CCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233194075 1376583407 /nfs/dbraw/zinc/58/34/07/1376583407.db2.gz LFEOFVADWMESMN-CYBMUJFWSA-N 1 0 336.229 3.265 20 10 EGCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286963 1376604432 /nfs/dbraw/zinc/60/44/32/1376604432.db2.gz QMGYMFGKOJOVHU-VBQJREDUSA-N 1 0 331.456 3.463 20 10 EGCDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233285445 1376605252 /nfs/dbraw/zinc/60/52/52/1376605252.db2.gz GRAITGKGPSIXDK-QGZVFWFLSA-N 1 0 344.499 3.380 20 10 EGCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC001233451233 1376649483 /nfs/dbraw/zinc/64/94/83/1376649483.db2.gz CJSKWBOERQEAHD-UHFFFAOYSA-N 1 0 337.345 3.128 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(O)c(O)cc1O ZINC001233485495 1376652774 /nfs/dbraw/zinc/65/27/74/1376652774.db2.gz XYCIJUCMNCLKQK-UHFFFAOYSA-N 1 0 328.412 3.036 20 10 EGCDRO OCC[C@H]1CC12CC[NH+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233737109 1376706245 /nfs/dbraw/zinc/70/62/45/1376706245.db2.gz WCSHLONPYVGGGA-ZDUSSCGKSA-N 1 0 345.361 3.275 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(Cl)cs2)cc1C ZINC001134788858 1376722175 /nfs/dbraw/zinc/72/21/75/1376722175.db2.gz LDMKGSPZCSMXHG-UHFFFAOYSA-N 1 0 338.860 3.238 20 10 EGCDRO CC(C)C[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CC[NH2+]1 ZINC001235882708 1376909142 /nfs/dbraw/zinc/90/91/42/1376909142.db2.gz WQOYUHZSMMNPGM-LBPRGKRZSA-N 1 0 332.366 3.111 20 10 EGCDRO CCCC[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CC[NH2+]1 ZINC001236140350 1376935588 /nfs/dbraw/zinc/93/55/88/1376935588.db2.gz DUCMIAHUCVXZLN-CYBMUJFWSA-N 1 0 332.366 3.255 20 10 EGCDRO Cc1cc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c(O)cc1Br ZINC001236240170 1376944901 /nfs/dbraw/zinc/94/49/01/1376944901.db2.gz LJFNTBOYIBQBTI-CQSZACIVSA-N 1 0 339.277 3.180 20 10 EGCDRO C[N@H+](Cc1cc(C(F)(F)F)ccc1O)[C@H]1CCC2(C1)OCCO2 ZINC001237141796 1376976450 /nfs/dbraw/zinc/97/64/50/1376976450.db2.gz CJNNRRVAZWUPCG-ZDUSSCGKSA-N 1 0 331.334 3.138 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c(O)c(OC)c1 ZINC001237675094 1376983332 /nfs/dbraw/zinc/98/33/32/1376983332.db2.gz SSHKPDYYBDGRLV-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c(O)c(OC)c1 ZINC001237675842 1376983589 /nfs/dbraw/zinc/98/35/89/1376983589.db2.gz HKLQVTUWLOWXQZ-KRWDZBQOSA-N 1 0 343.423 3.201 20 10 EGCDRO COc1cc(CN2CC[NH+](C3CCC(C)CC3)CC2)c(O)c(OC)c1 ZINC001237675909 1376983605 /nfs/dbraw/zinc/98/36/05/1376983605.db2.gz IEKITTFBKURAFU-UHFFFAOYSA-N 1 0 348.487 3.106 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246821055 1377055327 /nfs/dbraw/zinc/05/53/27/1377055327.db2.gz HULAIFNKCIQIAM-QDMKHBRRSA-N 1 0 327.472 3.074 20 10 EGCDRO Oc1cccc(F)c1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001137837554 1377627085 /nfs/dbraw/zinc/62/70/85/1377627085.db2.gz LSOHADAFDOMNCB-IAGOWNOFSA-N 1 0 326.415 3.095 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(C)n1-c1ccccc1 ZINC001137856059 1377631419 /nfs/dbraw/zinc/63/14/19/1377631419.db2.gz OVKBEABBIUOOCB-JRGCBEDISA-N 1 0 340.467 3.066 20 10 EGCDRO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1ccccc1 ZINC001137857990 1377632474 /nfs/dbraw/zinc/63/24/74/1377632474.db2.gz RQEBGBVVNWXKPV-GOSISDBHSA-N 1 0 339.483 3.394 20 10 EGCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138221016 1377690862 /nfs/dbraw/zinc/69/08/62/1377690862.db2.gz WXHYEILOEOVHAJ-GOSISDBHSA-N 1 0 330.472 3.452 20 10 EGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC001138219541 1377690868 /nfs/dbraw/zinc/69/08/68/1377690868.db2.gz GGHWRSYGNNSPND-LPHOPBHVSA-N 1 0 330.472 3.450 20 10 EGCDRO CC(C)OC1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337455 1377704697 /nfs/dbraw/zinc/70/46/97/1377704697.db2.gz QBOKFLJLJFCXIP-UHFFFAOYSA-N 1 0 344.499 3.480 20 10 EGCDRO Cc1cccnc1N1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138355043 1377708816 /nfs/dbraw/zinc/70/88/16/1377708816.db2.gz ZTGPYSDVPRRDOX-UHFFFAOYSA-N 1 0 336.483 3.095 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(N(C)C)s3)CC2)c(C)c1 ZINC001138493375 1377733304 /nfs/dbraw/zinc/73/33/04/1377733304.db2.gz ZEUDUOXXPWKMKK-UHFFFAOYSA-N 1 0 345.512 3.453 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001138500051 1377733456 /nfs/dbraw/zinc/73/34/56/1377733456.db2.gz SETNXTACCZMTAY-NRFANRHFSA-N 1 0 344.499 3.304 20 10 EGCDRO Oc1cccc(Br)c1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001140103754 1378008386 /nfs/dbraw/zinc/00/83/86/1378008386.db2.gz UCZWFVCGUWMYJJ-NSHDSACASA-N 1 0 344.224 3.248 20 10 EGCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)nc1 ZINC001140185425 1378027984 /nfs/dbraw/zinc/02/79/84/1378027984.db2.gz VCPLEANMNIPAAF-KRWDZBQOSA-N 1 0 342.439 3.456 20 10 EGCDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140341200 1378049078 /nfs/dbraw/zinc/04/90/78/1378049078.db2.gz CFNYMRFIAWCEKW-OAHLLOKOSA-N 1 0 338.879 3.121 20 10 EGCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)nc1 ZINC001140464344 1378067816 /nfs/dbraw/zinc/06/78/16/1378067816.db2.gz MARYHUOVWSDRNW-OAHLLOKOSA-N 1 0 334.803 3.103 20 10 EGCDRO CC(C)N1CCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)C1=O ZINC001140464578 1378068413 /nfs/dbraw/zinc/06/84/13/1378068413.db2.gz VXWQLUOXRDFDQU-UHFFFAOYSA-N 1 0 336.863 3.269 20 10 EGCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272618311 1378076728 /nfs/dbraw/zinc/07/67/28/1378076728.db2.gz FMADWRYQNBUREV-OXQOHEQNSA-N 1 0 330.472 3.395 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3)CC2)c(OC)c1 ZINC001140576526 1378088471 /nfs/dbraw/zinc/08/84/71/1378088471.db2.gz ZSICIMKLCLUHDV-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c1 ZINC001140617061 1378098351 /nfs/dbraw/zinc/09/83/51/1378098351.db2.gz BSKYYTMAKDTEOL-HNNXBMFYSA-N 1 0 334.460 3.389 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001140619289 1378098694 /nfs/dbraw/zinc/09/86/94/1378098694.db2.gz AEPBVQVIMPSVDK-OAHLLOKOSA-N 1 0 346.471 3.389 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)c1 ZINC001140620831 1378099545 /nfs/dbraw/zinc/09/95/45/1378099545.db2.gz CRXDTACTIFQXAD-KRWDZBQOSA-N 1 0 339.439 3.029 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2c1cnn2CC ZINC001140621588 1378100255 /nfs/dbraw/zinc/10/02/55/1378100255.db2.gz LWOMDWOPBFOGMV-MRXNPFEDSA-N 1 0 329.444 3.053 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)c(C)c1 ZINC001140623658 1378100482 /nfs/dbraw/zinc/10/04/82/1378100482.db2.gz OJMWQZCSCXHLLZ-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO Cc1ccc(CN2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140745400 1378128336 /nfs/dbraw/zinc/12/83/36/1378128336.db2.gz IVZSMKBEVGTLTR-UHFFFAOYSA-N 1 0 326.440 3.032 20 10 EGCDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(O)c(C)c1O ZINC001140748145 1378128870 /nfs/dbraw/zinc/12/88/70/1378128870.db2.gz SFFXLUMEBMIULB-CQSZACIVSA-N 1 0 343.423 3.360 20 10 EGCDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140749481 1378129715 /nfs/dbraw/zinc/12/97/15/1378129715.db2.gz BMWAEZJUIQEMBW-MRXNPFEDSA-N 1 0 347.455 3.352 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(Cl)c1 ZINC001140923502 1378181624 /nfs/dbraw/zinc/18/16/24/1378181624.db2.gz CCZVURZUZDXWLB-UHFFFAOYSA-N 1 0 349.906 3.240 20 10 EGCDRO COc1ccc(CC[N@@H+](Cc2ccc(C)cc2O)C[C@H](C)O)cc1 ZINC001140948324 1378188462 /nfs/dbraw/zinc/18/84/62/1378188462.db2.gz DVQWXPKXCYCKHD-INIZCTEOSA-N 1 0 329.440 3.135 20 10 EGCDRO Oc1ccc(O)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC001141161512 1378254487 /nfs/dbraw/zinc/25/44/87/1378254487.db2.gz STVSNYZJNDTFKL-UHFFFAOYSA-N 1 0 325.408 3.162 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cccc(-n4ccnc4)c3)CC2)cc1 ZINC001141237736 1378280401 /nfs/dbraw/zinc/28/04/01/1378280401.db2.gz XFRUETIUBVVXCF-UHFFFAOYSA-N 1 0 348.450 3.203 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001141367774 1378311515 /nfs/dbraw/zinc/31/15/15/1378311515.db2.gz PNKOTILHLBWJRS-YMTOWFKASA-N 1 0 348.668 3.401 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001142534314 1378454037 /nfs/dbraw/zinc/45/40/37/1378454037.db2.gz DYFOEEDSWDIVGC-HOTGVXAUSA-N 1 0 328.378 3.069 20 10 EGCDRO CN(C)C1=NOC2(C1)CC[NH+](Cc1cccc(C(C)(C)C)c1O)CC2 ZINC001143107859 1378542074 /nfs/dbraw/zinc/54/20/74/1378542074.db2.gz DIFWZBGNFBYWGI-UHFFFAOYSA-N 1 0 345.487 3.320 20 10 EGCDRO CC(C)(C)c1cccc(CN2CCN(C(=O)C3CCC3)CC2)c1O ZINC001143112648 1378542143 /nfs/dbraw/zinc/54/21/43/1378542143.db2.gz XYDFXKFARQMETG-UHFFFAOYSA-N 1 0 330.472 3.134 20 10 EGCDRO C[NH+](C)CC1CC[NH+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144299785 1378713442 /nfs/dbraw/zinc/71/34/42/1378713442.db2.gz IGIZVFRJDZIJQD-UHFFFAOYSA-N 1 0 345.256 3.067 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(C)(C)C)nn3)cc2)CC1 ZINC001156657724 1380606109 /nfs/dbraw/zinc/60/61/09/1380606109.db2.gz PFJYREFCSWEHPK-UHFFFAOYSA-N 1 0 339.487 3.138 20 10 EGCDRO Cc1cc2cccnc2c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156660013 1380606355 /nfs/dbraw/zinc/60/63/55/1380606355.db2.gz RSKUEYQFDDYARC-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]([NH3+])c1ccccc1 ZINC001157431891 1380889308 /nfs/dbraw/zinc/88/93/08/1380889308.db2.gz AUNAHZNTBXFYND-MJGOQNOKSA-N 1 0 338.451 3.449 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CC[C@H](C)C2)cc1C ZINC001164172276 1383162729 /nfs/dbraw/zinc/16/27/29/1383162729.db2.gz UXKIRUCHCCOUDQ-DOTOQJQBSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C[C@H]3C[C@H]3C)CC2)cc1C ZINC001166994446 1383512201 /nfs/dbraw/zinc/51/22/01/1383512201.db2.gz MMUDJRZZZASKIS-CRAIPNDOSA-N 1 0 344.499 3.426 20 10 EGCDRO CCOc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001167431216 1383631555 /nfs/dbraw/zinc/63/15/55/1383631555.db2.gz MVPWNSSTTQHGDF-UHFFFAOYSA-N 1 0 325.456 3.449 20 10 EGCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(Br)ccc1O)C2 ZINC001168244116 1383852841 /nfs/dbraw/zinc/85/28/41/1383852841.db2.gz MJXJDOMPWWCKPS-OAHLLOKOSA-N 1 0 348.240 3.420 20 10 EGCDRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc(O)c(O)c3)CCO2)cc1 ZINC001168603292 1383946442 /nfs/dbraw/zinc/94/64/42/1383946442.db2.gz XFEYFWJXLFDPMO-HNAYVOBHSA-N 1 0 329.396 3.116 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001168824237 1384020596 /nfs/dbraw/zinc/02/05/96/1384020596.db2.gz NZMPWZAUVXPSCS-GOEBONIOSA-N 1 0 333.476 3.240 20 10 EGCDRO CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001169051570 1384100431 /nfs/dbraw/zinc/10/04/31/1384100431.db2.gz XNVFUUQHFRMILA-PXNSSMCTSA-N 1 0 329.440 3.378 20 10 EGCDRO O=C(OC1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1)c1ccccc1 ZINC001169280555 1384131711 /nfs/dbraw/zinc/13/17/11/1384131711.db2.gz SELJGICJJDSYKE-UHFFFAOYSA-N 1 0 341.407 3.356 20 10 EGCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001177820091 1386056303 /nfs/dbraw/zinc/05/63/03/1386056303.db2.gz SSZUCMNWFFJSQJ-YJBOKZPZSA-N 1 0 332.488 3.426 20 10 EGCDRO C[N@@H+]1CCCC[C@@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001178691112 1386278581 /nfs/dbraw/zinc/27/85/81/1386278581.db2.gz LHADQZOVKWPTGL-HBPBUEFCSA-N 1 0 338.415 3.090 20 10 EGCDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC001319859399 1386339223 /nfs/dbraw/zinc/33/92/23/1386339223.db2.gz UIZOLAUDVZHRCA-QGZVFWFLSA-N 1 0 331.504 3.490 20 10 EGCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)cc2F)CC1 ZINC001319925144 1386394894 /nfs/dbraw/zinc/39/48/94/1386394894.db2.gz CILDZLMQKBWUAM-HXUWFJFHSA-N 1 0 342.462 3.243 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)COc1ccccc1 ZINC001320119303 1386525054 /nfs/dbraw/zinc/52/50/54/1386525054.db2.gz ZVBISRXWYUHFDI-VYDXJSESSA-N 1 0 327.424 3.278 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCS(=O)(=O)C(C)(C)C ZINC001320252345 1386563862 /nfs/dbraw/zinc/56/38/62/1386563862.db2.gz DLOCUOONYAMUGE-QWHCGFSZSA-N 1 0 325.474 3.052 20 10 EGCDRO CC(C)[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC001180130311 1386706321 /nfs/dbraw/zinc/70/63/21/1386706321.db2.gz HLXAQDISGOCKBJ-JQPQZFQTSA-N 1 0 329.488 3.001 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001321027052 1386787401 /nfs/dbraw/zinc/78/74/01/1386787401.db2.gz IKOCFOQFSSQWDI-UTUOFQBUSA-N 1 0 342.361 3.002 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccc1F ZINC001330298587 1389381602 /nfs/dbraw/zinc/38/16/02/1389381602.db2.gz DQXYAFWRUGFPQP-UHFFFAOYSA-N 1 0 344.430 3.085 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCNC(=O)c1ccccc1F ZINC001337795589 1389445767 /nfs/dbraw/zinc/44/57/67/1389445767.db2.gz HRBWUOXYYKIUKF-CZUORRHYSA-N 1 0 342.414 3.408 20 10 EGCDRO COCn1ncc(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001333666441 1390369112 /nfs/dbraw/zinc/36/91/12/1390369112.db2.gz OMRRSPYDPVJAPB-UHFFFAOYSA-N 1 0 328.460 3.026 20 10 EGCDRO CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC001342501773 1390619375 /nfs/dbraw/zinc/61/93/75/1390619375.db2.gz BPJRNTDWSGJEKM-XMMPIXPASA-N 1 0 346.496 3.001 20 10 EGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001335032822 1390632853 /nfs/dbraw/zinc/63/28/53/1390632853.db2.gz DZQYPKFTWFXVPT-SFHVURJKSA-N 1 0 340.471 3.433 20 10 EGCDRO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc(N)cc1 ZINC001335284558 1390666187 /nfs/dbraw/zinc/66/61/87/1390666187.db2.gz DBQWCUJENILLCX-GOSISDBHSA-N 1 0 339.439 3.189 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001349388286 1391325931 /nfs/dbraw/zinc/32/59/31/1391325931.db2.gz AWGKPTCEFPPALV-UHFFFAOYSA-N 1 0 349.478 3.334 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1C ZINC001752888632 1440240328 /nfs/dbraw/zinc/24/03/28/1440240328.db2.gz FYCXDQJDJVRSKX-WBAXXEDZSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)C(C)(F)F)cc1C ZINC001752915526 1440246969 /nfs/dbraw/zinc/24/69/69/1440246969.db2.gz YNYNVNMVBMWWCF-CYBMUJFWSA-N 1 0 342.430 3.279 20 10 EGCDRO CC[C@@H](CNC(=O)[C@]1(C)C=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753481979 1440416929 /nfs/dbraw/zinc/41/69/29/1440416929.db2.gz AJFCLRDKWZVSET-FXAWDEMLSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2CC(C)(C)C2)cc1C ZINC001754117629 1440542538 /nfs/dbraw/zinc/54/25/38/1440542538.db2.gz LYHAUBAZJNIHJH-WAYWQWQTSA-N 1 0 330.472 3.202 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCc2ccccc2)cc1C ZINC001754291429 1440565334 /nfs/dbraw/zinc/56/53/34/1440565334.db2.gz KIZLCYMVIKACPF-KRWDZBQOSA-N 1 0 340.467 3.231 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)C2(F)CCCC2)C2CC2)cc1C ZINC001754445842 1440599963 /nfs/dbraw/zinc/59/99/63/1440599963.db2.gz WOEHOLJXUZLTED-QGZVFWFLSA-N 1 0 348.462 3.270 20 10 EGCDRO Cc1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000529664012 313380513 /nfs/dbraw/zinc/38/05/13/313380513.db2.gz AXJMZDQOQMWIHY-HNNXBMFYSA-N 1 0 348.805 3.388 20 10 EGCDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000290589063 456375396 /nfs/dbraw/zinc/37/53/96/456375396.db2.gz VDNNTGJIKJVSBJ-UHFFFAOYSA-N 1 0 338.249 3.182 20 10 EGCDRO COc1cccc(CN2CCO[C@@H](c3ccc(F)cc3F)C2)c1O ZINC000190131233 455281852 /nfs/dbraw/zinc/28/18/52/455281852.db2.gz LCUAKYKFGZZSOE-QGZVFWFLSA-N 1 0 335.350 3.253 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000005939806 452912958 /nfs/dbraw/zinc/91/29/58/452912958.db2.gz RGFJXFFOGJOEMG-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3F)c2)CC1 ZINC000184273672 455368166 /nfs/dbraw/zinc/36/81/66/455368166.db2.gz DPGYNMPITAAEFQ-UHFFFAOYSA-N 1 0 327.403 3.220 20 10 EGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000089636316 454170526 /nfs/dbraw/zinc/17/05/26/454170526.db2.gz PBINBYSMVIWKIE-HZPDHXFCSA-N 1 0 338.517 3.151 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132824901 454368276 /nfs/dbraw/zinc/36/82/76/454368276.db2.gz DIVOBOGTHULUJX-MSOLQXFVSA-N 1 0 345.531 3.294 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](c1ccccc1)N1CCCC1)OCO2 ZINC000063255911 454398983 /nfs/dbraw/zinc/39/89/83/454398983.db2.gz WVOMEPDPDWQDBE-KRWDZBQOSA-N 1 0 340.423 3.048 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(C(=O)OC)cc2)c1O ZINC000091829570 454477799 /nfs/dbraw/zinc/47/77/99/454477799.db2.gz XTJJMMJTOLSLCZ-UHFFFAOYSA-N 1 0 329.396 3.210 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000123659962 454662695 /nfs/dbraw/zinc/66/26/95/454662695.db2.gz DKTSDPMMEZGQQN-HNAYVOBHSA-N 1 0 344.430 3.047 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)C3CCCCC3)CC2)cc1 ZINC000163125651 454824524 /nfs/dbraw/zinc/82/45/24/454824524.db2.gz LMPVLAYONNCZAS-HXUWFJFHSA-N 1 0 332.488 3.195 20 10 EGCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(OC)c(OC)cc2O)o1 ZINC000182223995 455465759 /nfs/dbraw/zinc/46/57/59/455465759.db2.gz OBIOAGFMMQNKTJ-CQSZACIVSA-N 1 0 335.400 3.042 20 10 EGCDRO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)Cc1ccccc1O ZINC000111236488 454858937 /nfs/dbraw/zinc/85/89/37/454858937.db2.gz NXPCXEZFBRZNRD-ZDUSSCGKSA-N 1 0 332.831 3.182 20 10 EGCDRO COC[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccco1 ZINC000177576826 454879716 /nfs/dbraw/zinc/87/97/16/454879716.db2.gz TWBOUWANHKEOSU-LBPRGKRZSA-N 1 0 326.190 3.225 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000126259753 454881603 /nfs/dbraw/zinc/88/16/03/454881603.db2.gz FILKMBGKDLFTCW-LSDHHAIUSA-N 1 0 336.451 3.128 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000150769065 454890073 /nfs/dbraw/zinc/89/00/73/454890073.db2.gz JGRUQECIGVZMAB-QGZVFWFLSA-N 1 0 347.503 3.292 20 10 EGCDRO COCC[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000167909122 454924641 /nfs/dbraw/zinc/92/46/41/454924641.db2.gz ROADZGUBEOZEPU-XJKSGUPXSA-N 1 0 326.868 3.025 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000182323862 455489092 /nfs/dbraw/zinc/48/90/92/455489092.db2.gz AAUWARXJKQWTGW-KDOFPFPSSA-N 1 0 340.423 3.165 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)ccn1 ZINC000184974093 455480582 /nfs/dbraw/zinc/48/05/82/455480582.db2.gz VFIOFEIIYAUTJW-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178436682 454955112 /nfs/dbraw/zinc/95/51/12/454955112.db2.gz QIYZEOGTJMFDFV-GDBMZVCRSA-N 1 0 338.467 3.110 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(OC)c1OC ZINC000155180847 454971574 /nfs/dbraw/zinc/97/15/74/454971574.db2.gz CCBDVMYHUQBECE-UHFFFAOYSA-N 1 0 344.455 3.410 20 10 EGCDRO CO[C@@H](C)c1noc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000267075023 455497932 /nfs/dbraw/zinc/49/79/32/455497932.db2.gz WNHMGQDWHYDWQT-AWEZNQCLSA-N 1 0 332.448 3.254 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)ccc1OC ZINC000171764712 455092993 /nfs/dbraw/zinc/09/29/93/455092993.db2.gz OEHSCPSNTIFRCT-OAHLLOKOSA-N 1 0 331.460 3.163 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000179935030 455101640 /nfs/dbraw/zinc/10/16/40/455101640.db2.gz GIVVVPUPOFMRPV-UHFFFAOYSA-N 1 0 330.472 3.058 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c1 ZINC000180064465 455126336 /nfs/dbraw/zinc/12/63/36/455126336.db2.gz LUVUWIVAXAGOJK-UHFFFAOYSA-N 1 0 340.467 3.497 20 10 EGCDRO CN(C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1)C(=O)OC(C)(C)C ZINC000180075571 455127913 /nfs/dbraw/zinc/12/79/13/455127913.db2.gz CFBVOKGGQKVMIK-CYBMUJFWSA-N 1 0 338.423 3.220 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1 ZINC000130064449 455140592 /nfs/dbraw/zinc/14/05/92/455140592.db2.gz QNWIYANOYOWXSD-SOUVJXGZSA-N 1 0 340.414 3.271 20 10 EGCDRO CCN(C[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1)CC(F)(F)F ZINC000180551201 455195321 /nfs/dbraw/zinc/19/53/21/455195321.db2.gz YRCACXWATZNJES-AWEZNQCLSA-N 1 0 330.394 3.407 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccccc2O)c(-n2cc(Cl)cn2)n1 ZINC000190304561 455296409 /nfs/dbraw/zinc/29/64/09/455296409.db2.gz QUPVMIRPBRVTJE-UHFFFAOYSA-N 1 0 328.803 3.225 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1O ZINC000190306335 455296479 /nfs/dbraw/zinc/29/64/79/455296479.db2.gz KPPFSEILTOTLGE-BXUZGUMPSA-N 1 0 328.250 3.104 20 10 EGCDRO CCOC(=O)COc1ccc(CC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183613612 455312500 /nfs/dbraw/zinc/31/25/00/455312500.db2.gz OKZYOSONAUZJIM-OAHLLOKOSA-N 1 0 343.423 3.227 20 10 EGCDRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184904426 455469393 /nfs/dbraw/zinc/46/93/93/455469393.db2.gz XWIGECJQWRWLRJ-DNVCBOLYSA-N 1 0 344.430 3.255 20 10 EGCDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000160528193 455469427 /nfs/dbraw/zinc/46/94/27/455469427.db2.gz JDAQMXKTEDMYST-CYBMUJFWSA-N 1 0 346.862 3.308 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1[O-] ZINC000185054961 455492809 /nfs/dbraw/zinc/49/28/09/455492809.db2.gz OJVDHAGPDDTMRF-CQSZACIVSA-N 1 0 332.419 3.323 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1O ZINC000185207454 455521635 /nfs/dbraw/zinc/52/16/35/455521635.db2.gz OHCNXCARWDQZJE-MRXNPFEDSA-N 1 0 328.412 3.331 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000283916176 455612182 /nfs/dbraw/zinc/61/21/82/455612182.db2.gz INIXUMNBHKTITC-AWEZNQCLSA-N 1 0 333.453 3.345 20 10 EGCDRO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2F)C[C@H](C)O1 ZINC000268841064 455715529 /nfs/dbraw/zinc/71/55/29/455715529.db2.gz HTWBEPXUXMJKKR-LISAXSMJSA-N 1 0 349.494 3.012 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000192916359 455716609 /nfs/dbraw/zinc/71/66/09/455716609.db2.gz UHZSKMUYDDXARC-WMLDXEAASA-N 1 0 330.428 3.482 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000293029834 455771085 /nfs/dbraw/zinc/77/10/85/455771085.db2.gz PREWBJCPGSDRDN-IBGZPJMESA-N 1 0 325.456 3.239 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186450637 455771737 /nfs/dbraw/zinc/77/17/37/455771737.db2.gz ZVDGRQJQEXMESB-FQEVSTJZSA-N 1 0 325.408 3.422 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)OCCCO3)cc1F ZINC000293548722 455790514 /nfs/dbraw/zinc/79/05/14/455790514.db2.gz DSYCIIIZFJMJGV-UHFFFAOYSA-N 1 0 336.451 3.401 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc(F)ccc1O ZINC000293691801 455794439 /nfs/dbraw/zinc/79/44/39/455794439.db2.gz LEWRUSRSQZJOHQ-CQSZACIVSA-N 1 0 330.403 3.219 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000278240607 455794972 /nfs/dbraw/zinc/79/49/72/455794972.db2.gz LKVWFZJEURIKEE-WFASDCNBSA-N 1 0 338.423 3.409 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000293677680 455795053 /nfs/dbraw/zinc/79/50/53/455795053.db2.gz KEBFSLPLJOPQNB-INIZCTEOSA-N 1 0 347.480 3.275 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000271893201 455798624 /nfs/dbraw/zinc/79/86/24/455798624.db2.gz XPSLUTVDBXDZPH-CYBMUJFWSA-N 1 0 329.400 3.041 20 10 EGCDRO COC[C@]1(C)CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000294214039 455808901 /nfs/dbraw/zinc/80/89/01/455808901.db2.gz MVUQWOIWIFNGKS-OAHLLOKOSA-N 1 0 328.250 3.322 20 10 EGCDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294444918 455815722 /nfs/dbraw/zinc/81/57/22/455815722.db2.gz VJLXWBDXTPCHGV-TWWFPWMWSA-N 1 0 331.481 3.423 20 10 EGCDRO CCC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000294926791 455832568 /nfs/dbraw/zinc/83/25/68/455832568.db2.gz JTWMFHCMFWPKMM-FQEVSTJZSA-N 1 0 332.488 3.303 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1O ZINC000295132852 455840574 /nfs/dbraw/zinc/84/05/74/455840574.db2.gz YLBFWGGBJMGXPI-UHFFFAOYSA-N 1 0 326.318 3.495 20 10 EGCDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000269491146 455848134 /nfs/dbraw/zinc/84/81/34/455848134.db2.gz IRXLWJACTRWATQ-UHFFFAOYSA-N 1 0 326.440 3.311 20 10 EGCDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000272112582 455850504 /nfs/dbraw/zinc/85/05/04/455850504.db2.gz XZCZJQLVJAQAAL-ADLMAVQZSA-N 1 0 333.359 3.126 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1O ZINC000280091996 455889463 /nfs/dbraw/zinc/88/94/63/455889463.db2.gz MLSKQIPCXXURAF-AZUAARDMSA-N 1 0 345.439 3.492 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)c1cc(OC)ccc1OC)c1ccc(C)cc1O ZINC000280101391 455891927 /nfs/dbraw/zinc/89/19/27/455891927.db2.gz NBZWEGWVZSYJTL-HKUYNNGSSA-N 1 0 345.439 3.492 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)c1cc(OC)ccc1OC)c1ccc(C)cc1O ZINC000280101402 455892385 /nfs/dbraw/zinc/89/23/85/455892385.db2.gz NBZWEGWVZSYJTL-MJGOQNOKSA-N 1 0 345.439 3.492 20 10 EGCDRO O=C(NCc1ccc(O)c(O)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000272365264 455925996 /nfs/dbraw/zinc/92/59/96/455925996.db2.gz STSBJQSFKGIXHW-UHFFFAOYSA-N 1 0 340.423 3.014 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)[C@H](C)O1 ZINC000296451102 455942098 /nfs/dbraw/zinc/94/20/98/455942098.db2.gz OENPLBJHWBPQPL-PYOGLGTISA-N 1 0 336.451 3.095 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc(Br)ccc1O ZINC000287292221 456065678 /nfs/dbraw/zinc/06/56/78/456065678.db2.gz DGAGPKBICWCJSJ-WOPDTQHZSA-N 1 0 328.250 3.478 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000287391738 456067984 /nfs/dbraw/zinc/06/79/84/456067984.db2.gz QENYYTOYHLWKIX-OAHLLOKOSA-N 1 0 338.467 3.254 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(Br)cc1O ZINC000287387536 456068613 /nfs/dbraw/zinc/06/86/13/456068613.db2.gz INYVFXJVRDIYFN-SRVKXCTJSA-N 1 0 328.250 3.478 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccccc1O ZINC000287518109 456071020 /nfs/dbraw/zinc/07/10/20/456071020.db2.gz ZOBIVNZYCABVDL-CABCVRRESA-N 1 0 328.412 3.053 20 10 EGCDRO COCCN(Cc1ccccn1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000287558473 456071999 /nfs/dbraw/zinc/07/19/99/456071999.db2.gz WTTSNVWVUFSOJO-UHFFFAOYSA-N 1 0 348.830 3.292 20 10 EGCDRO C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4cccc(O)c43)nc2)C1 ZINC000296967082 456077863 /nfs/dbraw/zinc/07/78/63/456077863.db2.gz RJULCPAYOGLGQA-DLBZAZTESA-N 1 0 338.455 3.027 20 10 EGCDRO CC[N@H+](Cc1c(C)nc2sc(C)nn12)Cc1ccc(N(C)C)cc1 ZINC000270979638 456085431 /nfs/dbraw/zinc/08/54/31/456085431.db2.gz CDBRRQVGLLZRTC-UHFFFAOYSA-N 1 0 343.500 3.496 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)cc1 ZINC000225571960 456094945 /nfs/dbraw/zinc/09/49/45/456094945.db2.gz IIDNFWHCEWLXBW-UHFFFAOYSA-N 1 0 345.516 3.015 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1O ZINC000288443692 456095562 /nfs/dbraw/zinc/09/55/62/456095562.db2.gz MFKIIMWBIIIEGA-CRAIPNDOSA-N 1 0 326.440 3.153 20 10 EGCDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000288677423 456102976 /nfs/dbraw/zinc/10/29/76/456102976.db2.gz CNEREMKVGIVVAZ-KRWDZBQOSA-N 1 0 325.836 3.233 20 10 EGCDRO CN(C)c1ncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000271031925 456105235 /nfs/dbraw/zinc/10/52/35/456105235.db2.gz YWYLQNAEMUONRC-OAHLLOKOSA-N 1 0 347.484 3.096 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccncc1 ZINC000271064431 456116711 /nfs/dbraw/zinc/11/67/11/456116711.db2.gz IHSARWBRZCJVBX-MRXNPFEDSA-N 1 0 325.456 3.141 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccncc1 ZINC000271094076 456123531 /nfs/dbraw/zinc/12/35/31/456123531.db2.gz XUBLGPYPNKAKGA-AWEZNQCLSA-N 1 0 329.419 3.033 20 10 EGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccc(F)cc2)c1O ZINC000289421999 456124824 /nfs/dbraw/zinc/12/48/24/456124824.db2.gz JGWSOQQACAGGMH-UHFFFAOYSA-N 1 0 332.419 3.104 20 10 EGCDRO COCCOCC[N@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC000271164684 456148894 /nfs/dbraw/zinc/14/88/94/456148894.db2.gz AVKLSIHDZMSBSL-UHFFFAOYSA-N 1 0 345.439 3.066 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1nnc2n1CCC2 ZINC000263680529 456191280 /nfs/dbraw/zinc/19/12/80/456191280.db2.gz MKCSHQGMCOLBDY-CQSZACIVSA-N 1 0 334.423 3.448 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189004790 456195354 /nfs/dbraw/zinc/19/53/54/456195354.db2.gz WIKMUYKEAPFEJX-UHFFFAOYSA-N 1 0 338.430 3.426 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(OC)nc1OC)c1ccc(N(C)C)cc1 ZINC000290019085 456217356 /nfs/dbraw/zinc/21/73/56/456217356.db2.gz CFGAZKWGFXZQHL-KRWDZBQOSA-N 1 0 329.444 3.406 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c(O)c1C ZINC000273411810 456229186 /nfs/dbraw/zinc/22/91/86/456229186.db2.gz PUPUVKLNDJJXCO-OAHLLOKOSA-N 1 0 328.460 3.220 20 10 EGCDRO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2)c1 ZINC000273612619 456240877 /nfs/dbraw/zinc/24/08/77/456240877.db2.gz WQHGXBNROQEIGC-LSDHHAIUSA-N 1 0 342.439 3.339 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000273736243 456244003 /nfs/dbraw/zinc/24/40/03/456244003.db2.gz LDXHOBDOCMUEHS-QLJPJBMISA-N 1 0 339.794 3.405 20 10 EGCDRO CCNC(=O)COc1cccc(C[NH2+][C@H](CC)c2ccccc2O)c1 ZINC000274858678 456266230 /nfs/dbraw/zinc/26/62/30/456266230.db2.gz CKVPTMPNZQWJFD-GOSISDBHSA-N 1 0 342.439 3.148 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275611622 456277492 /nfs/dbraw/zinc/27/74/92/456277492.db2.gz IHURNASTSAOVEX-UHFFFAOYSA-N 1 0 327.428 3.160 20 10 EGCDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cnn1C(C)C ZINC000276395858 456467376 /nfs/dbraw/zinc/46/73/76/456467376.db2.gz RZWQTERCHWPMRO-INIZCTEOSA-N 1 0 342.487 3.460 20 10 EGCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)Cc2ccccc2O)C1 ZINC000298678187 456514525 /nfs/dbraw/zinc/51/45/25/456514525.db2.gz QHSQWVADLCQRNT-IAGOWNOFSA-N 1 0 347.503 3.292 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276721610 456561642 /nfs/dbraw/zinc/56/16/42/456561642.db2.gz DIECXOWCSCEDDT-UHFFFAOYSA-N 1 0 347.503 3.436 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c1 ZINC000282731758 456606282 /nfs/dbraw/zinc/60/62/82/456606282.db2.gz MOYGAHFHZXWXAP-MRXNPFEDSA-N 1 0 347.480 3.009 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1O ZINC000291644925 456707186 /nfs/dbraw/zinc/70/71/86/456707186.db2.gz CAUVUOLDDWWRBS-OAHLLOKOSA-N 1 0 330.403 3.299 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC000365821712 457778022 /nfs/dbraw/zinc/77/80/22/457778022.db2.gz QWUZGJNROPAGCG-UHFFFAOYSA-N 1 0 342.458 3.461 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1F ZINC000369655440 458304590 /nfs/dbraw/zinc/30/45/90/458304590.db2.gz OKRVQUOSHZXEOX-UHFFFAOYSA-N 1 0 347.478 3.116 20 10 EGCDRO Cc1ccc(CN2C[C@@H]([NH3+])Cc3ccccc32)c(-c2cnn(C)c2)c1 ZINC000415142070 458327325 /nfs/dbraw/zinc/32/73/25/458327325.db2.gz YBWQTXBCPUJNQU-IBGZPJMESA-N 1 0 332.451 3.286 20 10 EGCDRO COc1cc(O)c(C[NH2+]C2CCC3(CCOCC3)CC2)cc1OC ZINC000373177423 458419223 /nfs/dbraw/zinc/41/92/23/458419223.db2.gz IZGPIUZSHMJPFS-UHFFFAOYSA-N 1 0 335.444 3.238 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@H](OC)c2cccc(OC)c2)c(O)c1 ZINC000527734408 459718824 /nfs/dbraw/zinc/71/88/24/459718824.db2.gz GZKISFOFZCSWPP-IBGZPJMESA-N 1 0 331.412 3.277 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2c(C)nc3ccccc32)c1 ZINC000120652385 524764399 /nfs/dbraw/zinc/76/43/99/524764399.db2.gz TXOSBKFLUQBBSO-CYBMUJFWSA-N 1 0 325.412 3.410 20 10 EGCDRO CC(C)(C)OC(=O)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000727429009 574667154 /nfs/dbraw/zinc/66/71/54/574667154.db2.gz VZTYCTMDNATCAE-UHFFFAOYSA-N 1 0 342.439 3.494 20 10 EGCDRO Cc1cc(C(=O)CN2CCCO[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000727438221 574667344 /nfs/dbraw/zinc/66/73/44/574667344.db2.gz ZVMFEINXBOIIKM-MRXNPFEDSA-N 1 0 326.440 3.388 20 10 EGCDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000729542499 574869999 /nfs/dbraw/zinc/86/99/99/574869999.db2.gz IZCIYBAGPVHXDW-IBGZPJMESA-N 1 0 331.504 3.222 20 10 EGCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000730282311 574965884 /nfs/dbraw/zinc/96/58/84/574965884.db2.gz DSIHBXFNISJWSF-UHFFFAOYSA-N 1 0 331.504 3.414 20 10 EGCDRO CCC[NH+]1CCC(NC(=O)NCc2ccc(N(CC)CC)cc2)CC1 ZINC000730578197 575002947 /nfs/dbraw/zinc/00/29/47/575002947.db2.gz NFONLMBZPJIVCM-UHFFFAOYSA-N 1 0 346.519 3.206 20 10 EGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732821008 575289884 /nfs/dbraw/zinc/28/98/84/575289884.db2.gz SSTCBTQUMHJALY-DNVCBOLYSA-N 1 0 349.475 3.472 20 10 EGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1 ZINC000733327951 575328178 /nfs/dbraw/zinc/32/81/78/575328178.db2.gz MZMCKBQFYBHSRN-GOSISDBHSA-N 1 0 333.432 3.101 20 10 EGCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(C(C)(C)C)cc(O)c1O)CC2 ZINC000733791640 575390012 /nfs/dbraw/zinc/39/00/12/575390012.db2.gz ALVZXCXCMFEZDZ-OAHLLOKOSA-N 1 0 347.455 3.170 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000734518276 575499048 /nfs/dbraw/zinc/49/90/48/575499048.db2.gz UMVJGHZIDBRCTN-UHFFFAOYSA-N 1 0 340.471 3.444 20 10 EGCDRO COC[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000739920199 576520018 /nfs/dbraw/zinc/52/00/18/576520018.db2.gz KLSALRSYEPMWMO-KRWDZBQOSA-N 1 0 326.440 3.245 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000741754886 576717440 /nfs/dbraw/zinc/71/74/40/576717440.db2.gz ZVSDJGZQQHHCKD-DBXWQHBBSA-N 1 0 345.531 3.216 20 10 EGCDRO CC[C@@]1(C)CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743860762 576817250 /nfs/dbraw/zinc/81/72/50/576817250.db2.gz TZZXPIXEBPLQLP-FQEVSTJZSA-N 1 0 331.504 3.223 20 10 EGCDRO CCOC(=O)CCC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743872842 576817997 /nfs/dbraw/zinc/81/79/97/576817997.db2.gz BTJFZCQUHJZMSJ-UHFFFAOYSA-N 1 0 344.249 3.320 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000744382739 576826786 /nfs/dbraw/zinc/82/67/86/576826786.db2.gz BNJGCMCSHAMZEN-UHFFFAOYSA-N 1 0 329.444 3.117 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2c(C)noc2C)cc1Cn1cccn1 ZINC000873049670 1297246354 /nfs/dbraw/zinc/24/63/54/1297246354.db2.gz JZTGNFBWBMGFPJ-ZDUSSCGKSA-N 1 0 340.427 3.396 20 10 EGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccccc3F)SC2=S)CC1 ZINC000063824218 1292025362 /nfs/dbraw/zinc/02/53/62/1292025362.db2.gz ILPWYCOOPRJQSO-UVTDQMKNSA-N 1 0 336.457 3.121 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1)C1CCCCC1 ZINC000827820750 1292381608 /nfs/dbraw/zinc/38/16/08/1292381608.db2.gz CRSSNKLJNLIJHX-TZIWHRDSSA-N 1 0 341.499 3.071 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000079279293 1292552186 /nfs/dbraw/zinc/55/21/86/1292552186.db2.gz JEMKNPMPXFMKRF-UHFFFAOYSA-N 1 0 333.476 3.188 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC000093661004 1292928505 /nfs/dbraw/zinc/92/85/05/1292928505.db2.gz YKDPTPYELMUYFU-TXEJJXNPSA-N 1 0 326.234 3.251 20 10 EGCDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000832273307 1292979421 /nfs/dbraw/zinc/97/94/21/1292979421.db2.gz NFFZQKDMGZMYFF-KUHUBIRLSA-N 1 0 343.446 3.202 20 10 EGCDRO C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832283755 1292982133 /nfs/dbraw/zinc/98/21/33/1292982133.db2.gz BAGWQMVXLDLGNB-HNAYVOBHSA-N 1 0 325.456 3.062 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000108327937 1293078379 /nfs/dbraw/zinc/07/83/79/1293078379.db2.gz QWMQHDWOXZHTDG-INIZCTEOSA-N 1 0 343.446 3.305 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]CC1(N3CCOCC3)CCCCC1)CC2 ZINC000834487821 1293104197 /nfs/dbraw/zinc/10/41/97/1293104197.db2.gz NGIQKUFRHXZMSB-QGZVFWFLSA-N 1 0 330.472 3.004 20 10 EGCDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1c1ccc(Cl)cc1 ZINC000834662654 1293129452 /nfs/dbraw/zinc/12/94/52/1293129452.db2.gz BHGIIMGMYCOZAP-CVEARBPZSA-N 1 0 342.826 3.428 20 10 EGCDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1c1ccc(Cl)cc1 ZINC000834662660 1293129823 /nfs/dbraw/zinc/12/98/23/1293129823.db2.gz BHGIIMGMYCOZAP-JKSUJKDBSA-N 1 0 342.826 3.428 20 10 EGCDRO Cn1c(CC[NH2+]Cc2c(O)cccc2Cl)nc2c1cccc2F ZINC000113358994 1293147845 /nfs/dbraw/zinc/14/78/45/1293147845.db2.gz FLRNRFNCLWJGGP-UHFFFAOYSA-N 1 0 333.794 3.404 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc2ccccc2c1O ZINC000834851262 1293157928 /nfs/dbraw/zinc/15/79/28/1293157928.db2.gz WANUTPKDJVZUCV-RDJZCZTQSA-N 1 0 328.456 3.043 20 10 EGCDRO C[C@@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCC(=O)N1 ZINC000834910510 1293174004 /nfs/dbraw/zinc/17/40/04/1293174004.db2.gz XANRGNLJDUSSLM-NQIIRXRSSA-N 1 0 338.451 3.324 20 10 EGCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834912606 1293175411 /nfs/dbraw/zinc/17/54/11/1293175411.db2.gz SQKMMZUWOUUDKE-GMXABZIVSA-N 1 0 343.402 3.400 20 10 EGCDRO O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C[C@@H]2CCCCN12 ZINC000835074657 1293200654 /nfs/dbraw/zinc/20/06/54/1293200654.db2.gz SMBCFUOVNWBYHG-OALUTQOASA-N 1 0 336.435 3.302 20 10 EGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000116360438 1293204953 /nfs/dbraw/zinc/20/49/53/1293204953.db2.gz FNBLICUSXZAXGY-UHFFFAOYSA-N 1 0 328.431 3.303 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000129151865 1293615656 /nfs/dbraw/zinc/61/56/56/1293615656.db2.gz SFNAUALDAJAHET-CXAGYDPISA-N 1 0 336.863 3.164 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c1 ZINC000129493971 1293626379 /nfs/dbraw/zinc/62/63/79/1293626379.db2.gz IMMZRQREDKRZSJ-UHFFFAOYSA-N 1 0 348.487 3.356 20 10 EGCDRO CCOCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000131509649 1293691987 /nfs/dbraw/zinc/69/19/87/1293691987.db2.gz XSTFPKKZEGKUEW-AWEZNQCLSA-N 1 0 326.868 3.254 20 10 EGCDRO C[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000133081975 1293736163 /nfs/dbraw/zinc/73/61/63/1293736163.db2.gz GSQUDDPQPSSUPO-INIZCTEOSA-N 1 0 344.430 3.392 20 10 EGCDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000133879296 1293756442 /nfs/dbraw/zinc/75/64/42/1293756442.db2.gz IIGUEURRPVAHNK-INIZCTEOSA-N 1 0 329.419 3.057 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000152034743 1293950763 /nfs/dbraw/zinc/95/07/63/1293950763.db2.gz HMEFGQNGHDYZIQ-JKSUJKDBSA-N 1 0 346.471 3.207 20 10 EGCDRO CCCCNC(=O)C1([NH2+]Cc2cccc(OCC)c2O)CCCCC1 ZINC000154632434 1294064125 /nfs/dbraw/zinc/06/41/25/1294064125.db2.gz NEEKCRLJKNTBAJ-UHFFFAOYSA-N 1 0 348.487 3.500 20 10 EGCDRO C[N@H+](CCOc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000154739056 1294067887 /nfs/dbraw/zinc/06/78/87/1294067887.db2.gz YAZBKHJQPHHOPM-UHFFFAOYSA-N 1 0 344.430 3.173 20 10 EGCDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000155305369 1294092719 /nfs/dbraw/zinc/09/27/19/1294092719.db2.gz WLNZKNSYZKCEBP-GJZGRUSLSA-N 1 0 340.471 3.342 20 10 EGCDRO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000155614682 1294107100 /nfs/dbraw/zinc/10/71/00/1294107100.db2.gz YJFGBQYOFCLUNX-MRXNPFEDSA-N 1 0 348.487 3.296 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000157090116 1294168670 /nfs/dbraw/zinc/16/86/70/1294168670.db2.gz NXKADTOAEWSRQP-IBGZPJMESA-N 1 0 337.467 3.020 20 10 EGCDRO CC[C@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000157850411 1294188891 /nfs/dbraw/zinc/18/88/91/1294188891.db2.gz FMYFDHCSRAPFHH-FQEVSTJZSA-N 1 0 339.483 3.396 20 10 EGCDRO COc1cc(O)c(CN2CC[NH+](C3CCC(C)CC3)CC2)cc1OC ZINC000160206266 1294261898 /nfs/dbraw/zinc/26/18/98/1294261898.db2.gz JLWDYNXGBDCNRO-UHFFFAOYSA-N 1 0 348.487 3.106 20 10 EGCDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164274415 1294346266 /nfs/dbraw/zinc/34/62/66/1294346266.db2.gz VQXWLEQBPXRYHN-INIZCTEOSA-N 1 0 332.488 3.368 20 10 EGCDRO COc1cc(C[NH+]2CCC(OC(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000164603173 1294351295 /nfs/dbraw/zinc/35/12/95/1294351295.db2.gz DCSFKRIJKAKELW-UHFFFAOYSA-N 1 0 335.444 3.226 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)c2cccs2)ccc1OC ZINC000172674960 1294441347 /nfs/dbraw/zinc/44/13/47/1294441347.db2.gz SASVJQYDNALXEJ-GOSISDBHSA-N 1 0 335.469 3.291 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000172934549 1294449837 /nfs/dbraw/zinc/44/98/37/1294449837.db2.gz QTVJCOMCBOHZPS-KRWDZBQOSA-N 1 0 346.515 3.152 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)cc2OC)c1 ZINC000179617754 1294808771 /nfs/dbraw/zinc/80/87/71/1294808771.db2.gz MUCRESNJGXIQJY-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179641394 1294809755 /nfs/dbraw/zinc/80/97/55/1294809755.db2.gz FIPBRWOXFUNFBV-HNNXBMFYSA-N 1 0 339.277 3.215 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1 ZINC000179635332 1294809895 /nfs/dbraw/zinc/80/98/95/1294809895.db2.gz VVQSACLRKUTYNM-MRXNPFEDSA-N 1 0 329.396 3.063 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1C ZINC000180219315 1294869488 /nfs/dbraw/zinc/86/94/88/1294869488.db2.gz VMXSQVUQLNCGQH-CQSZACIVSA-N 1 0 346.377 3.182 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1O ZINC000182119298 1295021959 /nfs/dbraw/zinc/02/19/59/1295021959.db2.gz TWDWZZDIJNMEJB-MRXNPFEDSA-N 1 0 325.330 3.240 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000182467091 1295050533 /nfs/dbraw/zinc/05/05/33/1295050533.db2.gz YUPZNPIGRMHXMR-JTQLQIEISA-N 1 0 333.359 3.299 20 10 EGCDRO C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1O ZINC000183453789 1295121065 /nfs/dbraw/zinc/12/10/65/1295121065.db2.gz AAEPAIUYQKOACG-HNAYVOBHSA-N 1 0 344.430 3.255 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000185188212 1295246549 /nfs/dbraw/zinc/24/65/49/1295246549.db2.gz RLTOOALJIVURTL-HNNXBMFYSA-N 1 0 342.439 3.088 20 10 EGCDRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000186027968 1295299688 /nfs/dbraw/zinc/29/96/88/1295299688.db2.gz IPABVTAAYQLBFW-CYBMUJFWSA-N 1 0 339.501 3.135 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)c1 ZINC000186149015 1295306984 /nfs/dbraw/zinc/30/69/84/1295306984.db2.gz QWUWHUPLODKRQX-CYBMUJFWSA-N 1 0 339.395 3.344 20 10 EGCDRO O[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC[C@@H](C(F)(F)F)C1 ZINC000189626422 1295534949 /nfs/dbraw/zinc/53/49/49/1295534949.db2.gz WORQFYGHHDKWRA-GDBMZVCRSA-N 1 0 329.362 3.195 20 10 EGCDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000189965013 1295554999 /nfs/dbraw/zinc/55/49/99/1295554999.db2.gz BJIIRWZTWPLQBN-RBUKOAKNSA-N 1 0 327.424 3.220 20 10 EGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000195198824 1296045957 /nfs/dbraw/zinc/04/59/57/1296045957.db2.gz YNGMNILVJNEPEH-FQEVSTJZSA-N 1 0 332.488 3.304 20 10 EGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000195196768 1296046232 /nfs/dbraw/zinc/04/62/32/1296046232.db2.gz UYNFGEUINSIFTD-IBGZPJMESA-N 1 0 335.444 3.202 20 10 EGCDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1cccc(Cl)c1 ZINC000195239221 1296049294 /nfs/dbraw/zinc/04/92/94/1296049294.db2.gz LRPNBJIEBBRLJC-GASCZTMLSA-N 1 0 343.858 3.039 20 10 EGCDRO CC[C@@H]([NH2+]CCc1ccn(C)n1)c1cc(Br)ccc1O ZINC000229578655 1296155863 /nfs/dbraw/zinc/15/58/63/1296155863.db2.gz STHDRVRODUZVQT-CQSZACIVSA-N 1 0 338.249 3.172 20 10 EGCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000245551809 1296313347 /nfs/dbraw/zinc/31/33/47/1296313347.db2.gz BYLODJXWATVPLP-CKEIUWERSA-N 1 0 338.879 3.119 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)[C@H]1Oc1ccccc1 ZINC000249452897 1296444410 /nfs/dbraw/zinc/44/44/10/1296444410.db2.gz OYATZEJIVHUBHA-QWFCFKBJSA-N 1 0 327.424 3.415 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Br)ccc1O ZINC000253151455 1296463273 /nfs/dbraw/zinc/46/32/73/1296463273.db2.gz HIZWJDZPKYNJNT-YRGRVCCFSA-N 1 0 328.250 3.499 20 10 EGCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000305069813 1296965788 /nfs/dbraw/zinc/96/57/88/1296965788.db2.gz KUYOBFDVXJMQBD-IFXJQAMLSA-N 1 0 344.455 3.154 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccc(N2CCOCC2)cc1 ZINC000305674056 1297021350 /nfs/dbraw/zinc/02/13/50/1297021350.db2.gz YOECRAGEJVYVQV-SJORKVTESA-N 1 0 340.467 3.427 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(CO)c1 ZINC000305674053 1297021846 /nfs/dbraw/zinc/02/18/46/1297021846.db2.gz YOECRAGEJVYVQV-DLBZAZTESA-N 1 0 340.467 3.427 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1O ZINC000320961056 1297173277 /nfs/dbraw/zinc/17/32/77/1297173277.db2.gz VZLXEZCACCGSPF-MRXNPFEDSA-N 1 0 336.863 3.308 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1C ZINC000873122704 1297281991 /nfs/dbraw/zinc/28/19/91/1297281991.db2.gz UUDKKNMUWAWZSI-UYAOXDASSA-N 1 0 347.499 3.441 20 10 EGCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000389790371 1297611463 /nfs/dbraw/zinc/61/14/63/1297611463.db2.gz LKMCFATWQKPYTM-YOEHRIQHSA-N 1 0 346.471 3.357 20 10 EGCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000395835468 1297686439 /nfs/dbraw/zinc/68/64/39/1297686439.db2.gz BZJJRSSHFSTLTD-OAHLLOKOSA-N 1 0 335.492 3.488 20 10 EGCDRO CN(C)[C@H](C[NH2+]Cc1c(O)cccc1Br)c1ccco1 ZINC000706821314 1298224735 /nfs/dbraw/zinc/22/47/35/1298224735.db2.gz CFRISTWBIVTHCG-CYBMUJFWSA-N 1 0 339.233 3.140 20 10 EGCDRO CC(C)[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCCO1 ZINC000707161963 1298225398 /nfs/dbraw/zinc/22/53/98/1298225398.db2.gz WGIQJFNGGITWGN-HNNXBMFYSA-N 1 0 328.250 3.402 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cc(Br)ccc1O ZINC000715003683 1298277351 /nfs/dbraw/zinc/27/73/51/1298277351.db2.gz ZMGPDJOPWYAJBR-ZDUSSCGKSA-N 1 0 337.217 3.496 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1O ZINC000725847200 1298373458 /nfs/dbraw/zinc/37/34/58/1298373458.db2.gz VNHXIPLSFZHWHI-CYBMUJFWSA-N 1 0 333.350 3.334 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000725852198 1298376287 /nfs/dbraw/zinc/37/62/87/1298376287.db2.gz USRNARDVTBZHTP-HNNXBMFYSA-N 1 0 339.439 3.109 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000725887679 1298381107 /nfs/dbraw/zinc/38/11/07/1298381107.db2.gz REFHCDBCNUERFE-ULQDDVLXSA-N 1 0 331.504 3.410 20 10 EGCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccccc3)CC2)cc1 ZINC000746049256 1298519135 /nfs/dbraw/zinc/51/91/35/1298519135.db2.gz NIPWCPQVKKAQJV-SFHVURJKSA-N 1 0 339.483 3.168 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c(O)c1 ZINC000876568473 1298833954 /nfs/dbraw/zinc/83/39/54/1298833954.db2.gz ICGFZFLXUTZAFH-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000876654815 1298900225 /nfs/dbraw/zinc/90/02/25/1298900225.db2.gz QBHJUXQPBSHTBQ-INIZCTEOSA-N 1 0 343.402 3.236 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1 ZINC000876736197 1298945862 /nfs/dbraw/zinc/94/58/62/1298945862.db2.gz TXVKHLXFGJRPRP-ZBFHGGJFSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1 ZINC000876736195 1298945918 /nfs/dbraw/zinc/94/59/18/1298945918.db2.gz TXVKHLXFGJRPRP-GOEBONIOSA-N 1 0 334.460 3.436 20 10 EGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876761124 1298965283 /nfs/dbraw/zinc/96/52/83/1298965283.db2.gz YSYMPOYKVKHYRI-PMACEKPBSA-N 1 0 346.515 3.283 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000876775829 1298978111 /nfs/dbraw/zinc/97/81/11/1298978111.db2.gz AFJGSFNLKANHFP-UHFFFAOYSA-N 1 0 338.407 3.216 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c(O)c1 ZINC000876811904 1299004546 /nfs/dbraw/zinc/00/45/46/1299004546.db2.gz IEPKDWJEGALFDE-QUCCMNQESA-N 1 0 327.424 3.025 20 10 EGCDRO Cc1cccc(O)c1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000876836130 1299024435 /nfs/dbraw/zinc/02/44/35/1299024435.db2.gz ODWSRPSXYLFFER-UHFFFAOYSA-N 1 0 326.440 3.269 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCCOC3CCCCC3)cc2)CC1 ZINC000876900345 1299058024 /nfs/dbraw/zinc/05/80/24/1299058024.db2.gz HTBXGAKRDGDKCA-UHFFFAOYSA-N 1 0 346.515 3.477 20 10 EGCDRO CSCC[C@H]([NH2+]Cc1ccc(C)cc1O)c1nnc2ccccn21 ZINC000876904243 1299059909 /nfs/dbraw/zinc/05/99/09/1299059909.db2.gz WYKNNEGPQKPSGB-HNNXBMFYSA-N 1 0 342.468 3.327 20 10 EGCDRO COc1cc(OC)c(CC[NH2+]Cc2c(C)cccc2O)c(OC)c1 ZINC000877027510 1299119780 /nfs/dbraw/zinc/11/97/80/1299119780.db2.gz PDDAKSGBOKZGMT-UHFFFAOYSA-N 1 0 331.412 3.059 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)cc1F ZINC000877028166 1299119793 /nfs/dbraw/zinc/11/97/93/1299119793.db2.gz ZKIXGFSHVZYYRL-ZBFHGGJFSA-N 1 0 335.467 3.209 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749350842 1299198253 /nfs/dbraw/zinc/19/82/53/1299198253.db2.gz IVSHQWITOQHWBH-SFHVURJKSA-N 1 0 339.483 3.392 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CCC([C@H]4CCCO4)CC3)cc2)CC1 ZINC000877463161 1299317711 /nfs/dbraw/zinc/31/77/11/1299317711.db2.gz CEIGQJIBZCVCRX-OAQYLSRUSA-N 1 0 344.499 3.039 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(OC)cc(F)cc2OC)c1 ZINC000877533312 1299373859 /nfs/dbraw/zinc/37/38/59/1299373859.db2.gz MJHAHORUCIYFHU-LLVKDONJSA-N 1 0 335.375 3.408 20 10 EGCDRO CO[C@@](C)(C[NH2+]Cc1ccc(C)cc1O)COCc1ccccc1 ZINC000877623883 1299439593 /nfs/dbraw/zinc/43/95/93/1299439593.db2.gz CTBQRNMBHIZUCN-FQEVSTJZSA-N 1 0 329.440 3.412 20 10 EGCDRO Fc1cc(C[NH+]2CC(c3ccccc3)C2)ccc1N1CCOCC1 ZINC000877666158 1299466231 /nfs/dbraw/zinc/46/62/31/1299466231.db2.gz YJYGCTONGFWDPA-UHFFFAOYSA-N 1 0 326.415 3.262 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccsc1 ZINC000751532953 1299564046 /nfs/dbraw/zinc/56/40/46/1299564046.db2.gz IFDVTJZMTXXXKB-OAHLLOKOSA-N 1 0 348.468 3.281 20 10 EGCDRO Cc1ccccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000877897570 1299627241 /nfs/dbraw/zinc/62/72/41/1299627241.db2.gz LWPORARQMHVPNU-UHFFFAOYSA-N 1 0 338.455 3.069 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(O)c(C(C)(C)C)c1 ZINC000751932434 1299656924 /nfs/dbraw/zinc/65/69/24/1299656924.db2.gz JLDLMYIOMCFADZ-UHFFFAOYSA-N 1 0 330.472 3.100 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCO[C@H]1C ZINC000878154605 1299782258 /nfs/dbraw/zinc/78/22/58/1299782258.db2.gz ZPCYCCLWFLEVRJ-NWDGAFQWSA-N 1 0 328.250 3.402 20 10 EGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000753982834 1300057728 /nfs/dbraw/zinc/05/77/28/1300057728.db2.gz PNDLCCVVXIQYSD-HNNXBMFYSA-N 1 0 349.544 3.023 20 10 EGCDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756355665 1300474338 /nfs/dbraw/zinc/47/43/38/1300474338.db2.gz QQKOHZUTQBEGMM-IIAWOOMASA-N 1 0 336.451 3.026 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000756430974 1300488080 /nfs/dbraw/zinc/48/80/80/1300488080.db2.gz ALEXIJXXWLSWDH-OAHLLOKOSA-N 1 0 330.428 3.280 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c(O)c1 ZINC000756482303 1300503755 /nfs/dbraw/zinc/50/37/55/1300503755.db2.gz ZTKNKRNCZDPNTL-ZDUSSCGKSA-N 1 0 332.831 3.435 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1cc2c(cc1O)CCCC2 ZINC000756538831 1300516987 /nfs/dbraw/zinc/51/69/87/1300516987.db2.gz GGKDMUSNRGMMAV-OAHLLOKOSA-N 1 0 332.488 3.032 20 10 EGCDRO COc1cccc([C@H](O)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756564271 1300523071 /nfs/dbraw/zinc/52/30/71/1300523071.db2.gz RSGRLCZZJCGILA-XNJJOIOASA-N 1 0 331.387 3.411 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cc(Cl)ccc1O ZINC000756571792 1300524257 /nfs/dbraw/zinc/52/42/57/1300524257.db2.gz FOIRYDHZTIYTLP-BBRMVZONSA-N 1 0 338.879 3.340 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CCCCC2)c2c1c(F)ccc2O ZINC000756635829 1300537570 /nfs/dbraw/zinc/53/75/70/1300537570.db2.gz AWJINWYCKRYEGE-WFASDCNBSA-N 1 0 334.435 3.460 20 10 EGCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cc(Br)ccc1O ZINC000756648790 1300540206 /nfs/dbraw/zinc/54/02/06/1300540206.db2.gz YTZBPUSPIMMFJI-PGUXBMHVSA-N 1 0 339.277 3.288 20 10 EGCDRO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1C ZINC000879648646 1300649196 /nfs/dbraw/zinc/64/91/96/1300649196.db2.gz XMJLZXZOCHNQED-DGCLKSJQSA-N 1 0 328.412 3.462 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC[C@@H](C)c1ccccc1 ZINC000879648747 1300649436 /nfs/dbraw/zinc/64/94/36/1300649436.db2.gz CDHUZTYJTCEWIO-BZUAXINKSA-N 1 0 326.440 3.351 20 10 EGCDRO CSc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879649018 1300650262 /nfs/dbraw/zinc/65/02/62/1300650262.db2.gz HPPUKEADRJXGMP-KGLIPLIRSA-N 1 0 333.453 3.205 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1C ZINC000758525619 1300902990 /nfs/dbraw/zinc/90/29/90/1300902990.db2.gz WQFNUVTXWZNERW-ICSRJNTNSA-N 1 0 329.415 3.404 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cnc2ccccn12)C[C@H]1CCCO1 ZINC000759349288 1301069871 /nfs/dbraw/zinc/06/98/71/1301069871.db2.gz YLSXGLQFIQXRJT-GOSISDBHSA-N 1 0 337.423 3.221 20 10 EGCDRO COc1coc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1=O ZINC000760844160 1301350707 /nfs/dbraw/zinc/35/07/07/1301350707.db2.gz JOCVVGGQSRVAAW-UHFFFAOYSA-N 1 0 329.396 3.299 20 10 EGCDRO OC[C@@H](CC(F)F)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000763522179 1301919820 /nfs/dbraw/zinc/91/98/20/1301919820.db2.gz RKIANTZRFMDTKR-OAHLLOKOSA-N 1 0 337.366 3.077 20 10 EGCDRO Cc1noc(CCC[N@H+](Cc2ccco2)Cc2ccccc2O)n1 ZINC000763544709 1301922207 /nfs/dbraw/zinc/92/22/07/1301922207.db2.gz SKPGFIXKKRHUAI-UHFFFAOYSA-N 1 0 327.384 3.312 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000763559567 1301924141 /nfs/dbraw/zinc/92/41/41/1301924141.db2.gz UGAZMEUJPSLABE-KUHUBIRLSA-N 1 0 333.472 3.099 20 10 EGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCCC1 ZINC000765247719 1302226631 /nfs/dbraw/zinc/22/66/31/1302226631.db2.gz CGHIPRQUANKYOY-IAGOWNOFSA-N 1 0 349.494 3.187 20 10 EGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)C1 ZINC000765246030 1302227015 /nfs/dbraw/zinc/22/70/15/1302227015.db2.gz RIDFQACDRNAQJV-WIYYLYMNSA-N 1 0 349.478 3.165 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765286613 1302237709 /nfs/dbraw/zinc/23/77/09/1302237709.db2.gz FBBKKCMLIRUUAC-ICSRJNTNSA-N 1 0 346.446 3.372 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000765501859 1302274475 /nfs/dbraw/zinc/27/44/75/1302274475.db2.gz FFBHGKYGZMIKNB-HIFRSBDPSA-N 1 0 329.410 3.430 20 10 EGCDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000765733729 1302314762 /nfs/dbraw/zinc/31/47/62/1302314762.db2.gz QUHKCJZYRYBBPH-MOPGFXCFSA-N 1 0 345.531 3.438 20 10 EGCDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765949780 1302356478 /nfs/dbraw/zinc/35/64/78/1302356478.db2.gz CVNPAXSREMJNOO-RDTXWAMCSA-N 1 0 340.895 3.234 20 10 EGCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765994651 1302364245 /nfs/dbraw/zinc/36/42/45/1302364245.db2.gz QLXLEOJTGQWLRD-WOSRLPQWSA-N 1 0 326.868 3.023 20 10 EGCDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766489279 1302462006 /nfs/dbraw/zinc/46/20/06/1302462006.db2.gz NYSHNHZNZYVISU-HZPDHXFCSA-N 1 0 343.446 3.339 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000766604532 1302486058 /nfs/dbraw/zinc/48/60/58/1302486058.db2.gz KFJPCJQHKUHJJQ-PWIZWCRZSA-N 1 0 331.504 3.047 20 10 EGCDRO COc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1O ZINC000768185545 1302849490 /nfs/dbraw/zinc/84/94/90/1302849490.db2.gz QODYDMSROCAACD-UHFFFAOYSA-N 1 0 346.858 3.372 20 10 EGCDRO COCC[N@H+](Cc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000768198235 1302854665 /nfs/dbraw/zinc/85/46/65/1302854665.db2.gz OZNHTEYROYCMHD-UHFFFAOYSA-N 1 0 346.496 3.233 20 10 EGCDRO Oc1cccc(Cl)c1CN1CC[NH+](CCc2cccs2)CC1 ZINC000768357979 1302886845 /nfs/dbraw/zinc/88/68/45/1302886845.db2.gz SLKJMGMTZCJIKW-UHFFFAOYSA-N 1 0 336.888 3.467 20 10 EGCDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445677 1302908294 /nfs/dbraw/zinc/90/82/94/1302908294.db2.gz GMNICPZNLCFYDB-PXNSSMCTSA-N 1 0 339.435 3.334 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1OC ZINC000768449240 1302909589 /nfs/dbraw/zinc/90/95/89/1302909589.db2.gz FPDVQAIPDZNRJV-FQEVSTJZSA-N 1 0 343.423 3.373 20 10 EGCDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000768530109 1302925699 /nfs/dbraw/zinc/92/56/99/1302925699.db2.gz XXZXWWBXTLQBJL-HNNXBMFYSA-N 1 0 336.451 3.445 20 10 EGCDRO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)ccc1O ZINC000769399513 1303107170 /nfs/dbraw/zinc/10/71/70/1303107170.db2.gz KNRIAIMUGZJBFF-UHFFFAOYSA-N 1 0 349.814 3.423 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000769469236 1303119782 /nfs/dbraw/zinc/11/97/82/1303119782.db2.gz VYMQCRDRDSGHES-UHFFFAOYSA-N 1 0 333.520 3.075 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c1O ZINC000769499135 1303128396 /nfs/dbraw/zinc/12/83/96/1303128396.db2.gz MRLVHNMPDGOAEN-IBGZPJMESA-N 1 0 340.467 3.497 20 10 EGCDRO Fc1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)ccc1N1CCOCC1 ZINC000769506240 1303130122 /nfs/dbraw/zinc/13/01/22/1303130122.db2.gz PIOWRHAQEYLWSJ-IBGZPJMESA-N 1 0 340.442 3.479 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(O)c1 ZINC000769505374 1303130514 /nfs/dbraw/zinc/13/05/14/1303130514.db2.gz JUXZDVPDTBRMLP-QHCPKHFHSA-N 1 0 333.453 3.160 20 10 EGCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)ccc1N1CCCCC1 ZINC000769531467 1303136519 /nfs/dbraw/zinc/13/65/19/1303136519.db2.gz GCLUQMCAAHLVDS-LJQANCHMSA-N 1 0 345.443 3.198 20 10 EGCDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000769789211 1303174741 /nfs/dbraw/zinc/17/47/41/1303174741.db2.gz QDRXLCRLHDFGQW-GFCCVEGCSA-N 1 0 339.399 3.388 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000770294450 1303246018 /nfs/dbraw/zinc/24/60/18/1303246018.db2.gz ZGQBWUACSGAKOC-APWZRJJASA-N 1 0 347.459 3.178 20 10 EGCDRO C/C(=C\C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000771062573 1303354578 /nfs/dbraw/zinc/35/45/78/1303354578.db2.gz BIAGNSZLBJKVOD-VEMDQMBVSA-N 1 0 348.874 3.483 20 10 EGCDRO Cc1nsc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000771203991 1303375519 /nfs/dbraw/zinc/37/55/19/1303375519.db2.gz SOXBTAIYTUGFCU-ZDUSSCGKSA-N 1 0 338.864 3.282 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1c([O-])cccc1F ZINC000886506419 1303480624 /nfs/dbraw/zinc/48/06/24/1303480624.db2.gz RNJVUVDXLPMAIC-AWEZNQCLSA-N 1 0 332.419 3.323 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886607194 1303520899 /nfs/dbraw/zinc/52/08/99/1303520899.db2.gz MKJJGAJRFFIOHJ-CXAGYDPISA-N 1 0 332.419 3.493 20 10 EGCDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747625 1303583181 /nfs/dbraw/zinc/58/31/81/1303583181.db2.gz ZZBYUQMSLNLHTH-BEFAXECRSA-N 1 0 329.488 3.057 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)o1 ZINC000886747186 1303583632 /nfs/dbraw/zinc/58/36/32/1303583632.db2.gz NGXCLBKNYYJXME-OAHLLOKOSA-N 1 0 341.455 3.141 20 10 EGCDRO CC(C)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000773086133 1303622944 /nfs/dbraw/zinc/62/29/44/1303622944.db2.gz ZEMOGGYACIOLRU-GHTZIAJQSA-N 1 0 345.531 3.437 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000773733501 1303731073 /nfs/dbraw/zinc/73/10/73/1303731073.db2.gz WLMHTHQKLFCNAU-UHFFFAOYSA-N 1 0 325.456 3.171 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccc(F)cc1 ZINC000774482425 1303814784 /nfs/dbraw/zinc/81/47/84/1303814784.db2.gz KIJRHLHKGYQAIK-HUUCEWRRSA-N 1 0 343.446 3.247 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775137376 1303915166 /nfs/dbraw/zinc/91/51/66/1303915166.db2.gz TZFUAAPMABPEFD-MEBBXXQBSA-N 1 0 349.228 3.032 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000775161812 1303917920 /nfs/dbraw/zinc/91/79/20/1303917920.db2.gz ZOLMSGXXHKQPSM-PBHICJAKSA-N 1 0 333.476 3.098 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc2c1OCO2 ZINC000775362614 1303946312 /nfs/dbraw/zinc/94/63/12/1303946312.db2.gz IXNJXLZKWZMOLL-CYBMUJFWSA-N 1 0 328.412 3.341 20 10 EGCDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000775418285 1303961973 /nfs/dbraw/zinc/96/19/73/1303961973.db2.gz PUWYKJABMVGOEN-URLQWDBASA-N 1 0 336.451 3.128 20 10 EGCDRO CCCCC[N@H+](CCO)Cc1cc(Br)cc(C)c1O ZINC000775648005 1304003538 /nfs/dbraw/zinc/00/35/38/1304003538.db2.gz LYGWNSJMBLKLBZ-UHFFFAOYSA-N 1 0 330.266 3.448 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1O ZINC000775649529 1304004121 /nfs/dbraw/zinc/00/41/21/1304004121.db2.gz SOBONVFYUXZKBX-UHFFFAOYSA-N 1 0 342.414 3.234 20 10 EGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000775700198 1304018553 /nfs/dbraw/zinc/01/85/53/1304018553.db2.gz DJMLGRHKCRQPCR-CQSZACIVSA-N 1 0 336.863 3.188 20 10 EGCDRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000776133925 1304101192 /nfs/dbraw/zinc/10/11/92/1304101192.db2.gz BOVNAXFWFWWGQP-QFBILLFUSA-N 1 0 346.519 3.233 20 10 EGCDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776237810 1304118518 /nfs/dbraw/zinc/11/85/18/1304118518.db2.gz ITKCUERKSLIGNC-INIZCTEOSA-N 1 0 334.508 3.043 20 10 EGCDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776237812 1304118893 /nfs/dbraw/zinc/11/88/93/1304118893.db2.gz ITKCUERKSLIGNC-MRXNPFEDSA-N 1 0 334.508 3.043 20 10 EGCDRO C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000776248962 1304121396 /nfs/dbraw/zinc/12/13/96/1304121396.db2.gz LYAHDBWMWKWKDW-VQIMIIECSA-N 1 0 346.519 3.329 20 10 EGCDRO CCCCCn1cc(C[NH2+]Cc2cc(OC)c(OC)cc2O)c(C)n1 ZINC000776254418 1304122318 /nfs/dbraw/zinc/12/23/18/1304122318.db2.gz VGZDFFCQRPLRCP-UHFFFAOYSA-N 1 0 347.459 3.394 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000776309679 1304131781 /nfs/dbraw/zinc/13/17/81/1304131781.db2.gz NJARYUVDSFXJBB-CABCVRRESA-N 1 0 338.879 3.396 20 10 EGCDRO CN(C)c1nccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000776496285 1304165604 /nfs/dbraw/zinc/16/56/04/1304165604.db2.gz IWNRJJZQIIQJQA-UHFFFAOYSA-N 1 0 334.423 3.205 20 10 EGCDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000776950305 1304222811 /nfs/dbraw/zinc/22/28/11/1304222811.db2.gz RRIJIMZFYIUJDS-UYAOXDASSA-N 1 0 332.488 3.207 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000779019029 1304518618 /nfs/dbraw/zinc/51/86/18/1304518618.db2.gz CONMZJROAZGUTB-QGZVFWFLSA-N 1 0 347.409 3.437 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(Br)cc1O ZINC000779067380 1304525336 /nfs/dbraw/zinc/52/53/36/1304525336.db2.gz WNPQBYPQRNJNOO-PWSUYJOCSA-N 1 0 336.233 3.017 20 10 EGCDRO Cc1cc(O)c(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1C(C)C ZINC000780510609 1304702471 /nfs/dbraw/zinc/70/24/71/1304702471.db2.gz HGYAXMSHTGABJT-MRXNPFEDSA-N 1 0 334.504 3.101 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1O ZINC000782062080 1304909905 /nfs/dbraw/zinc/90/99/05/1304909905.db2.gz DVIBJXLDIAVUQA-INIZCTEOSA-N 1 0 337.778 3.211 20 10 EGCDRO COc1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c(O)c1OC ZINC000891536798 1305083286 /nfs/dbraw/zinc/08/32/86/1305083286.db2.gz NUTZVDPADYDYBO-UHFFFAOYSA-N 1 0 341.407 3.404 20 10 EGCDRO Cc1cc(F)ncc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892732416 1305527210 /nfs/dbraw/zinc/52/72/10/1305527210.db2.gz ZTMZROAYKYNESY-OAHLLOKOSA-N 1 0 329.419 3.217 20 10 EGCDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000788324446 1305922607 /nfs/dbraw/zinc/92/26/07/1305922607.db2.gz VHGUWAQNRREJQP-UHFFFAOYSA-N 1 0 346.519 3.078 20 10 EGCDRO C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(Br)c2[O-])CC1 ZINC000788436028 1305940693 /nfs/dbraw/zinc/94/06/93/1305940693.db2.gz RBELDOIKLKDVQW-UHFFFAOYSA-N 1 0 339.277 3.215 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc[nH]c(=O)c1 ZINC000788542057 1305967132 /nfs/dbraw/zinc/96/71/32/1305967132.db2.gz JIMRNOPNWHTNBE-CQSZACIVSA-N 1 0 329.469 3.191 20 10 EGCDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000789946362 1306235425 /nfs/dbraw/zinc/23/54/25/1306235425.db2.gz FVALSWYJQZHYEF-UHFFFAOYSA-N 1 0 346.402 3.009 20 10 EGCDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC000790069114 1306256192 /nfs/dbraw/zinc/25/61/92/1306256192.db2.gz JWZJJQVROVTMDP-UHFFFAOYSA-N 1 0 346.402 3.009 20 10 EGCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc3c(cc1O)CCCC3)C[C@@H](C)O2 ZINC000790401175 1306316779 /nfs/dbraw/zinc/31/67/79/1306316779.db2.gz KDTVEOHZTCYEOR-QEEYODRMSA-N 1 0 331.456 3.039 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790457349 1306330015 /nfs/dbraw/zinc/33/00/15/1306330015.db2.gz DYYBFECJQLOEKK-QGZVFWFLSA-N 1 0 344.499 3.449 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000790653660 1306369004 /nfs/dbraw/zinc/36/90/04/1306369004.db2.gz WOLITZPTVBKCKJ-QGZVFWFLSA-N 1 0 334.847 3.447 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c1O ZINC000894478077 1308912799 /nfs/dbraw/zinc/91/27/99/1308912799.db2.gz ASJDNBOMLNGHHG-HNAYVOBHSA-N 1 0 328.456 3.490 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c(O)c1OC ZINC000894591108 1308968876 /nfs/dbraw/zinc/96/88/76/1308968876.db2.gz DQQDBWDALDAXBR-DIFFPNOSSA-N 1 0 349.452 3.263 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(CSC)CC2)c(O)c1OC ZINC000894690954 1309022716 /nfs/dbraw/zinc/02/27/16/1309022716.db2.gz VICSJYLVYCQDJG-UHFFFAOYSA-N 1 0 325.474 3.421 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1O ZINC000894845538 1309097806 /nfs/dbraw/zinc/09/78/06/1309097806.db2.gz CBBLCXREQAFWEJ-HNNXBMFYSA-N 1 0 330.403 3.217 20 10 EGCDRO COC1(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000792157322 1309131349 /nfs/dbraw/zinc/13/13/49/1309131349.db2.gz UHYKOOWWKCFQQC-UHFFFAOYSA-N 1 0 332.488 3.304 20 10 EGCDRO Cc1nnc([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)[nH]1 ZINC000895007650 1309155596 /nfs/dbraw/zinc/15/55/96/1309155596.db2.gz LHGZOTOORIDFNM-KRWDZBQOSA-N 1 0 334.423 3.475 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000792842022 1309243701 /nfs/dbraw/zinc/24/37/01/1309243701.db2.gz DCIFDPDEPADQPK-CZUORRHYSA-N 1 0 330.394 3.364 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000792880757 1309250104 /nfs/dbraw/zinc/25/01/04/1309250104.db2.gz UTJMXAFHEPYDQL-LBPRGKRZSA-N 1 0 344.371 3.420 20 10 EGCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793074329 1309291976 /nfs/dbraw/zinc/29/19/76/1309291976.db2.gz FTZHRJRFOGRFPJ-CVEARBPZSA-N 1 0 346.393 3.055 20 10 EGCDRO COc1ccc([C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C2CC2)cn1 ZINC000895415377 1309328158 /nfs/dbraw/zinc/32/81/58/1309328158.db2.gz LSDWXOYTFSJYID-SFHVURJKSA-N 1 0 328.412 3.354 20 10 EGCDRO [O-]c1c(F)cccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793247547 1309330820 /nfs/dbraw/zinc/33/08/20/1309330820.db2.gz QPETWVGGRPDCDQ-HDICACEKSA-N 1 0 326.415 3.095 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(F)(F)F)nc2N(C)C)c1 ZINC000895582715 1309414311 /nfs/dbraw/zinc/41/43/11/1309414311.db2.gz WRNSMTGRCJBVNV-UHFFFAOYSA-N 1 0 339.361 3.470 20 10 EGCDRO COc1cc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794665941 1309566564 /nfs/dbraw/zinc/56/65/64/1309566564.db2.gz WSNUQNLKMDAWFB-JLTOFOAXSA-N 1 0 349.471 3.078 20 10 EGCDRO Cc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702283 1309578564 /nfs/dbraw/zinc/57/85/64/1309578564.db2.gz JQMRPXOGLAMXQO-YWZLYKJASA-N 1 0 333.472 3.378 20 10 EGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000795714763 1309817096 /nfs/dbraw/zinc/81/70/96/1309817096.db2.gz DXDYOADXPNVQCR-INIZCTEOSA-N 1 0 340.345 3.220 20 10 EGCDRO COc1cc(C[N@H+](C)CCCN(C)Cc2ccco2)c(O)cc1C ZINC000795750098 1309828165 /nfs/dbraw/zinc/82/81/65/1309828165.db2.gz AUKKHWVWTJSJOP-UHFFFAOYSA-N 1 0 332.444 3.256 20 10 EGCDRO C[N@H+](CCCN1CCN(c2ccccc2)CC1)Cc1ccccc1O ZINC000795955728 1309870575 /nfs/dbraw/zinc/87/05/75/1309870575.db2.gz JUPDIIUYHGAVKN-UHFFFAOYSA-N 1 0 339.483 3.036 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1C ZINC000797041723 1310131206 /nfs/dbraw/zinc/13/12/06/1310131206.db2.gz UNBNHAWHTDGLJF-DLBZAZTESA-N 1 0 345.487 3.340 20 10 EGCDRO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000798494548 1310371180 /nfs/dbraw/zinc/37/11/80/1310371180.db2.gz QODWDZHRCGAUSO-INIZCTEOSA-N 1 0 342.487 3.460 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@](C)(O)C(F)(F)F ZINC000799106329 1310486714 /nfs/dbraw/zinc/48/67/14/1310486714.db2.gz COTHJZQBEZCCTB-INIZCTEOSA-N 1 0 330.394 3.422 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898204555 1310626089 /nfs/dbraw/zinc/62/60/89/1310626089.db2.gz WMTYATNGJUJAIL-IBGZPJMESA-N 1 0 327.424 3.222 20 10 EGCDRO Cc1cc(Cl)nc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000800284673 1310720605 /nfs/dbraw/zinc/72/06/05/1310720605.db2.gz NEYVTDLWNRCKCE-UHFFFAOYSA-N 1 0 349.837 3.309 20 10 EGCDRO CCOC1CCC([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898447373 1310739428 /nfs/dbraw/zinc/73/94/28/1310739428.db2.gz IQVLRMXAQLQYTG-LYBXBRPPSA-N 1 0 333.520 3.293 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc3nccnc3c2)N(C)C)cc1 ZINC000898447404 1310739607 /nfs/dbraw/zinc/73/96/07/1310739607.db2.gz JHOUUVJNFUIROX-NRFANRHFSA-N 1 0 349.482 3.088 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2nc3c(s2)CCC3)N(C)C)cc1 ZINC000898449344 1310740260 /nfs/dbraw/zinc/74/02/60/1310740260.db2.gz BZNAZSWQUPPAHY-QGZVFWFLSA-N 1 0 344.528 3.090 20 10 EGCDRO Cc1ccncc1CCC[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450505 1310741867 /nfs/dbraw/zinc/74/18/67/1310741867.db2.gz RPRPYPLBADYVHL-OAQYLSRUSA-N 1 0 340.515 3.281 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000800473272 1310765035 /nfs/dbraw/zinc/76/50/35/1310765035.db2.gz PXSCHDLLPLPFHV-HXUWFJFHSA-N 1 0 343.515 3.130 20 10 EGCDRO C[C@@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)c1cc(F)ccc1O ZINC000800505170 1310772656 /nfs/dbraw/zinc/77/26/56/1310772656.db2.gz IIGBJPAOZJNIDT-KUCQQTCKSA-N 1 0 342.414 3.402 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)CC(=O)NC)cc1 ZINC000825068822 1320307391 /nfs/dbraw/zinc/30/73/91/1320307391.db2.gz YGWXTKARZDWYDV-QGZVFWFLSA-N 1 0 339.483 3.327 20 10 EGCDRO COc1cccc(O)c1CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000827179043 1320431855 /nfs/dbraw/zinc/43/18/55/1320431855.db2.gz OZLFTOVMOCCYKA-SFHVURJKSA-N 1 0 340.467 3.150 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1O ZINC000839148025 1320881707 /nfs/dbraw/zinc/88/17/07/1320881707.db2.gz UTCYJWVSWKNHJO-BETUJISGSA-N 1 0 344.249 3.209 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000839186176 1320889930 /nfs/dbraw/zinc/88/99/30/1320889930.db2.gz BKKYNKCHVUDRHI-ICCXJUOJSA-N 1 0 326.234 3.442 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@@H](OC)c3ccccc3)CC2)cc1 ZINC000801911164 1316965253 /nfs/dbraw/zinc/96/52/53/1316965253.db2.gz VHQVNXIYGRVIRE-HXUWFJFHSA-N 1 0 326.440 3.205 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)C2)cc1C ZINC001019185701 1317091111 /nfs/dbraw/zinc/09/11/11/1317091111.db2.gz MGKDBQLQUZJDFY-NYUBLWNDSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC3(C)C)C2)cc1C ZINC001019267031 1317136145 /nfs/dbraw/zinc/13/61/45/1317136145.db2.gz XZJMMXNDWNNYTB-DLBZAZTESA-N 1 0 330.472 3.130 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2c(O)cccc2Br)[C@H]2CCO[C@@H]21 ZINC000858144057 1328694446 /nfs/dbraw/zinc/69/44/46/1328694446.db2.gz FOWBHLNSTZCMDY-FZQKWOKYSA-N 1 0 326.234 3.058 20 10 EGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)[C@@H](O)c1ccccc1 ZINC000858164614 1328700809 /nfs/dbraw/zinc/70/08/09/1328700809.db2.gz ADXWFLWLFURNCT-MEDUHNTESA-N 1 0 336.229 3.366 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1cccs1 ZINC000808221646 1317646124 /nfs/dbraw/zinc/64/61/24/1317646124.db2.gz BQHOPKRCVVFZPO-RHSMWYFYSA-N 1 0 331.437 3.463 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1O ZINC000808715147 1317721271 /nfs/dbraw/zinc/72/12/71/1317721271.db2.gz ANJQFHFIEBBHTC-ZDUSSCGKSA-N 1 0 346.862 3.464 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(N(C)C)cc3)[C@H]2C1 ZINC000808722406 1317723042 /nfs/dbraw/zinc/72/30/42/1317723042.db2.gz BUXFRMOPJFGEAL-HSCHXYMDSA-N 1 0 329.488 3.050 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)c(C)c3O)[C@H]2C1 ZINC000808723706 1317723089 /nfs/dbraw/zinc/72/30/89/1317723089.db2.gz PQGGXUMGJYVHHN-CBVHJVASSA-N 1 0 330.472 3.307 20 10 EGCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000809698258 1317867893 /nfs/dbraw/zinc/86/78/93/1317867893.db2.gz WVLCKNJJJZMTPH-MRXNPFEDSA-N 1 0 346.475 3.111 20 10 EGCDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)Cc1cc(F)ccc1O ZINC000809738084 1317884257 /nfs/dbraw/zinc/88/42/57/1317884257.db2.gz RQIHJHNCBCMPDM-UHFFFAOYSA-N 1 0 338.373 3.373 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000809740339 1317885569 /nfs/dbraw/zinc/88/55/69/1317885569.db2.gz UPIMNTQLJTVIGG-STQMWFEESA-N 1 0 338.448 3.182 20 10 EGCDRO CCOc1c(C[NH2+]Cc2cccc(OC)c2O)c(C)nn1CC(C)C ZINC000809740464 1317886060 /nfs/dbraw/zinc/88/60/60/1317886060.db2.gz ZPICYYTWVQMTLP-UHFFFAOYSA-N 1 0 347.459 3.250 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)c1O ZINC000809739653 1317886617 /nfs/dbraw/zinc/88/66/17/1317886617.db2.gz AKRLUKIDMUWZPJ-UHFFFAOYSA-N 1 0 337.423 3.400 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)CCOCc2ccccc2)cc1OC ZINC000809782461 1317900756 /nfs/dbraw/zinc/90/07/56/1317900756.db2.gz VBSNTXWRCPQFNM-OAHLLOKOSA-N 1 0 345.439 3.494 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc[nH]c2=O)c(C(F)(F)F)c1 ZINC000858304025 1328733399 /nfs/dbraw/zinc/73/33/99/1328733399.db2.gz CNFOKKGINNOOJZ-UHFFFAOYSA-N 1 0 325.334 3.162 20 10 EGCDRO COc1cc(F)c(F)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810164531 1317966807 /nfs/dbraw/zinc/96/68/07/1317966807.db2.gz JHJWUAHJDJKJBF-UHFFFAOYSA-N 1 0 347.409 3.337 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(Cl)ccc1O ZINC000810243972 1317985133 /nfs/dbraw/zinc/98/51/33/1317985133.db2.gz WHIVMIYOWNAENA-INIZCTEOSA-N 1 0 332.831 3.314 20 10 EGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810257189 1317988232 /nfs/dbraw/zinc/98/82/32/1317988232.db2.gz MSBUITMWFFOGGZ-MGPQQGTHSA-N 1 0 326.868 3.251 20 10 EGCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000811864040 1318281488 /nfs/dbraw/zinc/28/14/88/1318281488.db2.gz KWWATKHVNQJQEU-KRWDZBQOSA-N 1 0 346.519 3.206 20 10 EGCDRO Cc1csc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000858432397 1328760433 /nfs/dbraw/zinc/76/04/33/1328760433.db2.gz RSOADRSDOCVVFV-AWEZNQCLSA-N 1 0 331.485 3.263 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000812739876 1318446163 /nfs/dbraw/zinc/44/61/63/1318446163.db2.gz HAXBFCFRABFQRB-KBPBESRZSA-N 1 0 328.387 3.296 20 10 EGCDRO COCCOCc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000812773318 1318451121 /nfs/dbraw/zinc/45/11/21/1318451121.db2.gz UCEQXDDODLJRFD-UHFFFAOYSA-N 1 0 335.831 3.498 20 10 EGCDRO O=C1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CN1c1ccccc1F ZINC000812782271 1318453840 /nfs/dbraw/zinc/45/38/40/1318453840.db2.gz PHRQPHRUOASDST-NSHDSACASA-N 1 0 334.778 3.080 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cc(F)ccc1O ZINC000813881653 1318649699 /nfs/dbraw/zinc/64/96/99/1318649699.db2.gz RKUFDMLBYIIIGC-GFCCVEGCSA-N 1 0 326.371 3.234 20 10 EGCDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000814170893 1318686971 /nfs/dbraw/zinc/68/69/71/1318686971.db2.gz DFJSNHITWYMIIJ-HXUWFJFHSA-N 1 0 325.408 3.017 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)cc1C ZINC001021936043 1318736184 /nfs/dbraw/zinc/73/61/84/1318736184.db2.gz GDEWBCFZUPCCQP-MCWQTJMBSA-N 1 0 342.483 3.177 20 10 EGCDRO Cc1cc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1N(C)C ZINC000815025702 1318870634 /nfs/dbraw/zinc/87/06/34/1318870634.db2.gz JHIBYXBQTILQSQ-WSTZPKSXSA-N 1 0 345.531 3.135 20 10 EGCDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000815146333 1318911127 /nfs/dbraw/zinc/91/11/27/1318911127.db2.gz FDUMBDQVJDXTGO-HNNXBMFYSA-N 1 0 328.250 3.186 20 10 EGCDRO CCc1noc(C)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000815146798 1318911152 /nfs/dbraw/zinc/91/11/52/1318911152.db2.gz TXTPJLYCVYFNNE-UHFFFAOYSA-N 1 0 325.206 3.303 20 10 EGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000815153760 1318915007 /nfs/dbraw/zinc/91/50/07/1318915007.db2.gz XRRBNEMPCPPNHB-GOSISDBHSA-N 1 0 333.432 3.100 20 10 EGCDRO CC1(C)OCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000815584802 1319022211 /nfs/dbraw/zinc/02/22/11/1319022211.db2.gz PMRVEACXBLTEGO-XJKSGUPXSA-N 1 0 340.414 3.414 20 10 EGCDRO Oc1c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc2ccccc21 ZINC000816505398 1319169288 /nfs/dbraw/zinc/16/92/88/1319169288.db2.gz VEXXYPDTYUZODN-QGZVFWFLSA-N 1 0 348.450 3.463 20 10 EGCDRO O=C([C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1)N1CCCC1 ZINC000816510128 1319169306 /nfs/dbraw/zinc/16/93/06/1319169306.db2.gz NNCWAIVIXLWOSX-SFHVURJKSA-N 1 0 338.451 3.380 20 10 EGCDRO Oc1c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)ccc2ccccc21 ZINC000816557491 1319182218 /nfs/dbraw/zinc/18/22/18/1319182218.db2.gz SDFDPDHLRZONCC-QGZVFWFLSA-N 1 0 327.424 3.363 20 10 EGCDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc2ccccc2c1O ZINC000816592566 1319190536 /nfs/dbraw/zinc/19/05/36/1319190536.db2.gz NKXVBORMETVXPX-UHFFFAOYSA-N 1 0 326.440 3.284 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000817414861 1319352630 /nfs/dbraw/zinc/35/26/30/1319352630.db2.gz POCXMCRVXKAFCQ-KGLIPLIRSA-N 1 0 335.444 3.201 20 10 EGCDRO Cc1cc(C(=O)NCC[NH+]2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000914878402 1319391362 /nfs/dbraw/zinc/39/13/62/1319391362.db2.gz CKQSVIOSSLVMTL-UHFFFAOYSA-N 1 0 325.456 3.228 20 10 EGCDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1=O ZINC000817589606 1319409109 /nfs/dbraw/zinc/40/91/09/1319409109.db2.gz OTGVQBGURJJDHG-LSDHHAIUSA-N 1 0 330.472 3.180 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938584 1319466906 /nfs/dbraw/zinc/46/69/06/1319466906.db2.gz NPQRMZISORFZEM-PMACEKPBSA-N 1 0 339.483 3.428 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938549 1319467417 /nfs/dbraw/zinc/46/74/17/1319467417.db2.gz MWBGAUBSOXRBGT-OALUTQOASA-N 1 0 342.443 3.402 20 10 EGCDRO COc1ncc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000817944082 1319471360 /nfs/dbraw/zinc/47/13/60/1319471360.db2.gz XGDDANOYEQRGQG-SJKOYZFVSA-N 1 0 348.878 3.160 20 10 EGCDRO CCC([NH3+])(CC)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817961024 1319477762 /nfs/dbraw/zinc/47/77/62/1319477762.db2.gz WJWVUEROELUOGB-CQSZACIVSA-N 1 0 339.911 3.345 20 10 EGCDRO CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817961270 1319478131 /nfs/dbraw/zinc/47/81/31/1319478131.db2.gz ZVVZPUFMYGHAAS-VIFPVBQESA-N 1 0 333.245 3.462 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983210 1319485061 /nfs/dbraw/zinc/48/50/61/1319485061.db2.gz ZIWVIGGNHFTABG-SMDDNHRTSA-N 1 0 333.259 3.118 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)C2)cc1 ZINC000818342363 1319530769 /nfs/dbraw/zinc/53/07/69/1319530769.db2.gz POKJUWKBLLDAFX-XLNTUCKNSA-N 1 0 344.499 3.315 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000818341539 1319530788 /nfs/dbraw/zinc/53/07/88/1319530788.db2.gz AGTTVBZVOUCEPS-APWZRJJASA-N 1 0 330.472 3.070 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(F)cn3)C2)cc1 ZINC000818342288 1319531128 /nfs/dbraw/zinc/53/11/28/1319531128.db2.gz OMUKJWAYKONMLI-CABCVRRESA-N 1 0 329.419 3.406 20 10 EGCDRO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000818634631 1319572964 /nfs/dbraw/zinc/57/29/64/1319572964.db2.gz OVPSXGQSKKVAFO-UHFFFAOYSA-N 1 0 326.444 3.150 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000917291988 1319781895 /nfs/dbraw/zinc/78/18/95/1319781895.db2.gz FSPYJLSDRMYTMO-AZUAARDMSA-N 1 0 337.467 3.451 20 10 EGCDRO C[C@H]1CCC[C@](CNC(=O)NCc2ccc(N(C)C)cc2)([NH+](C)C)C1 ZINC000918541825 1319972588 /nfs/dbraw/zinc/97/25/88/1319972588.db2.gz NSZJTJDKBAOBKJ-JXFKEZNVSA-N 1 0 346.519 3.062 20 10 EGCDRO CC[C@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023852287 1319988098 /nfs/dbraw/zinc/98/80/98/1319988098.db2.gz CXFJXQZUZXWCRD-MAUKXSAKSA-N 1 0 332.488 3.378 20 10 EGCDRO CC(C)n1cncc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000822438002 1320081584 /nfs/dbraw/zinc/08/15/84/1320081584.db2.gz AKBFDIITTBHKKB-SFHVURJKSA-N 1 0 329.444 3.351 20 10 EGCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823730192 1320201718 /nfs/dbraw/zinc/20/17/18/1320201718.db2.gz RURRBDZUQGQIRT-UHFFFAOYSA-N 1 0 345.512 3.343 20 10 EGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCC34CCC4)cc2)C1 ZINC000824085293 1320228002 /nfs/dbraw/zinc/22/80/02/1320228002.db2.gz LYFHXFUGMWJVIW-IEBWSBKVSA-N 1 0 341.499 3.201 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1 ZINC000824403631 1320255192 /nfs/dbraw/zinc/25/51/92/1320255192.db2.gz XMOJJBIZMZKTNP-INIZCTEOSA-N 1 0 343.496 3.082 20 10 EGCDRO Oc1cc(Br)ccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000824556078 1320264792 /nfs/dbraw/zinc/26/47/92/1320264792.db2.gz LWXMMACLZDROOC-NSHDSACASA-N 1 0 326.234 3.156 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000824893132 1320293766 /nfs/dbraw/zinc/29/37/66/1320293766.db2.gz LHNKJDAIJDKIMG-WCQYABFASA-N 1 0 330.350 3.073 20 10 EGCDRO CC(C)OCCOC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000825207326 1320318156 /nfs/dbraw/zinc/31/81/56/1320318156.db2.gz IRAAYECRUKUVLT-UHFFFAOYSA-N 1 0 327.852 3.452 20 10 EGCDRO OCC[C@H]([NH2+]Cc1ccc(Br)cc1O)c1cccs1 ZINC000825292068 1320324468 /nfs/dbraw/zinc/32/44/68/1320324468.db2.gz TXTHKFNXBQGKJB-LBPRGKRZSA-N 1 0 342.258 3.430 20 10 EGCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825641522 1320352231 /nfs/dbraw/zinc/35/22/31/1320352231.db2.gz SRCYPRBHUIBGKC-GYSYKLTISA-N 1 0 328.250 3.136 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1Cl ZINC000825732815 1320358610 /nfs/dbraw/zinc/35/86/10/1320358610.db2.gz YMYOLRRODAMBNN-DCGLDWPTSA-N 1 0 325.836 3.122 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838773085 1320814674 /nfs/dbraw/zinc/81/46/74/1320814674.db2.gz VIABEKFUHYPOSB-MRXNPFEDSA-N 1 0 333.476 3.046 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cnc(C2CC2)nc1)C[C@H]1CCCO1 ZINC000838783980 1320815698 /nfs/dbraw/zinc/81/56/98/1320815698.db2.gz OZJPWGUXMMNHLA-GOSISDBHSA-N 1 0 339.439 3.241 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000838916093 1320834051 /nfs/dbraw/zinc/83/40/51/1320834051.db2.gz OUSLZOTYHOWVGQ-INIZCTEOSA-N 1 0 337.467 3.258 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000839146742 1320880214 /nfs/dbraw/zinc/88/02/14/1320880214.db2.gz SVKDUTWPYGAIGF-CYBMUJFWSA-N 1 0 333.382 3.047 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000839918986 1320995754 /nfs/dbraw/zinc/99/57/54/1320995754.db2.gz OVQHFSBMHDBLPL-QGZVFWFLSA-N 1 0 345.531 3.229 20 10 EGCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1)C(N)=O ZINC000840111180 1321031169 /nfs/dbraw/zinc/03/11/69/1321031169.db2.gz WVMMZHKTKMXLCP-CQSZACIVSA-N 1 0 341.455 3.054 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c(O)c1 ZINC000840795865 1321150259 /nfs/dbraw/zinc/15/02/59/1321150259.db2.gz BXXKURFMDIEYEO-WBVHZDCISA-N 1 0 349.471 3.075 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000840880286 1321168879 /nfs/dbraw/zinc/16/88/79/1321168879.db2.gz BIEKBBZOKDYTPT-DYVFJYSZSA-N 1 0 328.387 3.296 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000840975821 1321192313 /nfs/dbraw/zinc/19/23/13/1321192313.db2.gz LWKJOTAGEGIGSJ-ZIAGYGMSSA-N 1 0 333.501 3.292 20 10 EGCDRO Nc1ccc(CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)cc1 ZINC000841036880 1321205696 /nfs/dbraw/zinc/20/56/96/1321205696.db2.gz WYFANTXHTDAOQJ-UHFFFAOYSA-N 1 0 341.474 3.247 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000841042779 1321207742 /nfs/dbraw/zinc/20/77/42/1321207742.db2.gz OCXPPYPQWGLCER-OAQYLSRUSA-N 1 0 339.483 3.331 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]C[C@H]2CNCCO2)c(O)c(C(C)(C)C)c1 ZINC000841101647 1321218664 /nfs/dbraw/zinc/21/86/64/1321218664.db2.gz XZXBHIZEKPJECQ-MRXNPFEDSA-N 1 0 334.504 3.065 20 10 EGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000841755082 1321307522 /nfs/dbraw/zinc/30/75/22/1321307522.db2.gz HADPCSGZVWLXEC-RDJZCZTQSA-N 1 0 338.467 3.374 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841932053 1321330669 /nfs/dbraw/zinc/33/06/69/1321330669.db2.gz ZVFMCGFORFRAIY-UHFFFAOYSA-N 1 0 341.455 3.015 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841981701 1321333777 /nfs/dbraw/zinc/33/37/77/1321333777.db2.gz GWGSUZBQOAEPRN-MSOLQXFVSA-N 1 0 344.503 3.088 20 10 EGCDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052886 1321462185 /nfs/dbraw/zinc/46/21/85/1321462185.db2.gz XOYDWZLCIFUOSM-NVXWUHKLSA-N 1 0 346.475 3.144 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnc([C@H]2CCCO2)s1 ZINC000843058576 1321463774 /nfs/dbraw/zinc/46/37/74/1321463774.db2.gz VKOIQOKPZDYEML-QGZVFWFLSA-N 1 0 329.469 3.406 20 10 EGCDRO COCCOc1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843057875 1321464288 /nfs/dbraw/zinc/46/42/88/1321464288.db2.gz WFTCBXULLZCPIB-UHFFFAOYSA-N 1 0 326.440 3.123 20 10 EGCDRO Cn1cc(CN2CCCc3cc(C[NH3+])ccc32)c(-c2ccccc2)n1 ZINC000843058403 1321464346 /nfs/dbraw/zinc/46/43/46/1321464346.db2.gz RDTGIEXJXJTBAR-UHFFFAOYSA-N 1 0 332.451 3.499 20 10 EGCDRO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000843125457 1321473252 /nfs/dbraw/zinc/47/32/52/1321473252.db2.gz XBFLKUQFQXJFLA-ZBFHGGJFSA-N 1 0 345.270 3.027 20 10 EGCDRO C[C@H]([NH2+]CCCCCC[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000843342748 1321502999 /nfs/dbraw/zinc/50/29/99/1321502999.db2.gz TWPFTNPFNWAGHP-JTQLQIEISA-N 1 0 333.245 3.464 20 10 EGCDRO [NH3+]C[C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000843348445 1321503414 /nfs/dbraw/zinc/50/34/14/1321503414.db2.gz NUIBOGZJCDNXQL-OAHLLOKOSA-N 1 0 337.427 3.321 20 10 EGCDRO CC(C)(C)OC(=O)CC[N@H+](Cc1ccccc1O)C1CCOCC1 ZINC000843413058 1321513930 /nfs/dbraw/zinc/51/39/30/1321513930.db2.gz DQZTVLFRWFOZGM-UHFFFAOYSA-N 1 0 335.444 3.105 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC2(CCCC2)O1 ZINC000843433646 1321518280 /nfs/dbraw/zinc/51/82/80/1321518280.db2.gz BVUDNYJEAFTJER-MRXNPFEDSA-N 1 0 348.462 3.196 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000843485355 1321522422 /nfs/dbraw/zinc/52/24/22/1321522422.db2.gz KZTQVFDAQRNXOL-UHFFFAOYSA-N 1 0 337.467 3.407 20 10 EGCDRO C[NH2+]CCCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843486583 1321522446 /nfs/dbraw/zinc/52/24/46/1321522446.db2.gz UVSCLHWBCPVXKF-INIZCTEOSA-N 1 0 326.440 3.482 20 10 EGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C(=O)CC12CCCC2 ZINC000844688188 1321635955 /nfs/dbraw/zinc/63/59/55/1321635955.db2.gz GFQLNNJBVDXUMF-UHFFFAOYSA-N 1 0 329.488 3.466 20 10 EGCDRO CC1(C)CC(NC(=O)NCc2cc(Cl)ccc2O)CC(C)(C)[NH2+]1 ZINC000844843860 1321649971 /nfs/dbraw/zinc/64/99/71/1321649971.db2.gz AQNOCCHPTVZDMN-UHFFFAOYSA-N 1 0 339.867 3.154 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccnn2CC(C)C)cc1 ZINC000846051876 1321764389 /nfs/dbraw/zinc/76/43/89/1321764389.db2.gz LWMUQXSJTKZHJE-UHFFFAOYSA-N 1 0 330.476 3.116 20 10 EGCDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846142234 1321770980 /nfs/dbraw/zinc/77/09/80/1321770980.db2.gz YFDVOKAGKOYOEN-CQSZACIVSA-N 1 0 342.439 3.391 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)c1O ZINC000846153637 1321771953 /nfs/dbraw/zinc/77/19/53/1321771953.db2.gz ZKOOZIBHMGVGAG-LBPRGKRZSA-N 1 0 343.402 3.320 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c1O ZINC000846165219 1321773430 /nfs/dbraw/zinc/77/34/30/1321773430.db2.gz UHJWVIUDQJAMMB-PCVOSPCESA-N 1 0 342.439 3.277 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1)C1CCCCC1 ZINC000846672307 1321800448 /nfs/dbraw/zinc/80/04/48/1321800448.db2.gz GJHGTGZVKFMMGO-SFHVURJKSA-N 1 0 343.515 3.461 20 10 EGCDRO CNC(=O)CCC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846842244 1321815681 /nfs/dbraw/zinc/81/56/81/1321815681.db2.gz RQGXULWIOCAWLM-MRXNPFEDSA-N 1 0 326.440 3.482 20 10 EGCDRO CN(c1ccc(CNC(=O)CC[NH2+]C2CC2)cc1)C1CCCCC1 ZINC000848412376 1321957522 /nfs/dbraw/zinc/95/75/22/1321957522.db2.gz PBJJJILQINXALS-UHFFFAOYSA-N 1 0 329.488 3.214 20 10 EGCDRO c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(N3CCSCC3)cc1)CCC2 ZINC000848521830 1321968638 /nfs/dbraw/zinc/96/86/38/1321968638.db2.gz RZTSRNRSOMEINX-KRWDZBQOSA-N 1 0 328.485 3.061 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)ccc1OC ZINC000848576106 1321978460 /nfs/dbraw/zinc/97/84/60/1321978460.db2.gz ZVCRTXRENMTDBQ-RBUKOAKNSA-N 1 0 332.488 3.338 20 10 EGCDRO CCc1nsc(N2CCC[N@H+](Cc3cccc(CC)c3O)CC2)n1 ZINC000848889097 1322029779 /nfs/dbraw/zinc/02/97/79/1322029779.db2.gz FSWVLZVMYRGEAO-UHFFFAOYSA-N 1 0 346.500 3.081 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000848894600 1322034842 /nfs/dbraw/zinc/03/48/42/1322034842.db2.gz KYMPZVSQZZQERP-GOSISDBHSA-N 1 0 326.440 3.264 20 10 EGCDRO CCc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1O ZINC000848905579 1322041717 /nfs/dbraw/zinc/04/17/17/1322041717.db2.gz JVJMTROYGMKECE-IBGZPJMESA-N 1 0 338.451 3.154 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1ccc(Cl)cc1 ZINC000848920403 1322045404 /nfs/dbraw/zinc/04/54/04/1322045404.db2.gz FYWJHPWGJRECGU-DLBZAZTESA-N 1 0 345.826 3.434 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849350718 1322117038 /nfs/dbraw/zinc/11/70/38/1322117038.db2.gz SROWJXHOKNQRNX-ZDUSSCGKSA-N 1 0 326.843 3.396 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1F ZINC000850099464 1322192459 /nfs/dbraw/zinc/19/24/59/1322192459.db2.gz LSGMJZSECOIWOT-SFHVURJKSA-N 1 0 344.430 3.349 20 10 EGCDRO Cc1c(Br)cncc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000850112522 1322193588 /nfs/dbraw/zinc/19/35/88/1322193588.db2.gz YTRSNHSTHANDLL-UHFFFAOYSA-N 1 0 333.229 3.377 20 10 EGCDRO c1cc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc2c1OCC2 ZINC000850112154 1322193529 /nfs/dbraw/zinc/19/35/29/1322193529.db2.gz UGWHIBRJYXDXEF-LJQANCHMSA-N 1 0 325.408 3.079 20 10 EGCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000920957120 1322238766 /nfs/dbraw/zinc/23/87/66/1322238766.db2.gz IPIZBJZWQOFYLF-KRWDZBQOSA-N 1 0 339.483 3.327 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cnc1Cl ZINC000850405881 1322240547 /nfs/dbraw/zinc/24/05/47/1322240547.db2.gz JFYGVIQIMUGMQU-UHFFFAOYSA-N 1 0 345.874 3.294 20 10 EGCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000850431097 1322247843 /nfs/dbraw/zinc/24/78/43/1322247843.db2.gz SQEUTZYQJYGWCZ-INIZCTEOSA-N 1 0 327.476 3.225 20 10 EGCDRO CC[C@H]([NH2+]Cc1cn(CC)nn1)c1ccc(C(F)(F)F)cc1O ZINC000850522502 1322260705 /nfs/dbraw/zinc/26/07/05/1322260705.db2.gz SBEWKRRDGCNPSA-ZDUSSCGKSA-N 1 0 328.338 3.263 20 10 EGCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000850551967 1322264880 /nfs/dbraw/zinc/26/48/80/1322264880.db2.gz ZKSVBEDTZFVAPS-MRXNPFEDSA-N 1 0 333.476 3.416 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1O ZINC000850580553 1322273393 /nfs/dbraw/zinc/27/33/93/1322273393.db2.gz OKVOGIDFUXVCCN-ANRSDYALSA-N 1 0 329.293 3.333 20 10 EGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC000921747694 1322390203 /nfs/dbraw/zinc/39/02/03/1322390203.db2.gz RBYCEQAFVYTCLS-XLIONFOSSA-N 1 0 346.515 3.238 20 10 EGCDRO Cn1c(C[NH2+]Cc2ccc3c(c2)CCCO3)nc2cc(F)ccc21 ZINC000921753360 1322392964 /nfs/dbraw/zinc/39/29/64/1322392964.db2.gz AUSDINLZWQVIMP-UHFFFAOYSA-N 1 0 325.387 3.327 20 10 EGCDRO CCOCc1cc(C[NH2+]CCNc2ccc(C)cn2)ccc1OC ZINC000922925608 1322651296 /nfs/dbraw/zinc/65/12/96/1322651296.db2.gz LRXXGZOTNSADHV-UHFFFAOYSA-N 1 0 329.444 3.137 20 10 EGCDRO CC[C@H]1COC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924906701 1323208930 /nfs/dbraw/zinc/20/89/30/1323208930.db2.gz NHTWEGFCBZQCET-SUMWQHHRSA-N 1 0 340.414 3.271 20 10 EGCDRO CC(C)c1ccccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792668 1323243162 /nfs/dbraw/zinc/24/31/62/1323243162.db2.gz ZFWLYPZALGTGFD-IBGZPJMESA-N 1 0 325.456 3.306 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2cnccc2C(F)(F)F)c1O ZINC000853094966 1323280122 /nfs/dbraw/zinc/28/01/22/1323280122.db2.gz DECHJZITZAGLKG-UHFFFAOYSA-N 1 0 326.318 3.495 20 10 EGCDRO OC1CCN(c2ccc(CNc3cc[nH+]c4ccccc34)cc2)CC1 ZINC000853955882 1325192289 /nfs/dbraw/zinc/19/22/89/1325192289.db2.gz KKPBNRQGMOZELD-UHFFFAOYSA-N 1 0 333.435 3.230 20 10 EGCDRO C[C@@H](NCC1([NH3+])CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000854222479 1325230847 /nfs/dbraw/zinc/23/08/47/1325230847.db2.gz HESIOWOKPKMSQW-CQSZACIVSA-N 1 0 337.895 3.099 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000857062315 1325565061 /nfs/dbraw/zinc/56/50/61/1325565061.db2.gz ZYUMTBGGUBNBKS-RDJZCZTQSA-N 1 0 347.459 3.035 20 10 EGCDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000927015935 1327821606 /nfs/dbraw/zinc/82/16/06/1327821606.db2.gz HIAVTGDYZRFKIT-GDBMZVCRSA-N 1 0 340.895 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1C ZINC000966515637 1328331194 /nfs/dbraw/zinc/33/11/94/1328331194.db2.gz CJAXFTDUGUJSJI-GOSISDBHSA-N 1 0 330.472 3.274 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1F ZINC000862378643 1329480454 /nfs/dbraw/zinc/48/04/54/1329480454.db2.gz WUTACWNTJFNCTQ-SFHVURJKSA-N 1 0 336.426 3.422 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000862478680 1329489815 /nfs/dbraw/zinc/48/98/15/1329489815.db2.gz MEQSHWCIHSYYJG-INIZCTEOSA-N 1 0 326.440 3.216 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)c1 ZINC000862536221 1329493640 /nfs/dbraw/zinc/49/36/40/1329493640.db2.gz FYSUMAQHDWVRNZ-GOSISDBHSA-N 1 0 341.407 3.063 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000862758710 1329507045 /nfs/dbraw/zinc/50/70/45/1329507045.db2.gz IDWUMRBMPMJLFE-GOSISDBHSA-N 1 0 338.451 3.229 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC000865418452 1329694642 /nfs/dbraw/zinc/69/46/42/1329694642.db2.gz LFCYCQTWRLIXRL-UHFFFAOYSA-N 1 0 332.394 3.400 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(C)cc1O ZINC000866436198 1330112257 /nfs/dbraw/zinc/11/22/57/1330112257.db2.gz KMEXLPLPPYOYQD-GXTWGEPZSA-N 1 0 328.338 3.136 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)c1 ZINC000866473408 1330116792 /nfs/dbraw/zinc/11/67/92/1330116792.db2.gz CSCAKANHDVCZEY-OAHLLOKOSA-N 1 0 343.496 3.500 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(C(C)C)CC3)C[C@H]2C)cc1C ZINC000939098112 1330375346 /nfs/dbraw/zinc/37/53/46/1330375346.db2.gz MINFRLGSGKMRNY-SJLPKXTDSA-N 1 0 344.499 3.376 20 10 EGCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001206325274 1371023935 /nfs/dbraw/zinc/02/39/35/1371023935.db2.gz GXZYRUVNXKTUCX-OAHLLOKOSA-N 1 0 345.256 3.245 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccccc2)cc1C ZINC001034846707 1342799695 /nfs/dbraw/zinc/79/96/95/1342799695.db2.gz ADKBGISKXCZVTG-LJQANCHMSA-N 1 0 338.451 3.398 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C=C3CCC3)C[C@@H]2C)cc1C ZINC001035988785 1343303038 /nfs/dbraw/zinc/30/30/38/1343303038.db2.gz XNQALSCWZFPCOF-LPHOPBHVSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(CF)CC3)C[C@H]2C)cc1C ZINC001036179030 1343348980 /nfs/dbraw/zinc/34/89/80/1343348980.db2.gz DYCXHQVZOKUWHW-NVXWUHKLSA-N 1 0 348.462 3.080 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(C)C)C[C@@H]2C)cc1C ZINC001036269796 1343387721 /nfs/dbraw/zinc/38/77/21/1343387721.db2.gz ZYLAZXXHERWZLN-RDJZCZTQSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C2(C)CC2)cc1C ZINC001037012205 1343928501 /nfs/dbraw/zinc/92/85/01/1343928501.db2.gz CKOBKLDLDRZBJW-IRXDYDNUSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2cc[nH]c2)cc1C ZINC001037015147 1343931137 /nfs/dbraw/zinc/93/11/37/1343931137.db2.gz VUIYGNJZEGOXEM-AEFFLSMTSA-N 1 0 341.455 3.020 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001045127479 1346499650 /nfs/dbraw/zinc/49/96/50/1346499650.db2.gz ODSIBPAWVFYRKU-LVCYWYKZSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)C3CC3)CC2)cc1C ZINC001048596729 1347613050 /nfs/dbraw/zinc/61/30/50/1347613050.db2.gz SYSHGMHZTAIISW-QAQDUYKDSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3occc3C)C[C@H]2C)cc1C ZINC001054388680 1349345551 /nfs/dbraw/zinc/34/55/51/1349345551.db2.gz WQFZYJIXKCLIGA-WBVHZDCISA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3coc(C)c3)C[C@@H]2C)cc1C ZINC001054601816 1349411473 /nfs/dbraw/zinc/41/14/73/1349411473.db2.gz WGWOAEUVPZFZSD-KSSFIOAISA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](F)C(C)C)[C@H]2C)cc1C ZINC001074812011 1356250523 /nfs/dbraw/zinc/25/05/23/1356250523.db2.gz RRNSPAUFBOMJFO-ZVZYQTTQSA-N 1 0 336.451 3.077 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)F)C23CCC3)cc1C ZINC001078531883 1356999188 /nfs/dbraw/zinc/99/91/88/1356999188.db2.gz RZGGKVQRGDSJOJ-IRXDYDNUSA-N 1 0 348.462 3.269 20 10 EGCDRO CC(C)[C@H](C(=O)N(Cc1ccccc1)c1ccc(N)cc1)[NH+](C)C ZINC001183363492 1387303743 /nfs/dbraw/zinc/30/37/43/1387303743.db2.gz TYPIFYDLJOHOPM-LJQANCHMSA-N 1 0 325.456 3.388 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccccc3)C2)cc1C ZINC001086015232 1358965649 /nfs/dbraw/zinc/96/56/49/1358965649.db2.gz DHTGRSWOUIKZHG-IZAXUBKRSA-N 1 0 338.451 3.302 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3CCC3)C2)cc1C ZINC001086629257 1359169890 /nfs/dbraw/zinc/16/98/90/1359169890.db2.gz VIKDAWVYMRKPDD-FUHWJXTLSA-N 1 0 330.472 3.178 20 10 EGCDRO CC1([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)OCCO1 ZINC001323784910 1387450599 /nfs/dbraw/zinc/45/05/99/1387450599.db2.gz HPASENPZQWWXFD-SFHVURJKSA-N 1 0 330.472 3.262 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(C)C)C3)cc1C ZINC001094862300 1361928407 /nfs/dbraw/zinc/92/84/07/1361928407.db2.gz GVSGCRRNZGUFBY-KSZLIROESA-N 1 0 330.472 3.129 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)CC(C)(F)F)C2)cc1C ZINC001100650542 1364205151 /nfs/dbraw/zinc/20/51/51/1364205151.db2.gz JWAYKKWIDKZFJV-UHFFFAOYSA-N 1 0 340.414 3.033 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cncn1 ZINC001324964361 1387857653 /nfs/dbraw/zinc/85/76/53/1387857653.db2.gz GQRXTRDCSSTFOW-GDIGMMSISA-N 1 0 327.476 3.172 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC(C)(C)S(C)(=O)=O ZINC001325289345 1387929319 /nfs/dbraw/zinc/92/93/19/1387929319.db2.gz ONQMSHYFIBMOLH-OLZOCXBDSA-N 1 0 325.474 3.052 20 10 EGCDRO Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccccc4O)C3)CC2=O)c1 ZINC001203552677 1370167712 /nfs/dbraw/zinc/16/77/12/1370167712.db2.gz QCVFSZLAMQOTCG-NRFANRHFSA-N 1 0 336.435 3.330 20 10 EGCDRO Cc1cc(N2CC[NH+](Cc3ccccc3O)CC2)n(-c2ccccc2)n1 ZINC001203558496 1370169410 /nfs/dbraw/zinc/16/94/10/1370169410.db2.gz LBBCATVXKVPWRE-UHFFFAOYSA-N 1 0 348.450 3.209 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](CCOC)CO3)C2)c1O ZINC001203608555 1370187076 /nfs/dbraw/zinc/18/70/76/1370187076.db2.gz UCDMQVKMOFOUMW-OXQOHEQNSA-N 1 0 349.471 3.199 20 10 EGCDRO COc1ccc(C[N@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)c(O)c1 ZINC001203634817 1370195508 /nfs/dbraw/zinc/19/55/08/1370195508.db2.gz WUZBPXJCTGIBIO-OAHLLOKOSA-N 1 0 343.423 3.190 20 10 EGCDRO COc1ccc(OC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)nc1 ZINC001203665482 1370208247 /nfs/dbraw/zinc/20/82/47/1370208247.db2.gz LZBGTZWKIAVBAW-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203665258 1370208403 /nfs/dbraw/zinc/20/84/03/1370208403.db2.gz FDZZXIFGGYSBIA-UHFFFAOYSA-N 1 0 336.863 3.269 20 10 EGCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203874983 1370296576 /nfs/dbraw/zinc/29/65/76/1370296576.db2.gz GPBADMOETQQPKL-UHFFFAOYSA-N 1 0 329.396 3.053 20 10 EGCDRO CN(Cc1ccc(O)c(O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001203883339 1370298144 /nfs/dbraw/zinc/29/81/44/1370298144.db2.gz IKXWFVLZWBYRCD-SFHVURJKSA-N 1 0 326.440 3.194 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1 ZINC001203930802 1370319159 /nfs/dbraw/zinc/31/91/59/1370319159.db2.gz IELWEMKIJLKTES-SZMVWBNQSA-N 1 0 345.487 3.240 20 10 EGCDRO Cc1ccc2nc(C3CC[NH+](Cc4ccc(N(C)C)cc4)CC3)nn2c1 ZINC001203932941 1370320323 /nfs/dbraw/zinc/32/03/23/1370320323.db2.gz DXXJBQALMMPMAG-UHFFFAOYSA-N 1 0 349.482 3.483 20 10 EGCDRO CCCc1noc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203936216 1370322691 /nfs/dbraw/zinc/32/26/91/1370322691.db2.gz BBHWMNUVZYRPAV-UHFFFAOYSA-N 1 0 328.460 3.468 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CC(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001203939348 1370323140 /nfs/dbraw/zinc/32/31/40/1370323140.db2.gz ACJCFKIGKCGBIF-UHFFFAOYSA-N 1 0 347.503 3.489 20 10 EGCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)CCS1 ZINC001203945914 1370324834 /nfs/dbraw/zinc/32/48/34/1370324834.db2.gz PFDJQMXAWDMZBG-QGZVFWFLSA-N 1 0 336.501 3.013 20 10 EGCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240541 1370419109 /nfs/dbraw/zinc/41/91/09/1370419109.db2.gz XKJGMADQFRUQBH-INIZCTEOSA-N 1 0 326.440 3.291 20 10 EGCDRO CN1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc(O)cc2O)CC1 ZINC001204280648 1370431175 /nfs/dbraw/zinc/43/11/75/1370431175.db2.gz AEWGQVJDGYTKGI-UHFFFAOYSA-N 1 0 344.430 3.333 20 10 EGCDRO CCc1ncnc2c1CC[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204322195 1370443659 /nfs/dbraw/zinc/44/36/59/1370443659.db2.gz JDOSRQMKLPTLCW-UHFFFAOYSA-N 1 0 336.483 3.240 20 10 EGCDRO CCC(=O)N(C)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329250 1370445500 /nfs/dbraw/zinc/44/55/00/1370445500.db2.gz IPFNJPSPEAMRRW-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)c(OC)c2)cc1 ZINC001204342525 1370448137 /nfs/dbraw/zinc/44/81/37/1370448137.db2.gz MQOZMKPREVLGEP-INIZCTEOSA-N 1 0 329.396 3.452 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cc(O)c1O ZINC001204345914 1370449672 /nfs/dbraw/zinc/44/96/72/1370449672.db2.gz YTKMJRGPHTYKGA-UHFFFAOYSA-N 1 0 342.439 3.339 20 10 EGCDRO COc1cc(C[N@H+](Cc2ccccc2)C2CCOCC2)cc(O)c1O ZINC001204344837 1370449697 /nfs/dbraw/zinc/44/96/97/1370449697.db2.gz JKUQXZLCWGKNPZ-UHFFFAOYSA-N 1 0 343.423 3.288 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(Br)cc(F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206026325 1370941946 /nfs/dbraw/zinc/94/19/46/1370941946.db2.gz RWFOAFSPDDENSJ-WDEREUQCSA-N 1 0 345.256 3.101 20 10 EGCDRO C[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CC[NH2+]1 ZINC001206397865 1371044041 /nfs/dbraw/zinc/04/40/41/1371044041.db2.gz YTQZOFNKRMUSHH-NSHDSACASA-N 1 0 335.245 3.102 20 10 EGCDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001117596215 1371055332 /nfs/dbraw/zinc/05/53/32/1371055332.db2.gz PQRWMUINERTTHX-QHCPKHFHSA-N 1 0 328.481 3.314 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206572587 1371096572 /nfs/dbraw/zinc/09/65/72/1371096572.db2.gz CUOSKBCGOXIMBK-MRXNPFEDSA-N 1 0 341.293 3.414 20 10 EGCDRO N[C@@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CCC1(F)F ZINC001206682804 1371131427 /nfs/dbraw/zinc/13/14/27/1371131427.db2.gz FJRVSSKMQRLVOG-GOSISDBHSA-N 1 0 348.393 3.140 20 10 EGCDRO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001118984394 1371260001 /nfs/dbraw/zinc/26/00/01/1371260001.db2.gz FGZLUKWDEUMBFJ-GOSISDBHSA-N 1 0 338.451 3.389 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(NC(=O)C3CC3)cc2)c1O ZINC001119509280 1371358160 /nfs/dbraw/zinc/35/81/60/1371358160.db2.gz CTQSKROSHNVEGB-UHFFFAOYSA-N 1 0 340.423 3.348 20 10 EGCDRO COc1ccc(CCC[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001207584996 1371443471 /nfs/dbraw/zinc/44/34/71/1371443471.db2.gz LWEILDOWIDFPKY-UHFFFAOYSA-N 1 0 327.424 3.487 20 10 EGCDRO COc1ccc(N2CC[NH+](CC3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC001209401519 1372093583 /nfs/dbraw/zinc/09/35/83/1372093583.db2.gz GDHYGIUTNCQKQV-IAGOWNOFSA-N 1 0 332.488 3.329 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)cc1 ZINC001209519042 1372127181 /nfs/dbraw/zinc/12/71/81/1372127181.db2.gz QRXYSVIUNCAHSL-NRFANRHFSA-N 1 0 339.483 3.001 20 10 EGCDRO Cc1cc(N)[nH+]cc1Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001209970066 1372244063 /nfs/dbraw/zinc/24/40/63/1372244063.db2.gz SKUKHVZATNWJDU-UHFFFAOYSA-N 1 0 345.358 3.197 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)CC2CCOCC2)cc1 ZINC001326442965 1388189820 /nfs/dbraw/zinc/18/98/20/1388189820.db2.gz KTUXMDLWOGTBJA-LJQANCHMSA-N 1 0 334.504 3.048 20 10 EGCDRO O=C1C=CC(=NNc2ccc(OC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2)C=C1 ZINC001218082875 1373557022 /nfs/dbraw/zinc/55/70/22/1373557022.db2.gz DRDKQFDMXQXJNB-UPRAQXHNSA-N 1 0 339.395 3.421 20 10 EGCDRO O=C1c2ccccc2C(=O)c2c(OC3CCC4(C[NH2+]C4)CC3)cccc21 ZINC001218263520 1373585132 /nfs/dbraw/zinc/58/51/32/1373585132.db2.gz HQOHCUDOJXMWMJ-UHFFFAOYSA-N 1 0 347.414 3.373 20 10 EGCDRO CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188251775 1388275422 /nfs/dbraw/zinc/27/54/22/1388275422.db2.gz POVMNFGONCMMMU-OAHLLOKOSA-N 1 0 345.447 3.089 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1O ZINC001231592856 1376274204 /nfs/dbraw/zinc/27/42/04/1376274204.db2.gz KZWNVQZZTDRDNG-WBVHZDCISA-N 1 0 343.496 3.254 20 10 EGCDRO Cc1cccc(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001231592484 1376274328 /nfs/dbraw/zinc/27/43/28/1376274328.db2.gz RQTDHPBHSWBTNV-IYBDPMFKSA-N 1 0 346.471 3.389 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)/C=C\C2CC2)cc1C ZINC001134009419 1376310141 /nfs/dbraw/zinc/31/01/41/1376310141.db2.gz VBQBUZZPHKNLNG-GPPWAPFKSA-N 1 0 330.472 3.343 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1Cl ZINC001231869980 1376330656 /nfs/dbraw/zinc/33/06/56/1376330656.db2.gz DBKAGMMYHGRGRC-UHFFFAOYSA-N 1 0 332.831 3.382 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)cc1Cl ZINC001231872265 1376333758 /nfs/dbraw/zinc/33/37/58/1376333758.db2.gz YADOGLPCDXNTSN-AWEZNQCLSA-N 1 0 333.819 3.187 20 10 EGCDRO CCc1noc(C2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)n1 ZINC001232262867 1376425433 /nfs/dbraw/zinc/42/54/33/1376425433.db2.gz UITPSAPNNGYMFP-UHFFFAOYSA-N 1 0 337.807 3.076 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001232269178 1376427069 /nfs/dbraw/zinc/42/70/69/1376427069.db2.gz SJAMWNHTGZBCPF-CQSZACIVSA-N 1 0 333.762 3.054 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC001232268094 1376427176 /nfs/dbraw/zinc/42/71/76/1376427176.db2.gz LXGDWXMODCPWTF-CQSZACIVSA-N 1 0 334.803 3.103 20 10 EGCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232268845 1376427528 /nfs/dbraw/zinc/42/75/28/1376427528.db2.gz UOJLWSINUJWYRQ-UHFFFAOYSA-N 1 0 341.835 3.307 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)cc(O)c3)CC2)c(C)c1 ZINC001232881832 1376529817 /nfs/dbraw/zinc/52/98/17/1376529817.db2.gz KULZDUSGXTZGSQ-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC001233286040 1376604960 /nfs/dbraw/zinc/60/49/60/1376604960.db2.gz CAZRBBLBEIAHKT-UHFFFAOYSA-N 1 0 339.483 3.403 20 10 EGCDRO Cc1nccnc1O[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287591 1376604992 /nfs/dbraw/zinc/60/49/92/1376604992.db2.gz YMUNFEYRAIYWCU-KRWDZBQOSA-N 1 0 341.455 3.441 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(n3nccc3C)CC2)c1O ZINC001233290658 1376605515 /nfs/dbraw/zinc/60/55/15/1376605515.db2.gz PMJUKVFZRBVEDN-UHFFFAOYSA-N 1 0 335.835 3.396 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(Oc3ccccn3)CC2)c1O ZINC001233289794 1376606596 /nfs/dbraw/zinc/60/65/96/1376606596.db2.gz PARNRYQUFXPXEA-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc(O)c(O)cc1O ZINC001233487703 1376652632 /nfs/dbraw/zinc/65/26/32/1376652632.db2.gz OYXXKHGMYIRRQF-UHFFFAOYSA-N 1 0 341.329 3.497 20 10 EGCDRO C[N@H+](Cc1cc(O)c(O)cc1O)Cc1ccccc1C(F)(F)F ZINC001233486078 1376653376 /nfs/dbraw/zinc/65/33/76/1376653376.db2.gz XINCSEBXCSZMKP-UHFFFAOYSA-N 1 0 327.302 3.454 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)CC2CCCC2)cc1C ZINC001134680241 1376653731 /nfs/dbraw/zinc/65/37/31/1376653731.db2.gz PQXMUKZGDPLFGY-MRXNPFEDSA-N 1 0 332.488 3.426 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCC[C@@]1(C)O ZINC001233726229 1376704034 /nfs/dbraw/zinc/70/40/34/1376704034.db2.gz ATHJKXVANGCJFJ-XHDPSFHLSA-N 1 0 333.350 3.274 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@]3(CNCCO3)C2)cc1 ZINC001235113245 1376846677 /nfs/dbraw/zinc/84/66/77/1376846677.db2.gz AWWWMCYBPRRRLG-NRFANRHFSA-N 1 0 339.483 3.049 20 10 EGCDRO COc1ccc2ccc(O)c(CN3CCCC[C@@]34CC[NH2+]C4)c2c1 ZINC001235119848 1376851301 /nfs/dbraw/zinc/85/13/01/1376851301.db2.gz SRHCRLSRCCPQLG-FQEVSTJZSA-N 1 0 326.440 3.272 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cc(F)c[nH]2)cc1C ZINC001135033150 1376859993 /nfs/dbraw/zinc/85/99/93/1376859993.db2.gz LNZOUOCNSZCQGW-KGLIPLIRSA-N 1 0 347.434 3.158 20 10 EGCDRO [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430888 1376871505 /nfs/dbraw/zinc/87/15/05/1376871505.db2.gz YKFKSKHZOLDWTO-QWHCGFSZSA-N 1 0 326.843 3.396 20 10 EGCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC001235817178 1376899895 /nfs/dbraw/zinc/89/98/95/1376899895.db2.gz ZMOFWXYERSSGSE-SFHVURJKSA-N 1 0 345.874 3.258 20 10 EGCDRO [NH3+][C@H]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC1(F)F ZINC001235912311 1376917597 /nfs/dbraw/zinc/91/75/97/1376917597.db2.gz CFPUWYQPCKXRCX-KRWDZBQOSA-N 1 0 336.357 3.367 20 10 EGCDRO CN(C)c1ccc(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001236270918 1376947919 /nfs/dbraw/zinc/94/79/19/1376947919.db2.gz PILXEVBEKJWMQX-FQEVSTJZSA-N 1 0 339.483 3.212 20 10 EGCDRO CCC[N@@H+](Cc1cc(F)cc(Br)c1[O-])C[C@H]1CC[NH2+]C1 ZINC001236843522 1376965446 /nfs/dbraw/zinc/96/54/46/1376965446.db2.gz PICQIQJEAYLWHQ-NSHDSACASA-N 1 0 345.256 3.115 20 10 EGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237053815 1376971470 /nfs/dbraw/zinc/97/14/70/1376971470.db2.gz QWULPEVCYOVUBQ-ZDUSSCGKSA-N 1 0 333.350 3.334 20 10 EGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCc2cccnc2C1 ZINC001237058801 1376973083 /nfs/dbraw/zinc/97/30/83/1376973083.db2.gz KSIJWDIBCUTPJP-UHFFFAOYSA-N 1 0 338.329 3.287 20 10 EGCDRO COC(=O)Cc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c(O)c1 ZINC001249208200 1377072738 /nfs/dbraw/zinc/07/27/38/1377072738.db2.gz PMYFXEITXSDORN-UHFFFAOYSA-N 1 0 325.408 3.272 20 10 EGCDRO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(CC(=O)OC)cc1O ZINC001249207838 1377072928 /nfs/dbraw/zinc/07/29/28/1377072928.db2.gz JQNJXZMUTBFASR-UHFFFAOYSA-N 1 0 343.423 3.138 20 10 EGCDRO Oc1cccc(F)c1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137839586 1377627907 /nfs/dbraw/zinc/62/79/07/1377627907.db2.gz DXSKMFSRHCPOGM-QZTJIDSGSA-N 1 0 340.442 3.485 20 10 EGCDRO Oc1cccc(F)c1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839587 1377628838 /nfs/dbraw/zinc/62/88/38/1377628838.db2.gz DXSKMFSRHCPOGM-ROUUACIJSA-N 1 0 340.442 3.485 20 10 EGCDRO Cc1cc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1ccccc1 ZINC001137857991 1377632578 /nfs/dbraw/zinc/63/25/78/1377632578.db2.gz RQEBGBVVNWXKPV-SFHVURJKSA-N 1 0 339.483 3.394 20 10 EGCDRO Oc1cc2c(cc1O)C[N@H+](Cc1c[nH]nc1-c1cccs1)CCC2 ZINC001138157288 1377685913 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O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]12 ZINC001140462290 1378067190 /nfs/dbraw/zinc/06/71/90/1378067190.db2.gz DOQOHNPSCRRKEW-CABCVRRESA-N 1 0 328.799 3.213 20 10 EGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1O ZINC001140464068 1378067471 /nfs/dbraw/zinc/06/74/71/1378067471.db2.gz ASJZGABLXWQMEC-UHFFFAOYSA-N 1 0 328.840 3.392 20 10 EGCDRO Oc1cc(Cl)ccc1C[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001140464432 1378068068 /nfs/dbraw/zinc/06/80/68/1378068068.db2.gz PSKIMNGMWGUVIJ-UHFFFAOYSA-N 1 0 337.782 3.018 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)C[C@H]1c1ccccc1 ZINC001140585314 1378090291 /nfs/dbraw/zinc/09/02/91/1378090291.db2.gz FDVUVOZYLBZWQD-GJZGRUSLSA-N 1 0 347.361 3.059 20 10 EGCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2O)N1CC1CCCC1 ZINC001273283882 1378094638 /nfs/dbraw/zinc/09/46/38/1378094638.db2.gz BAWJNLUVYGGJON-QZTJIDSGSA-N 1 0 346.446 3.287 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c1 ZINC001140620861 1378099445 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CN(C)c1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c(Cl)c1 ZINC001140924727 1378181685 /nfs/dbraw/zinc/18/16/85/1378181685.db2.gz SNQRBOCHPAXEGP-UHFFFAOYSA-N 1 0 335.879 3.041 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c(Cl)c1 ZINC001140925478 1378181732 /nfs/dbraw/zinc/18/17/32/1378181732.db2.gz BRCAMEIPNQFVNW-INIZCTEOSA-N 1 0 346.862 3.239 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001140947682 1378188075 /nfs/dbraw/zinc/18/80/75/1378188075.db2.gz AHFJWSBADURQEN-GDBMZVCRSA-N 1 0 332.444 3.142 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)c1 ZINC001140947776 1378188215 /nfs/dbraw/zinc/18/82/15/1378188215.db2.gz FMDXZYDQYXZRFL-HZPDHXFCSA-N 1 0 332.444 3.142 20 10 EGCDRO Cc1ccc(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001140949726 1378190675 /nfs/dbraw/zinc/19/06/75/1378190675.db2.gz JTOFIPGMXXNISA-PZJWPPBQSA-N 1 0 344.499 3.023 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC3(CCOC3(C)C)CC2)c(OC)c1 ZINC001141030634 1378212514 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CCOC(=O)[C@H]1CSCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143112138 1378542393 /nfs/dbraw/zinc/54/23/93/1378542393.db2.gz MGQZGNWLTFBHFR-OAHLLOKOSA-N 1 0 337.485 3.170 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2cc[nH]c2n1 ZINC001144179433 1378692851 /nfs/dbraw/zinc/69/28/51/1378692851.db2.gz FHBVJYNQLYJXKA-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO C[N@@H+](Cc1cc(Br)c(F)cc1[O-])CC1CC[NH+](C)CC1 ZINC001144299633 1378712729 /nfs/dbraw/zinc/71/27/29/1378712729.db2.gz DAJJLARVFHMUQC-UHFFFAOYSA-N 1 0 345.256 3.067 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@H](n2cncn2)C1 ZINC001327608981 1388567270 /nfs/dbraw/zinc/56/72/70/1388567270.db2.gz XRLOTRSIZXVNQF-SKDZVZGDSA-N 1 0 331.439 3.003 20 10 EGCDRO C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146661899 1378892448 /nfs/dbraw/zinc/89/24/48/1378892448.db2.gz DGKDNVRECXMEPU-STQMWFEESA-N 1 0 345.447 3.136 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc3ccccc3[nH]2)cc1C ZINC001150368557 1379539866 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20 10 EGCDRO Cc1ccc(C)n1-c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001163172489 1382983621 /nfs/dbraw/zinc/98/36/21/1382983621.db2.gz SSTLOWGFFUCSQZ-AHRSYUTCSA-N 1 0 325.456 3.131 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC(C)(C)C2)cc1C ZINC001166200385 1383401042 /nfs/dbraw/zinc/40/10/42/1383401042.db2.gz PNDDPKGLYZZDOM-KRWDZBQOSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2CC(C)C)cc1C ZINC001167008158 1383515825 /nfs/dbraw/zinc/51/58/25/1383515825.db2.gz MUHQXJJMJOLOKW-QZTJIDSGSA-N 1 0 332.488 3.282 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cccc4ccc(=O)oc43)cc2)CC1 ZINC001167434079 1383632676 /nfs/dbraw/zinc/63/26/76/1383632676.db2.gz AMHNVSFTAJISIY-UHFFFAOYSA-N 1 0 349.434 3.157 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cnc(C(C)(C)C)nc3)cc2)CC1 ZINC001167436825 1383633660 /nfs/dbraw/zinc/63/36/60/1383633660.db2.gz BDMJRCCPMIFEDS-UHFFFAOYSA-N 1 0 339.487 3.138 20 10 EGCDRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001168453622 1383910359 /nfs/dbraw/zinc/91/03/59/1383910359.db2.gz DZHONMRIYYZRAZ-MRXNPFEDSA-N 1 0 328.431 3.383 20 10 EGCDRO Clc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001168677201 1383967096 /nfs/dbraw/zinc/96/70/96/1383967096.db2.gz NWJZOMKIMKBRJC-KRWDZBQOSA-N 1 0 342.870 3.434 20 10 EGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001169433047 1384147845 /nfs/dbraw/zinc/14/78/45/1384147845.db2.gz QIAWQSOYLWFRGM-KRWDZBQOSA-N 1 0 331.504 3.414 20 10 EGCDRO Cc1cc(C)c(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1 ZINC001169745596 1384181741 /nfs/dbraw/zinc/18/17/41/1384181741.db2.gz MJWQZDXGZARSAB-SFHVURJKSA-N 1 0 338.451 3.403 20 10 EGCDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1ccc(N)cc1 ZINC001335738145 1388915465 /nfs/dbraw/zinc/91/54/65/1388915465.db2.gz WNGSPJLMROQLJB-UHFFFAOYSA-N 1 0 332.492 3.113 20 10 EGCDRO [NH3+]CCN(c1ccc2c(c1)NCCO2)C12CC3CC(CC(C3)C1)C2 ZINC001170624817 1384352632 /nfs/dbraw/zinc/35/26/32/1384352632.db2.gz NCOCHEIEVFQMPM-UHFFFAOYSA-N 1 0 327.472 3.225 20 10 EGCDRO Cc1cc(NCc2cc(Br)ccc2O)nc2c1C[NH2+]CC2 ZINC001171166199 1384458990 /nfs/dbraw/zinc/45/89/90/1384458990.db2.gz ATQXNAMISQRTNN-UHFFFAOYSA-N 1 0 348.244 3.116 20 10 EGCDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1cccc(O)c1O)CC2 ZINC001171296430 1384488190 /nfs/dbraw/zinc/48/81/90/1384488190.db2.gz AZBMHEGTEHCIEF-GFCCVEGCSA-N 1 0 333.815 3.407 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCN(CCCOC)CC1 ZINC001172254330 1384757053 /nfs/dbraw/zinc/75/70/53/1384757053.db2.gz KPKFHWAZUAPWQI-UHFFFAOYSA-N 1 0 333.520 3.075 20 10 EGCDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172855321 1384866054 /nfs/dbraw/zinc/86/60/54/1384866054.db2.gz YIJAJOZTDGDAEK-BTDLBPIBSA-N 1 0 339.794 3.145 20 10 EGCDRO COc1ccc(N2CC[NH+]([C@@H]3CCc4ncsc4C3)CC2)c(C)c1 ZINC001173145300 1384923693 /nfs/dbraw/zinc/92/36/93/1384923693.db2.gz KHWSFNFSUIPKTL-OAHLLOKOSA-N 1 0 343.496 3.140 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)c2cnco2)cc1C ZINC001174560983 1385119650 /nfs/dbraw/zinc/11/96/50/1385119650.db2.gz IFNKTHBJNISWQK-OAHLLOKOSA-N 1 0 345.443 3.070 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cccn2C(C)C)cc1C ZINC001176208417 1385513294 /nfs/dbraw/zinc/51/32/94/1385513294.db2.gz ZISMASWEJJAERP-UHFFFAOYSA-N 1 0 343.471 3.296 20 10 EGCDRO C[NH+](C)CCn1cc(Nc2ccc(Cc3ccc(N)cc3)cc2)cn1 ZINC001176449957 1385591286 /nfs/dbraw/zinc/59/12/86/1385591286.db2.gz XUONVFLQTIJIJZ-UHFFFAOYSA-N 1 0 335.455 3.361 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(CF)cc2)cc1C ZINC001177173792 1385844455 /nfs/dbraw/zinc/84/44/55/1385844455.db2.gz FTHQYPXRYGDDRV-UHFFFAOYSA-N 1 0 344.430 3.383 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC001319267487 1386032494 /nfs/dbraw/zinc/03/24/94/1386032494.db2.gz XNWHMYIFYNIRGJ-PKOBYXMFSA-N 1 0 332.513 3.431 20 10 EGCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001177820088 1386056376 /nfs/dbraw/zinc/05/63/76/1386056376.db2.gz SSZUCMNWFFJSQJ-CRAIPNDOSA-N 1 0 332.488 3.426 20 10 EGCDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC001320072126 1386491574 /nfs/dbraw/zinc/49/15/74/1386491574.db2.gz RWYOFXKOHDRDCT-ZIAGYGMSSA-N 1 0 327.266 3.117 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c1O ZINC001320302703 1386571591 /nfs/dbraw/zinc/57/15/91/1386571591.db2.gz OEAQUPQRHSYVFW-SNVBAGLBSA-N 1 0 329.824 3.264 20 10 EGCDRO COc1cc(C)c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001180208879 1386734324 /nfs/dbraw/zinc/73/43/24/1386734324.db2.gz RSNURSMKICIIDC-UHFFFAOYSA-N 1 0 335.444 3.263 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCC1 ZINC001180586967 1386843023 /nfs/dbraw/zinc/84/30/23/1386843023.db2.gz WJSVLVONEIMUAZ-RDTXWAMCSA-N 1 0 330.472 3.233 20 10 EGCDRO c1nnc([C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc2)[nH]1 ZINC001330533843 1389447156 /nfs/dbraw/zinc/44/71/56/1389447156.db2.gz RYXLPQXBUAMICW-HXUWFJFHSA-N 1 0 347.466 3.327 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC(c3ccc(C)cc3)=NO2)c1O ZINC001331578528 1389811556 /nfs/dbraw/zinc/81/15/56/1389811556.db2.gz CSEFSEOHODUZRW-KRWDZBQOSA-N 1 0 340.423 3.300 20 10 EGCDRO CN(c1ccc(CNc2nccnc2C[NH3+])cc1)C1CCCCC1 ZINC001339546827 1390062716 /nfs/dbraw/zinc/06/27/16/1390062716.db2.gz JFXSRRIAPGGJJX-UHFFFAOYSA-N 1 0 325.460 3.316 20 10 EGCDRO C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1cccnc1)c1ccccc1O ZINC001332486919 1390127601 /nfs/dbraw/zinc/12/76/01/1390127601.db2.gz CWYMTFVGMKKDQR-QAPCUYQASA-N 1 0 339.439 3.019 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1O ZINC001342935216 1390675058 /nfs/dbraw/zinc/67/50/58/1390675058.db2.gz OMBFFMIAUKOOGR-RKDXNWHRSA-N 1 0 338.757 3.072 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H](CC[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC001355054936 1392189819 /nfs/dbraw/zinc/18/98/19/1392189819.db2.gz TXPIVJIRMHEIEB-QGZVFWFLSA-N 1 0 325.456 3.213 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001754071724 1440538182 /nfs/dbraw/zinc/53/81/82/1440538182.db2.gz LUERTCDJRZWEDX-RBUKOAKNSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cccs2)cc1C ZINC001754091923 1440540733 /nfs/dbraw/zinc/54/07/33/1440540733.db2.gz MKUAMGHWVNZTBL-ONEGZZNKSA-N 1 0 330.453 3.141 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccc(C)o2)cc1C ZINC001755226831 1440786104 /nfs/dbraw/zinc/78/61/04/1440786104.db2.gz QHOJGMDQDONVSX-LSDHHAIUSA-N 1 0 330.428 3.202 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccc(C)o2)cc1C ZINC001755226828 1440786149 /nfs/dbraw/zinc/78/61/49/1440786149.db2.gz QHOJGMDQDONVSX-CABCVRRESA-N 1 0 330.428 3.202 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2ccns2)cc1C ZINC001755500598 1440862468 /nfs/dbraw/zinc/86/24/68/1440862468.db2.gz LQIGVBZNDBELOE-CQSZACIVSA-N 1 0 347.484 3.148 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(N2CCCCC2)cc1 ZINC000297407373 135730746 /nfs/dbraw/zinc/73/07/46/135730746.db2.gz SWRLXEIEPACMKY-QUCCMNQESA-N 1 0 345.531 3.174 20 10 EGCDRO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000003546913 452779404 /nfs/dbraw/zinc/77/94/04/452779404.db2.gz IZSRLBWHNNNAFJ-UHFFFAOYSA-N 1 0 337.322 3.354 20 10 EGCDRO C[C@@H](Sc1nccs1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000052914444 453849273 /nfs/dbraw/zinc/84/92/73/453849273.db2.gz IBNGNRUWDZGHHR-UKRRQHHQSA-N 1 0 347.509 3.014 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000066701238 453864194 /nfs/dbraw/zinc/86/41/94/453864194.db2.gz MWOGCNJFIQEBOR-MRXNPFEDSA-N 1 0 333.476 3.046 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cc1 ZINC000130875163 454222885 /nfs/dbraw/zinc/22/28/85/454222885.db2.gz BDKBRMKUTYVYQH-CQSZACIVSA-N 1 0 326.444 3.484 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](CC(C)C)N(C)C)CC2)cc1 ZINC000131863381 454293045 /nfs/dbraw/zinc/29/30/45/454293045.db2.gz VOUUODRMUWKCAA-IBGZPJMESA-N 1 0 333.520 3.230 20 10 EGCDRO CCCOc1ccc(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)c(O)c1 ZINC000121172566 454402390 /nfs/dbraw/zinc/40/23/90/454402390.db2.gz SUMLQCDMBXATPI-UHFFFAOYSA-N 1 0 342.439 3.173 20 10 EGCDRO CCc1nc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)cs1 ZINC000092504949 454575938 /nfs/dbraw/zinc/57/59/38/454575938.db2.gz RYCODSIJXFJPHF-UHFFFAOYSA-N 1 0 331.485 3.037 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000134886473 454603936 /nfs/dbraw/zinc/60/39/36/454603936.db2.gz IBZPWEMWGOSHGS-AUUYWEPGSA-N 1 0 346.446 3.183 20 10 EGCDRO CCCOc1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)c(O)c1 ZINC000092808903 454636254 /nfs/dbraw/zinc/63/62/54/454636254.db2.gz ZNVGPDGBXPOSPX-UHFFFAOYSA-N 1 0 329.444 3.294 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1O ZINC000093413311 454713032 /nfs/dbraw/zinc/71/30/32/454713032.db2.gz IGEKVIOUOMMZIB-INIZCTEOSA-N 1 0 341.455 3.065 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1 ZINC000093532274 454719604 /nfs/dbraw/zinc/71/96/04/454719604.db2.gz NGAGIFGZMGUXME-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000124329294 454719889 /nfs/dbraw/zinc/71/98/89/454719889.db2.gz UFXQKXZYVZEQIS-ZIAGYGMSSA-N 1 0 329.410 3.287 20 10 EGCDRO CCN(C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1)CC(F)(F)F ZINC000093770800 454734740 /nfs/dbraw/zinc/73/47/40/454734740.db2.gz HQNXWMLFVTUYGN-MRXNPFEDSA-N 1 0 343.437 3.459 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000093842188 454740012 /nfs/dbraw/zinc/74/00/12/454740012.db2.gz WEJNMUXLOMBBHH-SFHVURJKSA-N 1 0 349.471 3.341 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N2CCOCC2)c(F)c1 ZINC000125080724 454796009 /nfs/dbraw/zinc/79/60/09/454796009.db2.gz JRINUTZWQQUSCK-JYJIFUJCSA-N 1 0 348.462 3.271 20 10 EGCDRO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000109771293 454836072 /nfs/dbraw/zinc/83/60/72/454836072.db2.gz OHZUNJVENCOLDF-KGLIPLIRSA-N 1 0 330.403 3.229 20 10 EGCDRO Oc1ccccc1C[N@H+](CCCCCn1cccn1)C[C@H]1CCCO1 ZINC000109761980 454836146 /nfs/dbraw/zinc/83/61/46/454836146.db2.gz MWYPPJUAGXWRCH-LJQANCHMSA-N 1 0 343.471 3.440 20 10 EGCDRO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000164382888 454881226 /nfs/dbraw/zinc/88/12/26/454881226.db2.gz WTDCJPPEUPHCQU-UHFFFAOYSA-N 1 0 348.418 3.173 20 10 EGCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000177611738 454883091 /nfs/dbraw/zinc/88/30/91/454883091.db2.gz IPJBWOGPZGOMAZ-QGZVFWFLSA-N 1 0 329.488 3.023 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000113359210 454924116 /nfs/dbraw/zinc/92/41/16/454924116.db2.gz GLNULGQMGCYIJM-KRWDZBQOSA-N 1 0 331.847 3.195 20 10 EGCDRO C[C@H]([NH2+]CCOc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000155221935 454976699 /nfs/dbraw/zinc/97/66/99/454976699.db2.gz IWTQHHPGUNATPU-KRWDZBQOSA-N 1 0 326.440 3.253 20 10 EGCDRO CC[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(Br)ccc1O ZINC000155386614 454995753 /nfs/dbraw/zinc/99/57/53/454995753.db2.gz GAZVNLULWDJRDK-CYBMUJFWSA-N 1 0 343.265 3.064 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151854020 455039664 /nfs/dbraw/zinc/03/96/64/455039664.db2.gz BTYCFKQAVKNVQR-DLBZAZTESA-N 1 0 349.494 3.187 20 10 EGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000179555273 455057579 /nfs/dbraw/zinc/05/75/79/455057579.db2.gz VALKUAIZBWDUJQ-MRXNPFEDSA-N 1 0 326.444 3.090 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000157071788 455163830 /nfs/dbraw/zinc/16/38/30/455163830.db2.gz GGKZOVBSDYRJRX-OAHLLOKOSA-N 1 0 344.459 3.409 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1C ZINC000264982310 455298025 /nfs/dbraw/zinc/29/80/25/455298025.db2.gz UZQKFYYFHTUGBT-UHFFFAOYSA-N 1 0 342.439 3.246 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1 ZINC000265133339 455300989 /nfs/dbraw/zinc/30/09/89/455300989.db2.gz JKXHRGWMIMQOJO-GOSISDBHSA-N 1 0 337.366 3.066 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cccc2nccn21)C[C@@H]1CCCO1 ZINC000183513059 455301667 /nfs/dbraw/zinc/30/16/67/455301667.db2.gz LJSUMGRVUOCITM-SFHVURJKSA-N 1 0 337.423 3.221 20 10 EGCDRO CCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265871607 455396745 /nfs/dbraw/zinc/39/67/45/455396745.db2.gz JLBDJFCURLTNRX-FSPWUOQZSA-N 1 0 333.428 3.146 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)Cc2cccc(N(C)C)c2)cc1OC ZINC000160455120 455460965 /nfs/dbraw/zinc/46/09/65/455460965.db2.gz REGPGXXNJUCQSE-UHFFFAOYSA-N 1 0 330.428 3.107 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c(O)c1 ZINC000185063414 455493902 /nfs/dbraw/zinc/49/39/02/455493902.db2.gz YCEHZLGECKZMNG-KRWDZBQOSA-N 1 0 340.467 3.384 20 10 EGCDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000185061946 455494285 /nfs/dbraw/zinc/49/42/85/455494285.db2.gz DXCMOWGBLRUAMH-OAHLLOKOSA-N 1 0 330.472 3.324 20 10 EGCDRO COc1cccc(CN[C@H](C)c2nc(Cc3ccccc3)no2)c1O ZINC000191600595 455501978 /nfs/dbraw/zinc/50/19/78/455501978.db2.gz KAKWVJHVCRVUBI-CYBMUJFWSA-N 1 0 339.395 3.225 20 10 EGCDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000185120822 455505329 /nfs/dbraw/zinc/50/53/29/455505329.db2.gz PGWNVXSYHURZKQ-KYNGSXCRSA-N 1 0 341.430 3.043 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000185170566 455514759 /nfs/dbraw/zinc/51/47/59/455514759.db2.gz SLYCQUIVWFKGEH-OLZOCXBDSA-N 1 0 349.452 3.216 20 10 EGCDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc(Br)ccc1O ZINC000185312807 455537831 /nfs/dbraw/zinc/53/78/31/455537831.db2.gz DCASBHYZYXVPJQ-NSHDSACASA-N 1 0 338.249 3.172 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000185375176 455550520 /nfs/dbraw/zinc/55/05/20/455550520.db2.gz DGYYCIHOZYAHKP-STQMWFEESA-N 1 0 337.366 3.069 20 10 EGCDRO CN1CCCc2cc(CNC(=O)c3sccc3C[NH+](C)C)ccc21 ZINC000268195502 455615996 /nfs/dbraw/zinc/61/59/96/455615996.db2.gz XZYCCQLJBILKLR-UHFFFAOYSA-N 1 0 343.496 3.122 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)c(O)c1 ZINC000284145661 455642281 /nfs/dbraw/zinc/64/22/81/455642281.db2.gz VIPFGVDKKXYJNR-UHFFFAOYSA-N 1 0 338.354 3.467 20 10 EGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284162624 455644144 /nfs/dbraw/zinc/64/41/44/455644144.db2.gz PXBJEAAVLQVGFM-LIRRHRJNSA-N 1 0 345.439 3.410 20 10 EGCDRO C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271462012 455646510 /nfs/dbraw/zinc/64/65/10/455646510.db2.gz HOMKMBOREGHPOY-OAHLLOKOSA-N 1 0 336.451 3.130 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000284260704 455659324 /nfs/dbraw/zinc/65/93/24/455659324.db2.gz GILBPSLISCLDMO-IFXJQAMLSA-N 1 0 344.455 3.363 20 10 EGCDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2)ncn1 ZINC000186023454 455677648 /nfs/dbraw/zinc/67/76/48/455677648.db2.gz FTIIVIMCWHLEBX-RDJZCZTQSA-N 1 0 340.471 3.373 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1OC ZINC000284460293 455689690 /nfs/dbraw/zinc/68/96/90/455689690.db2.gz QPVIHQYJRGQOCT-CABCVRRESA-N 1 0 346.254 3.425 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc1F ZINC000292877979 455764784 /nfs/dbraw/zinc/76/47/84/455764784.db2.gz BVNVETARQVGQCF-GOSISDBHSA-N 1 0 343.446 3.378 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c1O ZINC000271811250 455769583 /nfs/dbraw/zinc/76/95/83/455769583.db2.gz KVMMYGBGSRRLFC-RYUDHWBXSA-N 1 0 328.250 3.368 20 10 EGCDRO Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1N(C)C ZINC000293003635 455770222 /nfs/dbraw/zinc/77/02/22/455770222.db2.gz HAJLGEVABZZYNZ-SFHVURJKSA-N 1 0 331.504 3.045 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186450614 455771047 /nfs/dbraw/zinc/77/10/47/455771047.db2.gz ZVDGRQJQEXMESB-HXUWFJFHSA-N 1 0 325.408 3.422 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000294231396 455808477 /nfs/dbraw/zinc/80/84/77/455808477.db2.gz XSTMJOJQIXMRPD-PKOBYXMFSA-N 1 0 329.488 3.057 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)ccc1N(C)C ZINC000294228215 455808530 /nfs/dbraw/zinc/80/85/30/455808530.db2.gz SRNLLDPHIJRONI-IBGZPJMESA-N 1 0 325.456 3.247 20 10 EGCDRO O=C(C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)NCC(F)F ZINC000294525888 455818336 /nfs/dbraw/zinc/81/83/36/455818336.db2.gz ZOASBFMZRVGOTE-MRXNPFEDSA-N 1 0 348.393 3.037 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000269244127 455820775 /nfs/dbraw/zinc/82/07/75/455820775.db2.gz ZEJUCEXHTJZZDP-KPZWWZAWSA-N 1 0 329.419 3.043 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000294883631 455831421 /nfs/dbraw/zinc/83/14/21/455831421.db2.gz ALQRRMUUGSVQPZ-RTWAWAEBSA-N 1 0 344.499 3.445 20 10 EGCDRO COC1CCN(c2ccc(C[NH+]3CCC(CCCO)CC3)cc2)CC1 ZINC000295040129 455836660 /nfs/dbraw/zinc/83/66/60/455836660.db2.gz SPPVWEVVMAQFSU-UHFFFAOYSA-N 1 0 346.515 3.286 20 10 EGCDRO COC[C@H](C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)OC ZINC000295402777 455848152 /nfs/dbraw/zinc/84/81/52/455848152.db2.gz MJDYYNBPZWNEPF-KRWDZBQOSA-N 1 0 334.485 3.136 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)OC(C)(C)C3)cc2)CC1 ZINC000295417414 455848808 /nfs/dbraw/zinc/84/88/08/455848808.db2.gz DSHRZCHWEDTRBF-INIZCTEOSA-N 1 0 332.488 3.301 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2F)C[C@@H](C)O1 ZINC000278844615 455850014 /nfs/dbraw/zinc/85/00/14/455850014.db2.gz KHRSSBVQQYAGQI-BFYDXBDKSA-N 1 0 334.435 3.222 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1nnc3ccc(C(F)(F)F)cn31)CC2 ZINC000296189385 455875457 /nfs/dbraw/zinc/87/54/57/455875457.db2.gz YMUZLCHOQOQLRN-GFCCVEGCSA-N 1 0 348.328 3.231 20 10 EGCDRO C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1O ZINC000279928222 455877633 /nfs/dbraw/zinc/87/76/33/455877633.db2.gz ANBOXIFVFCXSNV-LBPRGKRZSA-N 1 0 338.249 3.482 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccn(C)c3)cc2F)C[C@H](C)O1 ZINC000270623844 455998458 /nfs/dbraw/zinc/99/84/58/455998458.db2.gz KQGPVVPZZJCFEY-GASCZTMLSA-N 1 0 331.435 3.068 20 10 EGCDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000281008572 456108298 /nfs/dbraw/zinc/10/82/98/456108298.db2.gz YJOFVPPMCVAKAU-YSIASYRMSA-N 1 0 346.515 3.363 20 10 EGCDRO COC[C@]1(C[NH2+][C@H](C)c2cc(F)ccc2O)OCCc2ccccc21 ZINC000289802796 456143257 /nfs/dbraw/zinc/14/32/57/456143257.db2.gz OBFDESDAVJQSMA-VLIAUNLRSA-N 1 0 345.414 3.297 20 10 EGCDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273351859 456223743 /nfs/dbraw/zinc/22/37/43/456223743.db2.gz BZFSPGUGTPRNED-OAHLLOKOSA-N 1 0 342.439 3.098 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1O ZINC000273374656 456226584 /nfs/dbraw/zinc/22/65/84/456226584.db2.gz GWVCIOMODIOJBZ-AWEZNQCLSA-N 1 0 330.403 3.219 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273439646 456230161 /nfs/dbraw/zinc/23/01/61/456230161.db2.gz YBHSGRIOLZVKCH-HNNXBMFYSA-N 1 0 330.428 3.280 20 10 EGCDRO COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000273516651 456235794 /nfs/dbraw/zinc/23/57/94/456235794.db2.gz SOQUUIZQPJWJAC-CYBMUJFWSA-N 1 0 344.411 3.472 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CC2([C@H](C)CCO)CCC2)c1O ZINC000273733149 456243593 /nfs/dbraw/zinc/24/35/93/456243593.db2.gz KQPWWNONRUVNBO-GFCCVEGCSA-N 1 0 327.852 3.333 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000290161778 456256741 /nfs/dbraw/zinc/25/67/41/456256741.db2.gz DGGQFWSJCZWOQG-CQSZACIVSA-N 1 0 347.434 3.108 20 10 EGCDRO COCCOCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000290167631 456257637 /nfs/dbraw/zinc/25/76/37/456257637.db2.gz MNZBXXPGIRFDGB-UHFFFAOYSA-N 1 0 345.439 3.066 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000275368081 456274141 /nfs/dbraw/zinc/27/41/41/456274141.db2.gz UZLFBXSWQPVPCX-NEPJUHHUSA-N 1 0 338.249 3.399 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000275817534 456320934 /nfs/dbraw/zinc/32/09/34/456320934.db2.gz DGJXZSJXMWCRHI-OAHLLOKOSA-N 1 0 327.476 3.104 20 10 EGCDRO CCOc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1O ZINC000282063203 456404096 /nfs/dbraw/zinc/40/40/96/456404096.db2.gz BKGOLNMABBQWMO-UHFFFAOYSA-N 1 0 333.457 3.006 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000305141269 456529937 /nfs/dbraw/zinc/52/99/37/456529937.db2.gz QDQGEFXGSGDUOY-HXUWFJFHSA-N 1 0 344.430 3.126 20 10 EGCDRO COCCOCc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000291354574 456617101 /nfs/dbraw/zinc/61/71/01/456617101.db2.gz XOYLFVPHWDFXIG-OAHLLOKOSA-N 1 0 345.439 3.415 20 10 EGCDRO COCC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000291626380 456699854 /nfs/dbraw/zinc/69/98/54/456699854.db2.gz AAJMYJYAMZDSJT-UHFFFAOYSA-N 1 0 332.488 3.210 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000291953033 456809247 /nfs/dbraw/zinc/80/92/47/456809247.db2.gz VRPXHVWCEONKBL-GOSISDBHSA-N 1 0 329.488 3.168 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)CCCC[NH3+])c2C)cc1 ZINC000292089982 456852555 /nfs/dbraw/zinc/85/25/55/456852555.db2.gz NDBUUKAYUJMSRQ-CQSZACIVSA-N 1 0 343.471 3.350 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000363851288 457454234 /nfs/dbraw/zinc/45/42/34/457454234.db2.gz QLMVUULPDAJBAH-ZDUSSCGKSA-N 1 0 325.836 3.063 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000368036112 458007040 /nfs/dbraw/zinc/00/70/40/458007040.db2.gz IDWWKEDDOBLWCQ-AABGKKOBSA-N 1 0 339.435 3.405 20 10 EGCDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000372973838 458362476 /nfs/dbraw/zinc/36/24/76/458362476.db2.gz KKXWVNLLEVRWHJ-INIZCTEOSA-N 1 0 347.256 3.431 20 10 EGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000460671784 458530285 /nfs/dbraw/zinc/53/02/85/458530285.db2.gz BYJFFQWJLCVEJU-HNNXBMFYSA-N 1 0 344.503 3.406 20 10 EGCDRO CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccc2ccccc21 ZINC000592504942 459616886 /nfs/dbraw/zinc/61/68/86/459616886.db2.gz DTAJARQXXVIITR-OAHLLOKOSA-N 1 0 334.423 3.149 20 10 EGCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)c3ccc(F)c(F)c3)ccc21 ZINC000727643944 574680151 /nfs/dbraw/zinc/68/01/51/574680151.db2.gz QXKVAOCFTCNSOG-IBGZPJMESA-N 1 0 332.394 3.170 20 10 EGCDRO Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000728550601 574758398 /nfs/dbraw/zinc/75/83/98/574758398.db2.gz SNFMWTIPZPWBPI-UHFFFAOYSA-N 1 0 343.446 3.401 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000730258077 574963245 /nfs/dbraw/zinc/96/32/45/574963245.db2.gz YCQALTOLXPUQHI-CQSZACIVSA-N 1 0 343.427 3.039 20 10 EGCDRO O=C(NCc1ccccc1O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000731545183 575080083 /nfs/dbraw/zinc/08/00/83/575080083.db2.gz WBMQBKFSELEBQU-SFHVURJKSA-N 1 0 345.487 3.236 20 10 EGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732821009 575289831 /nfs/dbraw/zinc/28/98/31/575289831.db2.gz SSTCBTQUMHJALY-HNAYVOBHSA-N 1 0 349.475 3.472 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](CCc1cccc(F)c1)C1CC1)OCO2 ZINC000733789479 575389569 /nfs/dbraw/zinc/38/95/69/575389569.db2.gz UBYYOWWBKGKUIP-UHFFFAOYSA-N 1 0 329.371 3.467 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC000741753789 576717222 /nfs/dbraw/zinc/71/72/22/576717222.db2.gz BPSOFHRYKXLVHW-GOSISDBHSA-N 1 0 331.504 3.127 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000743869821 576817940 /nfs/dbraw/zinc/81/79/40/576817940.db2.gz BOMIFILKAYPNNU-IXDOHACOSA-N 1 0 332.488 3.497 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(Cl)cc1O ZINC000841751251 1321306054 /nfs/dbraw/zinc/30/60/54/1321306054.db2.gz GOSBPGRRVZHBRK-ZDUSSCGKSA-N 1 0 347.846 3.128 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccccc2F)[NH+](C)C)cc1 ZINC000038635604 1291403109 /nfs/dbraw/zinc/40/31/09/1291403109.db2.gz NKDDYQZNGPZKKW-GOSISDBHSA-N 1 0 344.434 3.316 20 10 EGCDRO [O-]c1c(Br)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843045025 1321460345 /nfs/dbraw/zinc/46/03/45/1321460345.db2.gz GKGNAOVFHKUHFV-HNNXBMFYSA-N 1 0 339.277 3.119 20 10 EGCDRO COc1cc(N(C)C[C@H]2CCCC[N@@H+]2C(C)C)cc(OC)c1OC ZINC000827883653 1292392917 /nfs/dbraw/zinc/39/29/17/1292392917.db2.gz LYTQJNUNKPQWOM-OAHLLOKOSA-N 1 0 336.476 3.412 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)ccc1N1CCCCC1 ZINC000828978861 1292525505 /nfs/dbraw/zinc/52/55/05/1292525505.db2.gz HVFNVNDYKMNHNO-SFHVURJKSA-N 1 0 325.460 3.024 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(CNC(=O)O3)CC2)ccc1N1CCCCC1 ZINC000829100395 1292539900 /nfs/dbraw/zinc/53/99/00/1292539900.db2.gz RYVODNOCGDPFAI-UHFFFAOYSA-N 1 0 343.471 3.060 20 10 EGCDRO CCOC[C@@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)C(C)C ZINC000829634699 1292593874 /nfs/dbraw/zinc/59/38/74/1292593874.db2.gz KSCAOMOPPATXFW-HXUWFJFHSA-N 1 0 334.504 3.453 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000090087768 1292786997 /nfs/dbraw/zinc/78/69/97/1292786997.db2.gz SOUSHSXYXGENEN-LSDHHAIUSA-N 1 0 338.467 3.110 20 10 EGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000090403457 1292792835 /nfs/dbraw/zinc/79/28/35/1292792835.db2.gz QJKCWVDFEWOBQK-LBPRGKRZSA-N 1 0 335.448 3.278 20 10 EGCDRO COC(=O)COc1c(C)cc(C[N@H+](C)Cc2ccccc2O)cc1C ZINC000091974731 1292850188 /nfs/dbraw/zinc/85/01/88/1292850188.db2.gz BMMQGRSYCPBQAT-UHFFFAOYSA-N 1 0 343.423 3.193 20 10 EGCDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093558765 1292925320 /nfs/dbraw/zinc/92/53/20/1292925320.db2.gz SXEMPXLOIXTDHN-AWEZNQCLSA-N 1 0 326.481 3.236 20 10 EGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000093605246 1292925337 /nfs/dbraw/zinc/92/53/37/1292925337.db2.gz QCQYPAWGPYOPNJ-MOPGFXCFSA-N 1 0 332.488 3.159 20 10 EGCDRO COc1cccc(C[N@@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)c1O ZINC000093611382 1292926462 /nfs/dbraw/zinc/92/64/62/1292926462.db2.gz OHCBBGDSPDUPMF-KRWDZBQOSA-N 1 0 340.467 3.497 20 10 EGCDRO Cc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1Cl ZINC000832265904 1292978586 /nfs/dbraw/zinc/97/85/86/1292978586.db2.gz BGAWMHQQMJHJJD-MRXNPFEDSA-N 1 0 331.847 3.144 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](c2ccccc2)C2CC2)cc1 ZINC000832267476 1292979638 /nfs/dbraw/zinc/97/96/38/1292979638.db2.gz SWORDCJHLAFIKH-WOJBJXKFSA-N 1 0 337.467 3.062 20 10 EGCDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1F ZINC000832280821 1292981246 /nfs/dbraw/zinc/98/12/46/1292981246.db2.gz QXPDMBRDZFSLIH-KUHUBIRLSA-N 1 0 343.446 3.202 20 10 EGCDRO Cc1cc(Cl)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000832284017 1292981960 /nfs/dbraw/zinc/98/19/60/1292981960.db2.gz GDMAMJGDMCNZNY-GOSISDBHSA-N 1 0 345.874 3.453 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000832286371 1292982080 /nfs/dbraw/zinc/98/20/80/1292982080.db2.gz YSHOATJSROKZLS-IXYLRAAXSA-N 1 0 341.499 3.085 20 10 EGCDRO CCc1sc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000832284371 1292982333 /nfs/dbraw/zinc/98/23/33/1292982333.db2.gz JSXUVHZITPPOPL-HNNXBMFYSA-N 1 0 331.485 3.115 20 10 EGCDRO COc1ccc(NC(=O)CN(C)Cc2ccccc2O)cc1Cl ZINC000111235152 1293101920 /nfs/dbraw/zinc/10/19/20/1293101920.db2.gz FCXUWIGRNDQOBN-UHFFFAOYSA-N 1 0 334.803 3.125 20 10 EGCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCC1 ZINC000834523046 1293109899 /nfs/dbraw/zinc/10/98/99/1293109899.db2.gz OQQPNQDQQFPNFY-UYAOXDASSA-N 1 0 343.515 3.447 20 10 EGCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000834672776 1293131595 /nfs/dbraw/zinc/13/15/95/1293131595.db2.gz JITFFSKUEIMGEQ-INDMIFKZSA-N 1 0 348.446 3.126 20 10 EGCDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1c1ccccc1F ZINC000834693184 1293132869 /nfs/dbraw/zinc/13/28/69/1293132869.db2.gz LWFIOKMONQVBJS-CVEARBPZSA-N 1 0 340.398 3.304 20 10 EGCDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834832278 1293155126 /nfs/dbraw/zinc/15/51/26/1293155126.db2.gz NOSFRFCRIZVCQM-GJZGRUSLSA-N 1 0 340.895 3.236 20 10 EGCDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834880729 1293162648 /nfs/dbraw/zinc/16/26/48/1293162648.db2.gz DEHIHXRNZSIDHA-XKGZKEIXSA-N 1 0 332.488 3.379 20 10 EGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000834909051 1293173246 /nfs/dbraw/zinc/17/32/46/1293173246.db2.gz JIAMMTDBXVXSDG-INIZCTEOSA-N 1 0 343.446 3.259 20 10 EGCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000834911292 1293174288 /nfs/dbraw/zinc/17/42/88/1293174288.db2.gz LPNYQXDQXTUBQH-ZFWWWQNUSA-N 1 0 326.444 3.134 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1 ZINC000834915141 1293176034 /nfs/dbraw/zinc/17/60/34/1293176034.db2.gz PZIVCQXFHASBFG-NVXWUHKLSA-N 1 0 329.440 3.272 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116439437 1293206103 /nfs/dbraw/zinc/20/61/03/1293206103.db2.gz NLHRZTHKSUEADQ-GOSISDBHSA-N 1 0 348.535 3.260 20 10 EGCDRO CCOC(=O)CCCCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000117873957 1293226064 /nfs/dbraw/zinc/22/60/64/1293226064.db2.gz NQYXFSCDNWPUOB-UHFFFAOYSA-N 1 0 348.487 3.331 20 10 EGCDRO CCn1nccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000119214690 1293260215 /nfs/dbraw/zinc/26/02/15/1293260215.db2.gz BARSJDBTNCTAPR-MRXNPFEDSA-N 1 0 348.878 3.016 20 10 EGCDRO CCOc1cccc(C[N@H+](C)CCOc2ccc(OC)cc2)c1O ZINC000119357151 1293267094 /nfs/dbraw/zinc/26/70/94/1293267094.db2.gz FDSUGSAWABDYNB-UHFFFAOYSA-N 1 0 331.412 3.310 20 10 EGCDRO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121048245 1293352685 /nfs/dbraw/zinc/35/26/85/1293352685.db2.gz GBIZXCSDRLIBSZ-INIZCTEOSA-N 1 0 335.444 3.105 20 10 EGCDRO C[C@H]1CCC[C@](C[NH2+]Cc2ccc(N3CCOCC3)cc2)(N(C)C)C1 ZINC000129424907 1293624240 /nfs/dbraw/zinc/62/42/40/1293624240.db2.gz OMUDNOZNHJZXQX-RXVVDRJESA-N 1 0 345.531 3.123 20 10 EGCDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000129889333 1293637631 /nfs/dbraw/zinc/63/76/31/1293637631.db2.gz WPNIASFFJSCOIJ-OAHLLOKOSA-N 1 0 335.467 3.383 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000130275832 1293650387 /nfs/dbraw/zinc/65/03/87/1293650387.db2.gz WFKNNMIZQMHTRY-UHFFFAOYSA-N 1 0 330.863 3.123 20 10 EGCDRO CN(c1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)cc1)C1CCCCC1 ZINC000130586483 1293662070 /nfs/dbraw/zinc/66/20/70/1293662070.db2.gz MYCBSDGSSLKQNN-KRWDZBQOSA-N 1 0 329.488 3.071 20 10 EGCDRO FC(F)(F)c1ccc(OCC[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000152206573 1293958885 /nfs/dbraw/zinc/95/88/85/1293958885.db2.gz QABIGHRALCWOGV-UHFFFAOYSA-N 1 0 338.329 3.204 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000152561861 1293975068 /nfs/dbraw/zinc/97/50/68/1293975068.db2.gz YGHQYDQOBIPQIK-AZUAARDMSA-N 1 0 346.446 3.372 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1C(C)C ZINC000154977433 1294079189 /nfs/dbraw/zinc/07/91/89/1294079189.db2.gz MDBJCJRHJMQBEW-MRXNPFEDSA-N 1 0 328.460 3.328 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000155342445 1294093621 /nfs/dbraw/zinc/09/36/21/1294093621.db2.gz RRBGQHGVYASWCY-GOSISDBHSA-N 1 0 345.531 3.438 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)cc1F ZINC000155600068 1294105761 /nfs/dbraw/zinc/10/57/61/1294105761.db2.gz CJQYLERONPWYIX-QGZVFWFLSA-N 1 0 335.467 3.020 20 10 EGCDRO CC[N@@H+](Cc1cccc(OC)c1O)C[C@H]1COc2ccccc2O1 ZINC000160953684 1294281774 /nfs/dbraw/zinc/28/17/74/1294281774.db2.gz KHNGFICVWLQEBS-HNNXBMFYSA-N 1 0 329.396 3.063 20 10 EGCDRO CCC[NH+]1CCC(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000161604057 1294296125 /nfs/dbraw/zinc/29/61/25/1294296125.db2.gz DBZDDGQJXGQXNA-MRXNPFEDSA-N 1 0 349.494 3.187 20 10 EGCDRO CCCCN(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163530029 1294335765 /nfs/dbraw/zinc/33/57/65/1294335765.db2.gz OYCISPLCRXFQBM-MRXNPFEDSA-N 1 0 337.483 3.045 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000171720417 1294415681 /nfs/dbraw/zinc/41/56/81/1294415681.db2.gz YNUQSVCPXCLOQO-CYBMUJFWSA-N 1 0 343.427 3.345 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000172485906 1294437788 /nfs/dbraw/zinc/43/77/88/1294437788.db2.gz AVGFQMBIHIGRTQ-KRWDZBQOSA-N 1 0 332.488 3.456 20 10 EGCDRO C[C@@H](C(=O)NCCCSc1nccs1)[NH+]1CCCCCC1 ZINC000173561367 1294466091 /nfs/dbraw/zinc/46/60/91/1294466091.db2.gz MKEYBGKWIZKQNE-ZDUSSCGKSA-N 1 0 327.519 3.006 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000177963783 1294706561 /nfs/dbraw/zinc/70/65/61/1294706561.db2.gz SPQVURHKCHXEMV-KRWDZBQOSA-N 1 0 339.483 3.440 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000178712141 1294751762 /nfs/dbraw/zinc/75/17/62/1294751762.db2.gz LTWJLOKFRMXRTK-FUHWJXTLSA-N 1 0 331.504 3.175 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1F ZINC000179369329 1294790364 /nfs/dbraw/zinc/79/03/64/1294790364.db2.gz XYABFEDRQUOGNK-INIZCTEOSA-N 1 0 336.451 3.257 20 10 EGCDRO COc1ccc(O)c(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1 ZINC000180242821 1294873981 /nfs/dbraw/zinc/87/39/81/1294873981.db2.gz HCCGDICTYZZKBU-LJQANCHMSA-N 1 0 327.424 3.273 20 10 EGCDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c1 ZINC000180328620 1294879978 /nfs/dbraw/zinc/87/99/78/1294879978.db2.gz YSFUMKOUQHANEN-IBGZPJMESA-N 1 0 329.440 3.420 20 10 EGCDRO CCc1noc(-c2ccc(CC[NH2+]Cc3cc(F)ccc3O)cc2)n1 ZINC000180699715 1294909029 /nfs/dbraw/zinc/90/90/29/1294909029.db2.gz RGSAUHPNPSSKTO-UHFFFAOYSA-N 1 0 341.386 3.476 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c1 ZINC000182407529 1295043377 /nfs/dbraw/zinc/04/33/77/1295043377.db2.gz LYOAAVXXOKXURK-JKSUJKDBSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000182463209 1295050035 /nfs/dbraw/zinc/05/00/35/1295050035.db2.gz GSJXLPIZVZRRAZ-ZDUSSCGKSA-N 1 0 346.383 3.429 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)ccc3F)c2)CC1 ZINC000184265114 1295185107 /nfs/dbraw/zinc/18/51/07/1295185107.db2.gz DFQZYUCFTHNRLJ-UHFFFAOYSA-N 1 0 345.393 3.359 20 10 EGCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(C)cc(C)c2O)cc1 ZINC000184894922 1295226342 /nfs/dbraw/zinc/22/63/42/1295226342.db2.gz VAFOEASOQXDVSI-UHFFFAOYSA-N 1 0 343.423 3.193 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)cc1C ZINC000184933102 1295229561 /nfs/dbraw/zinc/22/95/61/1295229561.db2.gz BXAQXTOAWIAFQT-UHFFFAOYSA-N 1 0 340.471 3.245 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000189611324 1295533463 /nfs/dbraw/zinc/53/34/63/1295533463.db2.gz LFASMGGZADBDAZ-GDBMZVCRSA-N 1 0 330.394 3.326 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000189718664 1295539471 /nfs/dbraw/zinc/53/94/71/1295539471.db2.gz GKOOSPGPAQRCFE-UHFFFAOYSA-N 1 0 346.519 3.159 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)[C@@H]1CO ZINC000191179210 1295656386 /nfs/dbraw/zinc/65/63/86/1295656386.db2.gz BVOJFXLAPDVTJX-DNVCBOLYSA-N 1 0 327.424 3.174 20 10 EGCDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000191719859 1295704849 /nfs/dbraw/zinc/70/48/49/1295704849.db2.gz MMTNKUQSBDBSRK-IIBYNOLFSA-N 1 0 325.452 3.341 20 10 EGCDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000215926917 1296119266 /nfs/dbraw/zinc/11/92/66/1296119266.db2.gz DDUAAAKMURSWIO-GPMSIDNRSA-N 1 0 331.504 3.125 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)c2C)cc1 ZINC000237505762 1296248549 /nfs/dbraw/zinc/24/85/49/1296248549.db2.gz GUFUICZSXJDQBL-CZUORRHYSA-N 1 0 341.455 3.055 20 10 EGCDRO CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC[NH+](C)C)cc1 ZINC000255358576 1296524095 /nfs/dbraw/zinc/52/40/95/1296524095.db2.gz MXCGEKRZLQZRDL-UHFFFAOYSA-N 1 0 339.443 3.459 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000872134553 1296758993 /nfs/dbraw/zinc/75/89/93/1296758993.db2.gz CJWQJDHNCNHHJQ-UYSIFFEZSA-N 1 0 349.402 3.321 20 10 EGCDRO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000303656693 1296842907 /nfs/dbraw/zinc/84/29/07/1296842907.db2.gz GIIPPVHLZPROIQ-LJQANCHMSA-N 1 0 331.504 3.222 20 10 EGCDRO [NH3+][C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1c1ccccc1 ZINC000314343321 1297128149 /nfs/dbraw/zinc/12/81/49/1297128149.db2.gz NIFXOPODBLJSRI-JKSUJKDBSA-N 1 0 347.256 3.081 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccco2)cc1Cn1cccn1 ZINC000873008203 1297220193 /nfs/dbraw/zinc/22/01/93/1297220193.db2.gz GZSVSCZDIMEZRT-OAHLLOKOSA-N 1 0 325.412 3.254 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1Cn1cccn1 ZINC000873100461 1297273562 /nfs/dbraw/zinc/27/35/62/1297273562.db2.gz UVTRQJYPOMWUAB-UYAOXDASSA-N 1 0 343.471 3.233 20 10 EGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCNC(=O)CC3)cc2Cl)C1 ZINC000873121375 1297280085 /nfs/dbraw/zinc/28/00/85/1297280085.db2.gz HVTZZQSKUCMGDU-ZBFHGGJFSA-N 1 0 349.906 3.335 20 10 EGCDRO COc1ccc(C[NH2+]CCC2CC(F)(F)C2)cc1Cn1cccn1 ZINC000873129000 1297285349 /nfs/dbraw/zinc/28/53/49/1297285349.db2.gz DAUGBPONCKCDAO-UHFFFAOYSA-N 1 0 335.398 3.465 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1C ZINC000378911575 1297527937 /nfs/dbraw/zinc/52/79/37/1297527937.db2.gz SSDHVOZIWIWIBS-INIZCTEOSA-N 1 0 334.460 3.397 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CCSCC(F)(F)F)c1O ZINC000698957458 1298169182 /nfs/dbraw/zinc/16/91/82/1298169182.db2.gz LYQJJWPMMZWCCO-UHFFFAOYSA-N 1 0 329.771 3.439 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000701911469 1298191241 /nfs/dbraw/zinc/19/12/41/1298191241.db2.gz OVPMEFXBWZSCRF-IBGZPJMESA-N 1 0 332.444 3.111 20 10 EGCDRO CC[NH+](CC)C1CCN(Cc2c(O)cccc2Br)CC1 ZINC000707163527 1298227453 /nfs/dbraw/zinc/22/74/53/1298227453.db2.gz KIWVOJFADPPYSL-UHFFFAOYSA-N 1 0 341.293 3.461 20 10 EGCDRO CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708087449 1298235322 /nfs/dbraw/zinc/23/53/22/1298235322.db2.gz BVBXUDKBLISCHT-SNVBAGLBSA-N 1 0 347.684 3.240 20 10 EGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)C12CCC2 ZINC000713471344 1298271074 /nfs/dbraw/zinc/27/10/74/1298271074.db2.gz TXKJMYGQFOGALO-UONOGXRCSA-N 1 0 326.234 3.202 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cc(Br)ccc1O ZINC000715003680 1298276542 /nfs/dbraw/zinc/27/65/42/1298276542.db2.gz ZMGPDJOPWYAJBR-CYBMUJFWSA-N 1 0 337.217 3.496 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000725887677 1298380876 /nfs/dbraw/zinc/38/08/76/1298380876.db2.gz REFHCDBCNUERFE-BBWFWOEESA-N 1 0 331.504 3.410 20 10 EGCDRO Cc1nc(C(C)C)ccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876505919 1298795699 /nfs/dbraw/zinc/79/56/99/1298795699.db2.gz CQEMROPRFCNWSI-SFHVURJKSA-N 1 0 340.471 3.009 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(O)c1 ZINC000876559414 1298828248 /nfs/dbraw/zinc/82/82/48/1298828248.db2.gz ZXHZWEZCDLDEPR-KRWDZBQOSA-N 1 0 340.471 3.398 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)cc2)CC1 ZINC000876585715 1298849561 /nfs/dbraw/zinc/84/95/61/1298849561.db2.gz UHFOBNMFNYMDEW-OAQYLSRUSA-N 1 0 337.467 3.380 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(O)c1 ZINC000876614384 1298869435 /nfs/dbraw/zinc/86/94/35/1298869435.db2.gz LOWKIEYCBIERBZ-INIZCTEOSA-N 1 0 330.472 3.171 20 10 EGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000876690829 1298924032 /nfs/dbraw/zinc/92/40/32/1298924032.db2.gz SGTMQMLCRYXHDU-OAHLLOKOSA-N 1 0 334.460 3.389 20 10 EGCDRO CCN(C[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1)CC(F)(F)F ZINC000876780527 1298982487 /nfs/dbraw/zinc/98/24/87/1298982487.db2.gz HJUMBCSFRHFRTA-CQSZACIVSA-N 1 0 330.394 3.407 20 10 EGCDRO Cc1ccc(CNc2ccccc2C[NH+]2CCC(O)CC2)c(O)c1 ZINC000876826836 1299016913 /nfs/dbraw/zinc/01/69/13/1299016913.db2.gz CLDMYZYNFNKQRQ-UHFFFAOYSA-N 1 0 326.440 3.269 20 10 EGCDRO Cc1cccc(O)c1CNc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000876851207 1299032864 /nfs/dbraw/zinc/03/28/64/1299032864.db2.gz DYXIJCFVBNCNPU-UHFFFAOYSA-N 1 0 327.428 3.203 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sn1 ZINC000876946028 1299081693 /nfs/dbraw/zinc/08/16/93/1299081693.db2.gz MSKGNYCGXWMKCN-ZIAGYGMSSA-N 1 0 349.475 3.494 20 10 EGCDRO Cn1c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc2ccccc21 ZINC000876963973 1299091366 /nfs/dbraw/zinc/09/13/66/1299091366.db2.gz NNKMEJQMAUDWPD-UHFFFAOYSA-N 1 0 335.451 3.305 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)c(O)c1 ZINC000876970267 1299095239 /nfs/dbraw/zinc/09/52/39/1299095239.db2.gz NCYGAZMXGVSFGU-QGZVFWFLSA-N 1 0 340.467 3.211 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCc3cc(F)cc(F)c3)cc2)CC1 ZINC000877003838 1299110283 /nfs/dbraw/zinc/11/02/83/1299110283.db2.gz ZJIRGCVOOPTLGA-UHFFFAOYSA-N 1 0 346.421 3.258 20 10 EGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCOC1 ZINC000877024873 1299118065 /nfs/dbraw/zinc/11/80/65/1299118065.db2.gz QSMVJGNJSWBYML-UYAOXDASSA-N 1 0 332.488 3.064 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC000749125277 1299148050 /nfs/dbraw/zinc/14/80/50/1299148050.db2.gz CGIYPTBEGCUPOA-VQIMIIECSA-N 1 0 343.515 3.447 20 10 EGCDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1c(C)cccc1O ZINC000877082002 1299149064 /nfs/dbraw/zinc/14/90/64/1299149064.db2.gz KNOJAFRZENQIRP-UHFFFAOYSA-N 1 0 348.830 3.481 20 10 EGCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(C)cc3O)C2)c1 ZINC000877079446 1299149195 /nfs/dbraw/zinc/14/91/95/1299149195.db2.gz YXEIFNAUZQIXNK-MRXNPFEDSA-N 1 0 342.439 3.086 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)c1 ZINC000877110344 1299159266 /nfs/dbraw/zinc/15/92/66/1299159266.db2.gz RCWNFGAYOQUYHS-UHFFFAOYSA-N 1 0 340.467 3.255 20 10 EGCDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877518847 1299362321 /nfs/dbraw/zinc/36/23/21/1299362321.db2.gz WBAUPWCGXMIPMM-PXNSSMCTSA-N 1 0 346.515 3.163 20 10 EGCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)Oc2ccccc21 ZINC000877589012 1299416801 /nfs/dbraw/zinc/41/68/01/1299416801.db2.gz FKVHZTJLSJRRNR-IBGZPJMESA-N 1 0 327.355 3.141 20 10 EGCDRO CO[C@H](C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCOC1 ZINC000877658345 1299459572 /nfs/dbraw/zinc/45/95/72/1299459572.db2.gz XOZZXOYOXJQECI-YLJYHZDGSA-N 1 0 328.456 3.235 20 10 EGCDRO CCc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+](C)C)cc1 ZINC000751531065 1299563298 /nfs/dbraw/zinc/56/32/98/1299563298.db2.gz YOMYFZWYECLVCH-QGZVFWFLSA-N 1 0 342.439 3.001 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000878358460 1299943336 /nfs/dbraw/zinc/94/33/36/1299943336.db2.gz PIMJFNRFGHPTCW-OAHLLOKOSA-N 1 0 342.414 3.196 20 10 EGCDRO O=C1NC2(CO1)CC[NH+](Cc1cc(-c3ccccc3)ccc1O)CC2 ZINC000753587047 1299981526 /nfs/dbraw/zinc/98/15/26/1299981526.db2.gz KAYFQRMMYFKQKQ-UHFFFAOYSA-N 1 0 338.407 3.134 20 10 EGCDRO COCC[N@H+](CCc1ccccc1)Cc1cc(C)cc(OC)c1O ZINC000754720287 1300200014 /nfs/dbraw/zinc/20/00/14/1300200014.db2.gz PCFOEZZIFYXUBD-UHFFFAOYSA-N 1 0 329.440 3.400 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000756031939 1300428739 /nfs/dbraw/zinc/42/87/39/1300428739.db2.gz CTXNFPNMRVGYDW-JCQPUDPBSA-N 1 0 333.453 3.379 20 10 EGCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1O ZINC000756094678 1300438057 /nfs/dbraw/zinc/43/80/57/1300438057.db2.gz CYOKRVQNGNEQMJ-AWEZNQCLSA-N 1 0 327.424 3.447 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000756378299 1300479729 /nfs/dbraw/zinc/47/97/29/1300479729.db2.gz BVKIGVCACVAHBQ-NSHDSACASA-N 1 0 334.366 3.223 20 10 EGCDRO COc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000756381510 1300481077 /nfs/dbraw/zinc/48/10/77/1300481077.db2.gz MCLROTZAQHGGKR-XQAQDONZSA-N 1 0 331.387 3.411 20 10 EGCDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)N1CCOCC1 ZINC000756398470 1300484565 /nfs/dbraw/zinc/48/45/65/1300484565.db2.gz HVGGBGUNVXBNTP-QFBILLFUSA-N 1 0 334.504 3.488 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(OC)cc(OC)cc2OC)c1 ZINC000756432389 1300490342 /nfs/dbraw/zinc/49/03/42/1300490342.db2.gz RWLDWXLJJCLGPD-LBPRGKRZSA-N 1 0 347.411 3.277 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756446483 1300493497 /nfs/dbraw/zinc/49/34/97/1300493497.db2.gz QRGBYMQVJMCLHO-BBRMVZONSA-N 1 0 342.414 3.408 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2F)c2c1c(F)ccc2O ZINC000756460721 1300497760 /nfs/dbraw/zinc/49/77/60/1300497760.db2.gz RAKLIJHABBERGN-ABAIWWIYSA-N 1 0 346.377 3.238 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(Br)cc1O ZINC000756460544 1300497911 /nfs/dbraw/zinc/49/79/11/1300497911.db2.gz SCRYLKGWUKHVAE-LLVKDONJSA-N 1 0 336.229 3.498 20 10 EGCDRO COCCOCCCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756518533 1300512315 /nfs/dbraw/zinc/51/23/15/1300512315.db2.gz XRANMPUOJRGPRN-GFCCVEGCSA-N 1 0 346.265 3.249 20 10 EGCDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000756525936 1300514951 /nfs/dbraw/zinc/51/49/51/1300514951.db2.gz DILJIAIWZMILBR-HIFRSBDPSA-N 1 0 328.412 3.427 20 10 EGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000756525937 1300515268 /nfs/dbraw/zinc/51/52/68/1300515268.db2.gz DILJIAIWZMILBR-UKRRQHHQSA-N 1 0 328.412 3.427 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(Br)cc1O ZINC000756555617 1300521286 /nfs/dbraw/zinc/52/12/86/1300521286.db2.gz SZOOEUHKESDSEW-BXUZGUMPSA-N 1 0 339.277 3.290 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756604124 1300529387 /nfs/dbraw/zinc/52/93/87/1300529387.db2.gz LRHABCKJLYBDOJ-LRDDRELGSA-N 1 0 342.414 3.272 20 10 EGCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(Br)cc1O ZINC000756645440 1300540022 /nfs/dbraw/zinc/54/00/22/1300540022.db2.gz GPGGOJUKBGRENO-ZETOZRRWSA-N 1 0 339.277 3.288 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2ccc3c(c2)OCCO3)c1 ZINC000756756132 1300561171 /nfs/dbraw/zinc/56/11/71/1300561171.db2.gz FPOSFXUNECVREA-CQSZACIVSA-N 1 0 343.423 3.455 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])ncn1 ZINC000756775021 1300563983 /nfs/dbraw/zinc/56/39/83/1300563983.db2.gz GLIZXGXKQVMYKX-SECBINFHSA-N 1 0 340.196 3.243 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCCCSc1ccccc1)c1ccccc1O ZINC000879647671 1300648291 /nfs/dbraw/zinc/64/82/91/1300648291.db2.gz HXQTXIUHSRWQGX-OAHLLOKOSA-N 1 0 344.480 3.341 20 10 EGCDRO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648699 1300649117 /nfs/dbraw/zinc/64/91/17/1300649117.db2.gz ZPDHNROSNLISMU-JKSUJKDBSA-N 1 0 326.440 3.099 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000760550457 1301294424 /nfs/dbraw/zinc/29/44/24/1301294424.db2.gz MWWNXWZIDMFGAU-MRXNPFEDSA-N 1 0 345.487 3.034 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(N(C)CC(F)F)CC2)c1O ZINC000761202052 1301420507 /nfs/dbraw/zinc/42/05/07/1301420507.db2.gz KMCZCMUIJWJVDW-UHFFFAOYSA-N 1 0 348.821 3.216 20 10 EGCDRO CN(Cc1cn(C)nc1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221062 1301423255 /nfs/dbraw/zinc/42/32/55/1301423255.db2.gz APHDWIGZXBYIKB-UHFFFAOYSA-N 1 0 344.503 3.294 20 10 EGCDRO CCC1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOCC1 ZINC000761337202 1301444580 /nfs/dbraw/zinc/44/45/80/1301444580.db2.gz NCHFQQFVXPPTHJ-UHFFFAOYSA-N 1 0 344.249 3.212 20 10 EGCDRO COC(=O)CCC(C)(C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000762787216 1301748924 /nfs/dbraw/zinc/74/89/24/1301748924.db2.gz OFOGUCRKCPXRHK-UHFFFAOYSA-N 1 0 344.249 3.285 20 10 EGCDRO CN(C)c1ccc(C[N@H+](CC(=O)NCCC(C)(C)C)C2CC2)cc1 ZINC000762940016 1301790030 /nfs/dbraw/zinc/79/00/30/1301790030.db2.gz YIEWXCVELLNNKD-UHFFFAOYSA-N 1 0 331.504 3.269 20 10 EGCDRO Cc1ccc(C)c(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000765142940 1302210614 /nfs/dbraw/zinc/21/06/14/1302210614.db2.gz TZCBQFFLWQXDCN-UHFFFAOYSA-N 1 0 340.423 3.060 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765285358 1302236447 /nfs/dbraw/zinc/23/64/47/1302236447.db2.gz ALKWUPJISKMCDE-WBVHZDCISA-N 1 0 330.447 3.394 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCOc3cccc(F)c3)CC2)cc1 ZINC000765282546 1302236548 /nfs/dbraw/zinc/23/65/48/1302236548.db2.gz XDGPCKUQGUQAMG-UHFFFAOYSA-N 1 0 344.430 3.472 20 10 EGCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccsc3)CC2)cc1 ZINC000765402373 1302260639 /nfs/dbraw/zinc/26/06/39/1302260639.db2.gz OTFIPMHJUMPYIS-INIZCTEOSA-N 1 0 345.512 3.230 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccc(C)cc1O ZINC000883287588 1302365059 /nfs/dbraw/zinc/36/50/59/1302365059.db2.gz ZBCGBOGLKSWCHW-SFHVURJKSA-N 1 0 339.439 3.471 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000766606605 1302486134 /nfs/dbraw/zinc/48/61/34/1302486134.db2.gz OQGNIVXEOBBPQB-WMQCIHAUSA-N 1 0 345.531 3.437 20 10 EGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1c(O)cccc1OC ZINC000768204261 1302853953 /nfs/dbraw/zinc/85/39/53/1302853953.db2.gz VHLMVURGWJESJC-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000768245436 1302863097 /nfs/dbraw/zinc/86/30/97/1302863097.db2.gz SIJFIZPRMOAJSZ-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000768251595 1302865876 /nfs/dbraw/zinc/86/58/76/1302865876.db2.gz QKNFKQHQXGRWBS-UHFFFAOYSA-N 1 0 327.447 3.210 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000768258158 1302869610 /nfs/dbraw/zinc/86/96/10/1302869610.db2.gz RIGJKNSQJOEBLV-UHFFFAOYSA-N 1 0 347.466 3.498 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(O)cc1C ZINC000768437828 1302901607 /nfs/dbraw/zinc/90/16/07/1302901607.db2.gz JYHARYAZPVJMEI-UHFFFAOYSA-N 1 0 329.396 3.112 20 10 EGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768442006 1302904819 /nfs/dbraw/zinc/90/48/19/1302904819.db2.gz NFADTPHSOIZIFT-MJGOQNOKSA-N 1 0 341.407 3.164 20 10 EGCDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445738 1302905672 /nfs/dbraw/zinc/90/56/72/1302905672.db2.gz IVCKTCQNFUZTAH-PKOBYXMFSA-N 1 0 325.408 3.327 20 10 EGCDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768444626 1302906719 /nfs/dbraw/zinc/90/67/19/1302906719.db2.gz MRCPXIZNDQGPHX-KUHUBIRLSA-N 1 0 325.408 3.116 20 10 EGCDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768444628 1302908241 /nfs/dbraw/zinc/90/82/41/1302908241.db2.gz MRCPXIZNDQGPHX-LIRRHRJNSA-N 1 0 325.408 3.116 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768452127 1302909162 /nfs/dbraw/zinc/90/91/62/1302909162.db2.gz OYILXKHRMUUCFB-OXJNMPFZSA-N 1 0 339.435 3.273 20 10 EGCDRO Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc[nH+]1 ZINC000768493820 1302917544 /nfs/dbraw/zinc/91/75/44/1302917544.db2.gz HPBGTGXWJYKSII-GASCZTMLSA-N 1 0 329.419 3.177 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(O)c1 ZINC000768529397 1302926450 /nfs/dbraw/zinc/92/64/50/1302926450.db2.gz MZGFYNXNDCNEEL-OAHLLOKOSA-N 1 0 335.444 3.345 20 10 EGCDRO Cn1nnc2cc(C[N@H+](Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000768542768 1302930629 /nfs/dbraw/zinc/93/06/29/1302930629.db2.gz ZINMFHKKLVGYSQ-UHFFFAOYSA-N 1 0 348.406 3.469 20 10 EGCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000769217166 1303075061 /nfs/dbraw/zinc/07/50/61/1303075061.db2.gz NJJRXOJYYBBOFY-GOSISDBHSA-N 1 0 331.504 3.271 20 10 EGCDRO CCOc1cccc(CN2CC[NH+](C3CCC(C)CC3)CC2)c1O ZINC000769425874 1303111224 /nfs/dbraw/zinc/11/12/24/1303111224.db2.gz ZXRCGGXPUHUZNP-UHFFFAOYSA-N 1 0 332.488 3.487 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)c(O)c1 ZINC000769499253 1303128535 /nfs/dbraw/zinc/12/85/35/1303128535.db2.gz QEWDVIBRQCHHLD-UHFFFAOYSA-N 1 0 347.484 3.186 20 10 EGCDRO Fc1cc(C[NH+]2CCC(OCC3CC3)CC2)ccc1N1CCOCC1 ZINC000769501390 1303129648 /nfs/dbraw/zinc/12/96/48/1303129648.db2.gz HKELHLXGQNDGFN-UHFFFAOYSA-N 1 0 348.462 3.053 20 10 EGCDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000769547246 1303138774 /nfs/dbraw/zinc/13/87/74/1303138774.db2.gz AIBSGNKPKHPXFG-AZUAARDMSA-N 1 0 332.488 3.159 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000771393104 1303398020 /nfs/dbraw/zinc/39/80/20/1303398020.db2.gz YLARNNLBNDSQRM-HUUCEWRRSA-N 1 0 340.414 3.416 20 10 EGCDRO CC[N@H+](CCC1CCN(C(=O)C2=CC(=O)CS2)CC1)CC1CC1 ZINC000771415763 1303403190 /nfs/dbraw/zinc/40/31/90/1303403190.db2.gz CCVUGKIZBGMAQK-UHFFFAOYSA-N 1 0 336.501 3.428 20 10 EGCDRO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC12CCC2 ZINC000771465900 1303409894 /nfs/dbraw/zinc/40/98/94/1303409894.db2.gz YJHHIVOWEAWFNN-KRWDZBQOSA-N 1 0 343.515 3.223 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H]1C ZINC000886325226 1303434146 /nfs/dbraw/zinc/43/41/46/1303434146.db2.gz YWHWOQOXZVSTPI-GPMSIDNRSA-N 1 0 343.515 3.303 20 10 EGCDRO CCCOc1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000771866973 1303451809 /nfs/dbraw/zinc/45/18/09/1303451809.db2.gz OTZCEGKTCKDHAW-UHFFFAOYSA-N 1 0 341.407 3.468 20 10 EGCDRO CSc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000771879509 1303453757 /nfs/dbraw/zinc/45/37/57/1303453757.db2.gz BAAJFYGKKXDQKS-UHFFFAOYSA-N 1 0 347.459 3.069 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000886746879 1303582141 /nfs/dbraw/zinc/58/21/41/1303582141.db2.gz DZDVIDINEWQMRH-AWEZNQCLSA-N 1 0 343.496 3.301 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@@H](C)C1 ZINC000886749442 1303583351 /nfs/dbraw/zinc/58/33/51/1303583351.db2.gz SOOSJNSGJNEKHM-GUXCAODWSA-N 1 0 343.515 3.303 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)CC1 ZINC000886751043 1303583659 /nfs/dbraw/zinc/58/36/59/1303583659.db2.gz GAGHXRDERPTZKM-HXUWFJFHSA-N 1 0 341.499 3.057 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@H]1CN(C)CCO1 ZINC000773074551 1303619359 /nfs/dbraw/zinc/61/93/59/1303619359.db2.gz VXCRBFXEJRTQBL-RZQQEMMASA-N 1 0 349.494 3.186 20 10 EGCDRO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773198713 1303641990 /nfs/dbraw/zinc/64/19/90/1303641990.db2.gz OLZUZEIXODSNFA-IKGGRYGDSA-N 1 0 346.519 3.376 20 10 EGCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773387525 1303672531 /nfs/dbraw/zinc/67/25/31/1303672531.db2.gz KAWXPZHZIBIABC-SJORKVTESA-N 1 0 346.519 3.091 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774109970 1303774606 /nfs/dbraw/zinc/77/46/06/1303774606.db2.gz JMTAVEOLCKBTAI-DLBZAZTESA-N 1 0 343.431 3.131 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccc(F)cc1 ZINC000774482427 1303815060 /nfs/dbraw/zinc/81/50/60/1303815060.db2.gz KIJRHLHKGYQAIK-LSDHHAIUSA-N 1 0 343.446 3.247 20 10 EGCDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774482781 1303815501 /nfs/dbraw/zinc/81/55/01/1303815501.db2.gz HQKHXXHUWQCQON-IRXDYDNUSA-N 1 0 339.483 3.417 20 10 EGCDRO COc1c(O)c(C[N@H+](Cc2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000774828335 1303864684 /nfs/dbraw/zinc/86/46/84/1303864684.db2.gz XFAVSWLNPPUAOJ-UHFFFAOYSA-N 1 0 328.368 3.474 20 10 EGCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1c(O)cccc1OC)CCO2 ZINC000775346531 1303943526 /nfs/dbraw/zinc/94/35/26/1303943526.db2.gz URYBBBJIDHWJMA-INIZCTEOSA-N 1 0 329.396 3.413 20 10 EGCDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000775406182 1303958339 /nfs/dbraw/zinc/95/83/39/1303958339.db2.gz VLUZZOASBHGIAZ-HNAYVOBHSA-N 1 0 329.488 3.337 20 10 EGCDRO CC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000775483572 1303970609 /nfs/dbraw/zinc/97/06/09/1303970609.db2.gz YNCZWNJOHWLPCV-OAHLLOKOSA-N 1 0 326.868 3.197 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC)C1)c1cc(Cl)ccc1O ZINC000775499429 1303974085 /nfs/dbraw/zinc/97/40/85/1303974085.db2.gz DQRWLEDEXGJMER-OCCSQVGLSA-N 1 0 326.824 3.317 20 10 EGCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000775617824 1303995254 /nfs/dbraw/zinc/99/52/54/1303995254.db2.gz SKNSMAZIRFJCEW-IGOJGBNBSA-N 1 0 331.504 3.125 20 10 EGCDRO COc1cc(O)c(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1OC ZINC000775658879 1304007064 /nfs/dbraw/zinc/00/70/64/1304007064.db2.gz RFNVMRWRIJPAQT-INMHGKMJSA-N 1 0 348.487 3.247 20 10 EGCDRO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775832353 1304045105 /nfs/dbraw/zinc/04/51/05/1304045105.db2.gz ZLSKODCXRKWBRE-INIZCTEOSA-N 1 0 325.456 3.028 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775831793 1304045550 /nfs/dbraw/zinc/04/55/50/1304045550.db2.gz USOVBHYLHXRHNL-QGZVFWFLSA-N 1 0 339.483 3.152 20 10 EGCDRO CCN(C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000775834314 1304046904 /nfs/dbraw/zinc/04/69/04/1304046904.db2.gz RBQCYKVNTYMXJT-MRXNPFEDSA-N 1 0 325.456 3.456 20 10 EGCDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775833938 1304046992 /nfs/dbraw/zinc/04/69/92/1304046992.db2.gz HWXVKUUWVGOIOZ-OAHLLOKOSA-N 1 0 326.440 3.319 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775835458 1304047818 /nfs/dbraw/zinc/04/78/18/1304047818.db2.gz ZBTIWJJLMUGTFF-KDOFPFPSSA-N 1 0 348.874 3.497 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@H]1OC ZINC000775978934 1304073572 /nfs/dbraw/zinc/07/35/72/1304073572.db2.gz PINRNNSBCVKNJI-MISYRCLQSA-N 1 0 327.424 3.341 20 10 EGCDRO COc1cccc(N2CC[C@H]([NH2+]Cc3c(O)cccc3Cl)C2)c1 ZINC000776163577 1304104742 /nfs/dbraw/zinc/10/47/42/1304104742.db2.gz IYXYYEXOMBRMDB-ZDUSSCGKSA-N 1 0 332.831 3.423 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCCCCCO)ccc1N1CCCCC1 ZINC000776258135 1304122294 /nfs/dbraw/zinc/12/22/94/1304122294.db2.gz SLXPBVZPMDBXNH-UHFFFAOYSA-N 1 0 335.448 3.227 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H](C)C3)cc2F)CC1 ZINC000776324303 1304133690 /nfs/dbraw/zinc/13/36/90/1304133690.db2.gz XYQXJVAEUZBYTM-NVXWUHKLSA-N 1 0 347.478 3.020 20 10 EGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000776766382 1304196096 /nfs/dbraw/zinc/19/60/96/1304196096.db2.gz QKSFYINKXUBJQJ-FQEVSTJZSA-N 1 0 338.382 3.173 20 10 EGCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ccccc2C1 ZINC000779001661 1304515884 /nfs/dbraw/zinc/51/58/84/1304515884.db2.gz DMVLKTHXDMFWSC-NRFANRHFSA-N 1 0 337.467 3.336 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)c1O ZINC000779023280 1304519754 /nfs/dbraw/zinc/51/97/54/1304519754.db2.gz BNVQPIMHIMXZAA-BONVTDFDSA-N 1 0 328.250 3.275 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000780575605 1304710904 /nfs/dbraw/zinc/71/09/04/1304710904.db2.gz FMKZNQGFNNWKAD-CJNGLKHVSA-N 1 0 348.384 3.465 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cnc4c(c3)CCCC4)cc2)CC1 ZINC000782217841 1304934056 /nfs/dbraw/zinc/93/40/56/1304934056.db2.gz UETUCNPUXGTVTR-UHFFFAOYSA-N 1 0 336.483 3.324 20 10 EGCDRO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(Br)cc1O ZINC000783314341 1305080663 /nfs/dbraw/zinc/08/06/63/1305080663.db2.gz MGXUTBCPTNMFBK-NSHDSACASA-N 1 0 327.266 3.290 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000783638570 1305121058 /nfs/dbraw/zinc/12/10/58/1305121058.db2.gz RLTDZDRBMIGBGT-CABCVRRESA-N 1 0 340.414 3.273 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c(O)c1OC ZINC000892120676 1305255697 /nfs/dbraw/zinc/25/56/97/1305255697.db2.gz NLMSNOONMIDURX-QGZVFWFLSA-N 1 0 342.439 3.486 20 10 EGCDRO CCOC(=O)c1ncc(C[NH2+]Cc2ccc(N(CC)CC)cc2)s1 ZINC000892614578 1305471831 /nfs/dbraw/zinc/47/18/31/1305471831.db2.gz KLKREZMVYQMRSH-UHFFFAOYSA-N 1 0 347.484 3.456 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(O)c1OC ZINC000892733132 1305527590 /nfs/dbraw/zinc/52/75/90/1305527590.db2.gz NLSOLBDPISUIGC-UHFFFAOYSA-N 1 0 342.439 3.082 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CCCO)c2ccccc2)c(O)c1OC ZINC000893011368 1305654774 /nfs/dbraw/zinc/65/47/74/1305654774.db2.gz XQRGXOADICZTBD-INIZCTEOSA-N 1 0 331.412 3.013 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H]1C ZINC000787239808 1305715878 /nfs/dbraw/zinc/71/58/78/1305715878.db2.gz CUCAXOLNDYOIQK-OLZOCXBDSA-N 1 0 343.423 3.401 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC000787302516 1305729507 /nfs/dbraw/zinc/72/95/07/1305729507.db2.gz JDIUGWHDUTWJDW-GOSISDBHSA-N 1 0 345.531 3.218 20 10 EGCDRO COC(=O)[C@](C)(C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000787425155 1305743073 /nfs/dbraw/zinc/74/30/73/1305743073.db2.gz UGANHSINJPKVQF-GOSISDBHSA-N 1 0 333.815 3.266 20 10 EGCDRO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000893403151 1305874369 /nfs/dbraw/zinc/87/43/69/1305874369.db2.gz RJGUVFDDSBDJNK-DOTOQJQBSA-N 1 0 337.460 3.483 20 10 EGCDRO Cc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c(C)n1-c1ccccc1C ZINC000788203513 1305893876 /nfs/dbraw/zinc/89/38/76/1305893876.db2.gz QXFUFSMYHNZYMX-UHFFFAOYSA-N 1 0 337.467 3.180 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000788533387 1305964729 /nfs/dbraw/zinc/96/47/29/1305964729.db2.gz YBCOFSYANGFLGZ-INIZCTEOSA-N 1 0 326.440 3.407 20 10 EGCDRO CCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1 ZINC000893607320 1305984526 /nfs/dbraw/zinc/98/45/26/1305984526.db2.gz GCQPLWKSNSEJRK-UHFFFAOYSA-N 1 0 329.488 3.025 20 10 EGCDRO CCN(CC)[C@H](C[NH2+]Cc1cc(C)cc(OC)c1O)c1ccco1 ZINC000894208303 1306277884 /nfs/dbraw/zinc/27/78/84/1306277884.db2.gz FXQXDGLPMLPNAL-MRXNPFEDSA-N 1 0 332.444 3.475 20 10 EGCDRO COc1ccc(C[NH2+]CCc2ccc(SC)cc2)c(O)c1OC ZINC000894220431 1306286248 /nfs/dbraw/zinc/28/62/48/1306286248.db2.gz NPADVRDUYBNMCO-UHFFFAOYSA-N 1 0 333.453 3.464 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000894287202 1306321631 /nfs/dbraw/zinc/32/16/31/1306321631.db2.gz UHVVXIQUILTKBX-SJORKVTESA-N 1 0 346.519 3.187 20 10 EGCDRO CC(C)C(C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)C ZINC000790532120 1306345983 /nfs/dbraw/zinc/34/59/83/1306345983.db2.gz UIHLLZMQEHYBET-SFHVURJKSA-N 1 0 345.531 3.406 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1O ZINC000894351269 1306354509 /nfs/dbraw/zinc/35/45/09/1306354509.db2.gz BFOOZZSDJJKHMV-HNNXBMFYSA-N 1 0 329.396 3.029 20 10 EGCDRO COCCN1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808681161 1317715631 /nfs/dbraw/zinc/71/56/31/1317715631.db2.gz VUSPNBWPNDKBIY-CYBMUJFWSA-N 1 0 326.868 3.115 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1O ZINC000790936430 1308891315 /nfs/dbraw/zinc/89/13/15/1308891315.db2.gz CDOUGHMVGFUAFN-LJQANCHMSA-N 1 0 327.424 3.174 20 10 EGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccnc1 ZINC000894613943 1308979185 /nfs/dbraw/zinc/97/91/85/1308979185.db2.gz UOONZLLTYMLJHC-LJQANCHMSA-N 1 0 326.440 3.256 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000792940484 1309267272 /nfs/dbraw/zinc/26/72/72/1309267272.db2.gz AKRFGGHQHJTVEK-QILLFSRXSA-N 1 0 330.472 3.136 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCNc2ccccn2)c(C(F)(F)F)c1 ZINC000793049789 1309286631 /nfs/dbraw/zinc/28/66/31/1309286631.db2.gz YMPHLVJRYPXKRB-UHFFFAOYSA-N 1 0 338.377 3.368 20 10 EGCDRO COCC[C@@]1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOC1 ZINC000793189209 1309314764 /nfs/dbraw/zinc/31/47/64/1309314764.db2.gz TWNPLRATKYLLTG-MRXNPFEDSA-N 1 0 346.393 3.057 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@]2(CCCOC2)O1 ZINC000794890052 1309616389 /nfs/dbraw/zinc/61/63/89/1309616389.db2.gz KXMJXXJEALMPDC-JLTOFOAXSA-N 1 0 349.471 3.165 20 10 EGCDRO COc1ccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c(O)c1OC ZINC000896019844 1309655923 /nfs/dbraw/zinc/65/59/23/1309655923.db2.gz ONCPYMAIGKVWNI-SFHVURJKSA-N 1 0 331.412 3.011 20 10 EGCDRO CN1CCC([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000796255457 1309945499 /nfs/dbraw/zinc/94/54/99/1309945499.db2.gz DGJGSFCGBTTXME-UHFFFAOYSA-N 1 0 335.495 3.433 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c(O)c1OC ZINC000896825418 1310038702 /nfs/dbraw/zinc/03/87/02/1310038702.db2.gz RVOPFGRHFJMVHP-GFCCVEGCSA-N 1 0 329.396 3.023 20 10 EGCDRO Fc1cc(C[NH2+]C[C@H]2CCC(F)(F)C2)ccc1N1CCOCC1 ZINC000797468055 1310195149 /nfs/dbraw/zinc/19/51/49/1310195149.db2.gz HJRCCVWLZDCSEP-AWEZNQCLSA-N 1 0 328.378 3.187 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000797946296 1310273870 /nfs/dbraw/zinc/27/38/70/1310273870.db2.gz OXHREYAKNPJUAX-UHFFFAOYSA-N 1 0 335.492 3.441 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000800329084 1310737665 /nfs/dbraw/zinc/73/76/65/1310737665.db2.gz ACPPQUQNLCQFHC-UHFFFAOYSA-N 1 0 333.476 3.051 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnn(C3CCC3)c2)N(C)C)cc1 ZINC000898447717 1310739602 /nfs/dbraw/zinc/73/96/02/1310739602.db2.gz KRURAWJJZMCFAY-FQEVSTJZSA-N 1 0 341.503 3.067 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)N(C)C)cc1 ZINC000898450359 1310742385 /nfs/dbraw/zinc/74/23/85/1310742385.db2.gz QLCWTTILRZXPJU-PKOBYXMFSA-N 1 0 331.504 3.047 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CCN1Cc2ccccc2C1 ZINC000825090316 1320308676 /nfs/dbraw/zinc/30/86/76/1320308676.db2.gz TUZGIRDOFNHUNI-UHFFFAOYSA-N 1 0 347.256 3.260 20 10 EGCDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000825098967 1320309973 /nfs/dbraw/zinc/30/99/73/1320309973.db2.gz RAODBJGLKZXMSU-IFXJQAMLSA-N 1 0 347.459 3.488 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1Cl ZINC000826084153 1320382823 /nfs/dbraw/zinc/38/28/23/1320382823.db2.gz VUIPJDHMBIRDOA-CXAGYDPISA-N 1 0 335.835 3.097 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000802193145 1316986326 /nfs/dbraw/zinc/98/63/26/1316986326.db2.gz NXFNXGBOHMGALI-NVXWUHKLSA-N 1 0 333.476 3.187 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(C4CC4)CCC3)C2)cc1C ZINC001019197222 1317096167 /nfs/dbraw/zinc/09/61/67/1317096167.db2.gz YRZNOVQBFYIROZ-SFHVURJKSA-N 1 0 342.483 3.274 20 10 EGCDRO Cc1nc2ccccc2n1CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858091222 1328678977 /nfs/dbraw/zinc/67/89/77/1328678977.db2.gz ZNOPGEJPMJRPDW-UHFFFAOYSA-N 1 0 344.409 3.479 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(C)CC=CC3)C2)cc1C ZINC001019329120 1317172060 /nfs/dbraw/zinc/17/20/60/1317172060.db2.gz WVAAPFNZZZMFHY-KRWDZBQOSA-N 1 0 328.456 3.050 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccc(F)cc1 ZINC000858138714 1328692936 /nfs/dbraw/zinc/69/29/36/1328692936.db2.gz IYZREXDNNRJIRA-ADLMAVQZSA-N 1 0 338.373 3.382 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2c(O)cccc2Br)[C@@H]2CCCO[C@H]21 ZINC000858146092 1328695941 /nfs/dbraw/zinc/69/59/41/1328695941.db2.gz OUPNBBNLFWECME-COLVAYQJSA-N 1 0 340.261 3.448 20 10 EGCDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1c(O)cccc1Br ZINC000858168113 1328702060 /nfs/dbraw/zinc/70/20/60/1328702060.db2.gz NLQZXVWQMHJGJL-HNNXBMFYSA-N 1 0 328.250 3.186 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1F ZINC000858172426 1328702505 /nfs/dbraw/zinc/70/25/05/1328702505.db2.gz UEYWEIMGIFJHIU-KXBFYZLASA-N 1 0 347.409 3.436 20 10 EGCDRO CCNc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000902079152 1317518110 /nfs/dbraw/zinc/51/81/10/1317518110.db2.gz TUBBIECIXAWBGK-UHFFFAOYSA-N 1 0 343.446 3.384 20 10 EGCDRO CNc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000902098504 1317521422 /nfs/dbraw/zinc/52/14/22/1317521422.db2.gz OHAFUVFUXFALIC-UHFFFAOYSA-N 1 0 343.446 3.118 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cscc3C)C2)cc1C ZINC001020057765 1317523787 /nfs/dbraw/zinc/52/37/87/1317523787.db2.gz IZCFCPDVLCQQFT-WKILWMFISA-N 1 0 344.480 3.424 20 10 EGCDRO CNc1ccccc1C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000902602426 1317598418 /nfs/dbraw/zinc/59/84/18/1317598418.db2.gz AJHVLCIOYKNCGR-INIZCTEOSA-N 1 0 325.456 3.353 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)cc1 ZINC000808447640 1317678802 /nfs/dbraw/zinc/67/88/02/1317678802.db2.gz SHNALBKJWISBEJ-SESVDKBCSA-N 1 0 343.515 3.269 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)cc1 ZINC000808447639 1317679182 /nfs/dbraw/zinc/67/91/82/1317679182.db2.gz SHNALBKJWISBEJ-HMXCVIKNSA-N 1 0 343.515 3.269 20 10 EGCDRO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000903393160 1317696171 /nfs/dbraw/zinc/69/61/71/1317696171.db2.gz HWDVSTOFEXBWKN-APWZRJJASA-N 1 0 329.488 3.338 20 10 EGCDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000903447917 1317701369 /nfs/dbraw/zinc/70/13/69/1317701369.db2.gz GAIABDULRQEORU-UZLBHIALSA-N 1 0 343.519 3.484 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)c1O ZINC000808682169 1317715433 /nfs/dbraw/zinc/71/54/33/1317715433.db2.gz OBASSSNERSDFNQ-CYBMUJFWSA-N 1 0 332.831 3.321 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c1O ZINC000808705141 1317718714 /nfs/dbraw/zinc/71/87/14/1317718714.db2.gz AWZAQFUCSBCJGQ-LBPRGKRZSA-N 1 0 332.831 3.346 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000808715968 1317720941 /nfs/dbraw/zinc/72/09/41/1317720941.db2.gz ZOBLWKATYUPFOZ-WBMJQRKESA-N 1 0 327.852 3.182 20 10 EGCDRO FC(F)CN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858231195 1328717706 /nfs/dbraw/zinc/71/77/06/1328717706.db2.gz PBRPNCOWLZMRGM-GOSISDBHSA-N 1 0 337.458 3.496 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)c4c3c(O)ccc4F)[C@@H]2C1 ZINC000808722235 1317723167 /nfs/dbraw/zinc/72/31/67/1317723167.db2.gz BKWXQXXMNIYWAH-UQTKTIGESA-N 1 0 346.446 3.316 20 10 EGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955210 1317756904 /nfs/dbraw/zinc/75/69/04/1317756904.db2.gz MUNPLFXXSYYOCS-SECBINFHSA-N 1 0 325.186 3.033 20 10 EGCDRO C[C@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1ccc(N(C)C)cc1 ZINC000809641981 1317854690 /nfs/dbraw/zinc/85/46/90/1317854690.db2.gz AABUOVOINFRNGQ-LBPRGKRZSA-N 1 0 333.457 3.105 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1O ZINC000809740204 1317886503 /nfs/dbraw/zinc/88/65/03/1317886503.db2.gz PDFAJGNCFIZTOQ-UHFFFAOYSA-N 1 0 341.386 3.075 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000809769086 1317895534 /nfs/dbraw/zinc/89/55/34/1317895534.db2.gz AVRMXNWDOAUXND-INIZCTEOSA-N 1 0 341.329 3.243 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810208892 1317975842 /nfs/dbraw/zinc/97/58/42/1317975842.db2.gz HIPXMWWEZDORAH-SWLSCSKDSA-N 1 0 346.393 3.172 20 10 EGCDRO CC[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(C(F)(F)F)cc1O ZINC000810220646 1317979247 /nfs/dbraw/zinc/97/92/47/1317979247.db2.gz BQLWJEDZZISXLW-GXTWGEPZSA-N 1 0 335.391 3.320 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810226843 1317980252 /nfs/dbraw/zinc/98/02/52/1317980252.db2.gz MOUYBJJYEWQHAV-ZBFHGGJFSA-N 1 0 347.377 3.239 20 10 EGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810224788 1317980340 /nfs/dbraw/zinc/98/03/40/1317980340.db2.gz XVKGRYYFDMFVJH-TZMCWYRMSA-N 1 0 344.377 3.463 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ncnn1CC)c1ccc(C(F)(F)F)cc1O ZINC000810237061 1317982358 /nfs/dbraw/zinc/98/23/58/1317982358.db2.gz DSSILDZEZFRMHW-GFCCVEGCSA-N 1 0 328.338 3.263 20 10 EGCDRO CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000810236064 1317982986 /nfs/dbraw/zinc/98/29/86/1317982986.db2.gz YBHLJKRHAYTAKM-LBPRGKRZSA-N 1 0 328.338 3.121 20 10 EGCDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000814170789 1318687681 /nfs/dbraw/zinc/68/76/81/1318687681.db2.gz CKWMEGOBFLGAMO-LJQANCHMSA-N 1 0 345.826 3.362 20 10 EGCDRO CCc1occc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022030276 1318773620 /nfs/dbraw/zinc/77/36/20/1318773620.db2.gz MWJNQRUNVFOKDV-IYBDPMFKSA-N 1 0 342.439 3.210 20 10 EGCDRO Cc1cc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)ccc1N(C)C ZINC000815062614 1318880459 /nfs/dbraw/zinc/88/04/59/1318880459.db2.gz XGJGJBMNITYKAJ-MRXNPFEDSA-N 1 0 330.394 3.196 20 10 EGCDRO Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)ccc1N(C)C ZINC000815069471 1318881215 /nfs/dbraw/zinc/88/12/15/1318881215.db2.gz BHMQGRZBOSDQCQ-OAHLLOKOSA-N 1 0 335.492 3.406 20 10 EGCDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000815126209 1318901725 /nfs/dbraw/zinc/90/17/25/1318901725.db2.gz IJQPTLRPPXIKHC-GOEBONIOSA-N 1 0 335.444 3.393 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H](O)COCc2ccccc2)c1O ZINC000858595411 1328804733 /nfs/dbraw/zinc/80/47/33/1328804733.db2.gz POFDGJAFIGGINQ-NVXWUHKLSA-N 1 0 345.439 3.019 20 10 EGCDRO CCCC(=O)NC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816493264 1319165644 /nfs/dbraw/zinc/16/56/44/1319165644.db2.gz VHVAWLGHLSQAHP-UHFFFAOYSA-N 1 0 326.440 3.426 20 10 EGCDRO CC[NH+](CC)CCN(CCOC)Cc1ccc2ccccc2c1O ZINC000816504527 1319169657 /nfs/dbraw/zinc/16/96/57/1319169657.db2.gz QPJOTXHDSCIWRF-UHFFFAOYSA-N 1 0 330.472 3.336 20 10 EGCDRO Oc1c(C[NH2+]Cc2ccc(-n3ccnc3)nc2)ccc2ccccc21 ZINC000816534001 1319177553 /nfs/dbraw/zinc/17/75/53/1319177553.db2.gz SPLDHPDWLZVHFS-UHFFFAOYSA-N 1 0 330.391 3.416 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3c(F)ccc(O)c3F)CC2)cc1 ZINC000816545282 1319179857 /nfs/dbraw/zinc/17/98/57/1319179857.db2.gz KKCKZQOXEBAILR-UHFFFAOYSA-N 1 0 348.393 3.438 20 10 EGCDRO O=C1NCCc2ccc(C[NH2+]Cc3ccc4ccccc4c3O)cc21 ZINC000816568619 1319185564 /nfs/dbraw/zinc/18/55/64/1319185564.db2.gz LQEDHYNUVANRMM-UHFFFAOYSA-N 1 0 332.403 3.121 20 10 EGCDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc2ccccc2c1O ZINC000816594165 1319189177 /nfs/dbraw/zinc/18/91/77/1319189177.db2.gz RNHXOEKOFZSVCJ-UHFFFAOYSA-N 1 0 328.456 3.088 20 10 EGCDRO OC[C@]1([C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C2CC2)CCCO1 ZINC000816667821 1319206280 /nfs/dbraw/zinc/20/62/80/1319206280.db2.gz XSRBSVAAIWZOQZ-RTWAWAEBSA-N 1 0 344.499 3.087 20 10 EGCDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817412575 1319353581 /nfs/dbraw/zinc/35/35/81/1319353581.db2.gz MUNHMCNTHUQXRX-WBVHZDCISA-N 1 0 347.459 3.035 20 10 EGCDRO Cc1cc(CC(=O)NC[C@H](C)[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000914739319 1319371657 /nfs/dbraw/zinc/37/16/57/1319371657.db2.gz WSVUCRPCGGAFCT-AWEZNQCLSA-N 1 0 347.890 3.356 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000817586523 1319407290 /nfs/dbraw/zinc/40/72/90/1319407290.db2.gz PHBUDCYAKMUCQI-KKUMJFAQSA-N 1 0 330.472 3.213 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2ccnc2)cc1 ZINC000817938341 1319466133 /nfs/dbraw/zinc/46/61/33/1319466133.db2.gz JDSCMJYPTBNJSW-HRAATJIYSA-N 1 0 349.482 3.289 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(O)c1 ZINC000817939881 1319468695 /nfs/dbraw/zinc/46/86/95/1319468695.db2.gz CYFOQOVNFBGADI-QAPCUYQASA-N 1 0 327.472 3.426 20 10 EGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1-c1ccccc1 ZINC000817943923 1319471410 /nfs/dbraw/zinc/47/14/10/1319471410.db2.gz WTXDDQRSWGWEIK-JXFKEZNVSA-N 1 0 349.482 3.289 20 10 EGCDRO CC(C)[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817944034 1319472421 /nfs/dbraw/zinc/47/24/21/1319472421.db2.gz WUNNYDJLOKUTDK-PKOBYXMFSA-N 1 0 330.451 3.273 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000817972199 1319481407 /nfs/dbraw/zinc/48/14/07/1319481407.db2.gz VDHABPBGGRXHBW-BBBLOLIVSA-N 1 0 331.229 3.085 20 10 EGCDRO COC[C@@]1(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CCC[NH2+]1 ZINC000817974188 1319482510 /nfs/dbraw/zinc/48/25/10/1319482510.db2.gz JCGGCTABIWYECL-JXFKEZNVSA-N 1 0 349.494 3.235 20 10 EGCDRO C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Br)cc(F)c1[O-] ZINC000817984377 1319485341 /nfs/dbraw/zinc/48/53/41/1319485341.db2.gz RMVMDVUWOBRPCJ-VIFPVBQESA-N 1 0 331.229 3.087 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000817996551 1319488329 /nfs/dbraw/zinc/48/83/29/1319488329.db2.gz HYHYSKKWLTWRCY-UGSOOPFHSA-N 1 0 342.439 3.304 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccnn3C(C)C)C2)cc1 ZINC000818222885 1319523235 /nfs/dbraw/zinc/52/32/35/1319523235.db2.gz XOVUNIMTBDAYGH-MRXNPFEDSA-N 1 0 328.460 3.089 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1OC ZINC000915816889 1319541731 /nfs/dbraw/zinc/54/17/31/1319541731.db2.gz AQYQRHWRWUBZGF-UHFFFAOYSA-N 1 0 331.412 3.358 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000819373795 1319712415 /nfs/dbraw/zinc/71/24/15/1319712415.db2.gz CNZNGKDELAWXJL-FOIQADDNSA-N 1 0 330.447 3.454 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)c1ccccc1F ZINC000819377284 1319713819 /nfs/dbraw/zinc/71/38/19/1319713819.db2.gz OIZJGOJXCKEWHU-YWZLYKJASA-N 1 0 330.447 3.454 20 10 EGCDRO CCCC(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000917448556 1319812366 /nfs/dbraw/zinc/81/23/66/1319812366.db2.gz BOOWKKWYYRSVJN-UHFFFAOYSA-N 1 0 348.487 3.276 20 10 EGCDRO CC[NH+](CC)CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000918055297 1319911167 /nfs/dbraw/zinc/91/11/67/1319911167.db2.gz KGHKNRQFRFDJEL-UHFFFAOYSA-N 1 0 346.519 3.159 20 10 EGCDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000918696895 1319989506 /nfs/dbraw/zinc/98/95/06/1319989506.db2.gz GQTRXEGBEYDYAK-SFHVURJKSA-N 1 0 339.483 3.474 20 10 EGCDRO C[C@@H](C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1)[NH+](C)C ZINC000821719472 1320027229 /nfs/dbraw/zinc/02/72/29/1320027229.db2.gz CLAODIUWRYQQLU-HOTGVXAUSA-N 1 0 326.440 3.432 20 10 EGCDRO CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)c(O)c1 ZINC000822490254 1320087848 /nfs/dbraw/zinc/08/78/48/1320087848.db2.gz RRRMIBLLUOLRKU-UHFFFAOYSA-N 1 0 348.830 3.481 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)Cc3ccc(O)cc3)C2)cc1 ZINC000822494665 1320088976 /nfs/dbraw/zinc/08/89/76/1320088976.db2.gz RZXJFLLCKDWMQA-SJLPKXTDSA-N 1 0 340.467 3.448 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1O ZINC000822516561 1320092016 /nfs/dbraw/zinc/09/20/16/1320092016.db2.gz MNBDECZKTGYJFC-SFHVURJKSA-N 1 0 335.831 3.394 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000822697309 1320114427 /nfs/dbraw/zinc/11/44/27/1320114427.db2.gz BCBKXSNSLCZNIB-KRWDZBQOSA-N 1 0 347.503 3.434 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCC1 ZINC000824084250 1320227465 /nfs/dbraw/zinc/22/74/65/1320227465.db2.gz AYADQOPKIPKWKV-HKUYNNGSSA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000824195308 1320236847 /nfs/dbraw/zinc/23/68/47/1320236847.db2.gz ARNSABRNSUIZBO-CQSZACIVSA-N 1 0 332.469 3.007 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@H](CC)NC(=O)OC(C)(C)C)c(O)c1 ZINC000824660570 1320275013 /nfs/dbraw/zinc/27/50/13/1320275013.db2.gz GOHJLMTUSYCVED-AWEZNQCLSA-N 1 0 338.448 3.184 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)c1O ZINC000824815031 1320288064 /nfs/dbraw/zinc/28/80/64/1320288064.db2.gz HOOAMHALEKTRIJ-ZWNOBZJWSA-N 1 0 344.249 3.020 20 10 EGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1Cl ZINC000824862044 1320292232 /nfs/dbraw/zinc/29/22/32/1320292232.db2.gz HHJCMUFZXKOHCP-GOEBONIOSA-N 1 0 345.892 3.142 20 10 EGCDRO CN1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]21 ZINC000824893319 1320294009 /nfs/dbraw/zinc/29/40/09/1320294009.db2.gz PLTKHSIUANZBHE-XLIONFOSSA-N 1 0 338.451 3.107 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1Cl ZINC000824926263 1320296516 /nfs/dbraw/zinc/29/65/16/1320296516.db2.gz DFOVXJXJAIVKNZ-GUYCJALGSA-N 1 0 349.862 3.033 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1Cl ZINC000824949544 1320299810 /nfs/dbraw/zinc/29/98/10/1320299810.db2.gz MPTWPPKZNUYJQR-MAUKXSAKSA-N 1 0 349.862 3.176 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccccc1O ZINC000825040454 1320305941 /nfs/dbraw/zinc/30/59/41/1320305941.db2.gz KVNYPRCZJVVRHJ-MAUKXSAKSA-N 1 0 326.440 3.180 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(OCCOC(C)C)CC2)c(O)c1 ZINC000825207577 1320317840 /nfs/dbraw/zinc/31/78/40/1320317840.db2.gz LSWCDQOPOHQCCE-UHFFFAOYSA-N 1 0 337.460 3.197 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1Cl ZINC000825803523 1320363631 /nfs/dbraw/zinc/36/36/31/1320363631.db2.gz AHHGWQFOLKIDMD-DYVFJYSZSA-N 1 0 339.863 3.011 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000825823970 1320364761 /nfs/dbraw/zinc/36/47/61/1320364761.db2.gz DDVPTVXXOHYMLU-HIFRSBDPSA-N 1 0 326.234 3.298 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1Cl ZINC000826062786 1320381192 /nfs/dbraw/zinc/38/11/92/1320381192.db2.gz XDEPDQHTVIMKNV-UHFFFAOYSA-N 1 0 339.844 3.047 20 10 EGCDRO CC1(CC(F)(F)F)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839142964 1320878473 /nfs/dbraw/zinc/87/84/73/1320878473.db2.gz MFRBOBPQRSSSEW-UHFFFAOYSA-N 1 0 328.378 3.298 20 10 EGCDRO Fc1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc(F)c1N1CCOCC1 ZINC000839145605 1320880601 /nfs/dbraw/zinc/88/06/01/1320880601.db2.gz QSGLZGFXUCDYEA-MAUKXSAKSA-N 1 0 336.426 3.470 20 10 EGCDRO C[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1O ZINC000839516982 1320931964 /nfs/dbraw/zinc/93/19/64/1320931964.db2.gz PAQJFRUWKCNUSH-HNNXBMFYSA-N 1 0 334.460 3.471 20 10 EGCDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000840166327 1321042410 /nfs/dbraw/zinc/04/24/10/1321042410.db2.gz IGGXEEZMPSIZEV-KPZWWZAWSA-N 1 0 331.387 3.020 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CC1(C)C ZINC000840714899 1321133065 /nfs/dbraw/zinc/13/30/65/1321133065.db2.gz NIELYOPRKNSQJZ-NEWSRXKRSA-N 1 0 343.515 3.303 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000840758138 1321142681 /nfs/dbraw/zinc/14/26/81/1321142681.db2.gz NIHHMXQRKVWMGL-GOSISDBHSA-N 1 0 347.409 3.437 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000840880282 1321168409 /nfs/dbraw/zinc/16/84/09/1321168409.db2.gz BIEKBBZOKDYTPT-CXAGYDPISA-N 1 0 328.387 3.296 20 10 EGCDRO CC(=O)NC1CCC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840894815 1321171765 /nfs/dbraw/zinc/17/17/65/1321171765.db2.gz UDFOCPCLWUNOOV-VNCLNFNDSA-N 1 0 331.504 3.029 20 10 EGCDRO COC(=O)C1CCC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840895162 1321172109 /nfs/dbraw/zinc/17/21/09/1321172109.db2.gz VYYDVFLVGMGLAK-KLHKWILBSA-N 1 0 332.488 3.313 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000840911784 1321175155 /nfs/dbraw/zinc/17/51/55/1321175155.db2.gz QYBRZRSOVOPBQL-NRFANRHFSA-N 1 0 342.483 3.071 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000840933168 1321180200 /nfs/dbraw/zinc/18/02/00/1321180200.db2.gz MFMPNSRWMDVIDQ-UHFFFAOYSA-N 1 0 325.456 3.204 20 10 EGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840936180 1321180981 /nfs/dbraw/zinc/18/09/81/1321180981.db2.gz GJJVIWFYJFVOAV-KRWDZBQOSA-N 1 0 332.488 3.472 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(OCCOC(C)C)CC1 ZINC000840951691 1321184539 /nfs/dbraw/zinc/18/45/39/1321184539.db2.gz GRRSSVLSCQJDQD-UHFFFAOYSA-N 1 0 334.504 3.467 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000840950140 1321184784 /nfs/dbraw/zinc/18/47/84/1321184784.db2.gz FNCUDRLHNMYDJW-UHFFFAOYSA-N 1 0 337.467 3.325 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c1O ZINC000840962869 1321188186 /nfs/dbraw/zinc/18/81/86/1321188186.db2.gz GWIVGCFIJHOXMN-TUAOUCFPSA-N 1 0 328.250 3.366 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCc3ccc(N)cc3)CC2)cc1 ZINC000841034593 1321205264 /nfs/dbraw/zinc/20/52/64/1321205264.db2.gz HYUUUYLOPZEFOU-UHFFFAOYSA-N 1 0 325.456 3.079 20 10 EGCDRO CCOc1c(C[NH2+]CCc2ccc(N)cc2)c(C)nn1CC(C)C ZINC000841036997 1321206263 /nfs/dbraw/zinc/20/62/63/1321206263.db2.gz RFMOPBCHVRDTLO-UHFFFAOYSA-N 1 0 330.476 3.161 20 10 EGCDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(N)cc2)c1 ZINC000841302334 1321250339 /nfs/dbraw/zinc/25/03/39/1321250339.db2.gz UFSIBFPMCDBISD-UHFFFAOYSA-N 1 0 326.444 3.432 20 10 EGCDRO C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841306968 1321251823 /nfs/dbraw/zinc/25/18/23/1321251823.db2.gz PFQJCLQFOYYSGA-CQSZACIVSA-N 1 0 326.444 3.355 20 10 EGCDRO CCC(CC)[C@H](CNC(=O)NCCc1ccc(N)cc1)[NH+]1CCCC1 ZINC000841676884 1321295198 /nfs/dbraw/zinc/29/51/98/1321295198.db2.gz PGFXEKHUUIZPGM-IBGZPJMESA-N 1 0 346.519 3.011 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841744992 1321305273 /nfs/dbraw/zinc/30/52/73/1321305273.db2.gz LWMLCSBXJNAYKJ-LBPRGKRZSA-N 1 0 336.819 3.317 20 10 EGCDRO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841957354 1321332208 /nfs/dbraw/zinc/33/22/08/1321332208.db2.gz ILUNMXKPSRJYPX-INIZCTEOSA-N 1 0 345.443 3.215 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841981704 1321333380 /nfs/dbraw/zinc/33/33/80/1321333380.db2.gz GWGSUZBQOAEPRN-QZTJIDSGSA-N 1 0 344.503 3.088 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000841998778 1321334077 /nfs/dbraw/zinc/33/40/77/1321334077.db2.gz YZNQIMUYCPWUFU-KRWDZBQOSA-N 1 0 327.428 3.014 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842005583 1321334979 /nfs/dbraw/zinc/33/49/79/1321334979.db2.gz QOJCZIRUPCOXRY-KRWDZBQOSA-N 1 0 333.476 3.236 20 10 EGCDRO Fc1cc(C[NH2+]C2CCC(F)(F)CC2)cc(F)c1N1CCOCC1 ZINC000842710396 1321422471 /nfs/dbraw/zinc/42/24/71/1321422471.db2.gz MBQJFFNYPZZGNR-UHFFFAOYSA-N 1 0 346.368 3.469 20 10 EGCDRO Cc1cc(Br)cc(CN2CCCC[C@@H]2[C@H](C)[NH3+])c1O ZINC000843044647 1321460649 /nfs/dbraw/zinc/46/06/49/1321460649.db2.gz DLGQGIAQDYZDMF-SMDDNHRTSA-N 1 0 327.266 3.165 20 10 EGCDRO COc1cccc(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1O ZINC000843053313 1321461950 /nfs/dbraw/zinc/46/19/50/1321461950.db2.gz VGGDZPUYEIYTCJ-SFHVURJKSA-N 1 0 326.440 3.155 20 10 EGCDRO CCN(CC)c1ncc(CN2CCCc3cc(C[NH3+])ccc32)s1 ZINC000843057204 1321464087 /nfs/dbraw/zinc/46/40/87/1321464087.db2.gz HDSWYBOFAVFDFD-UHFFFAOYSA-N 1 0 330.501 3.401 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000843123487 1321473187 /nfs/dbraw/zinc/47/31/87/1321473187.db2.gz KLTWHSINXMHCBZ-ZDUSSCGKSA-N 1 0 327.266 3.166 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc(Cc2ccccc2)no1 ZINC000843350560 1321504137 /nfs/dbraw/zinc/50/41/37/1321504137.db2.gz OZEFSXVARHGEMT-UHFFFAOYSA-N 1 0 334.423 3.072 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1O ZINC000843417434 1321514208 /nfs/dbraw/zinc/51/42/08/1321514208.db2.gz UFCQLZLKKHLLDK-SWLSCSKDSA-N 1 0 325.836 3.445 20 10 EGCDRO Cc1cc(C(=O)NCCC[NH2+]C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000843511977 1321524149 /nfs/dbraw/zinc/52/41/49/1321524149.db2.gz CUCMLHKLOACCKX-UHFFFAOYSA-N 1 0 329.419 3.105 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)cc1F ZINC000844182734 1321576519 /nfs/dbraw/zinc/57/65/19/1321576519.db2.gz KQFBADHYMGEQTE-LJQANCHMSA-N 1 0 343.446 3.297 20 10 EGCDRO COC(=O)c1ccc([C@H](C)[N@H+](C)CCN(C)c2ccc(OC)cc2)o1 ZINC000844399754 1321600537 /nfs/dbraw/zinc/60/05/37/1321600537.db2.gz NUYACYJUAQNPID-AWEZNQCLSA-N 1 0 346.427 3.204 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc(C(C)=O)c2)cc1 ZINC000844401193 1321600807 /nfs/dbraw/zinc/60/08/07/1321600807.db2.gz IQIXXPWAGYZFCP-UHFFFAOYSA-N 1 0 326.440 3.466 20 10 EGCDRO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+]1CCCC[C@H]1C ZINC000844879611 1321653386 /nfs/dbraw/zinc/65/33/86/1321653386.db2.gz IXACURLAYNMEKL-CHWSQXEVSA-N 1 0 339.867 3.108 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3c(n2)CCC3)cc1 ZINC000846052847 1321765457 /nfs/dbraw/zinc/76/54/57/1321765457.db2.gz TXEZTOZGNFHKIO-UHFFFAOYSA-N 1 0 325.456 3.147 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)COCC2CC2)c1O ZINC000846073671 1321766452 /nfs/dbraw/zinc/76/64/52/1321766452.db2.gz OQHOHYWOFZQQQC-SNVBAGLBSA-N 1 0 344.249 3.068 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1O ZINC000846136036 1321770299 /nfs/dbraw/zinc/77/02/99/1321770299.db2.gz GENFEHOJQAEFSU-ZBFHGGJFSA-N 1 0 330.428 3.482 20 10 EGCDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846140346 1321770645 /nfs/dbraw/zinc/77/06/45/1321770645.db2.gz OSOXJEMNPHIJOP-CYBMUJFWSA-N 1 0 328.412 3.001 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000846144328 1321771204 /nfs/dbraw/zinc/77/12/04/1321771204.db2.gz KLMVQOZIXSVWLJ-HIFRSBDPSA-N 1 0 340.423 3.136 20 10 EGCDRO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3cccc(OC)c3O)C2)c1 ZINC000846146623 1321771538 /nfs/dbraw/zinc/77/15/38/1321771538.db2.gz RIUYEPHHPILGEQ-HUUCEWRRSA-N 1 0 342.439 3.339 20 10 EGCDRO Cc1cc(C(=O)NCCC2(C[NH3+])CC2)c(C)n1-c1ccccc1C ZINC000846691223 1321801826 /nfs/dbraw/zinc/80/18/26/1321801826.db2.gz FEDXIMHEWYHSNY-UHFFFAOYSA-N 1 0 325.456 3.261 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccnc(OC)c3)C2)cc1 ZINC000848552973 1321975208 /nfs/dbraw/zinc/97/52/08/1321975208.db2.gz GXFVIGLVWDGQMQ-JKSUJKDBSA-N 1 0 341.455 3.276 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)c1O ZINC000848560158 1321976109 /nfs/dbraw/zinc/97/61/09/1321976109.db2.gz ZGCCUXRMQUHYOK-WBMJQRKESA-N 1 0 326.396 3.005 20 10 EGCDRO CCc1cccc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000848880539 1322026302 /nfs/dbraw/zinc/02/63/02/1322026302.db2.gz GIPSKSJBKRINPG-UHFFFAOYSA-N 1 0 338.451 3.479 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O ZINC000848882635 1322029217 /nfs/dbraw/zinc/02/92/17/1322029217.db2.gz WKJXCMITMSPOSR-MRXNPFEDSA-N 1 0 344.499 3.425 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1O ZINC000848889761 1322030881 /nfs/dbraw/zinc/03/08/81/1322030881.db2.gz MFXPCUKPXLAUJJ-UHFFFAOYSA-N 1 0 330.472 3.322 20 10 EGCDRO CCCNC(=O)c1cccc(C[NH2+]Cc2cccc(CC)c2O)c1 ZINC000848893842 1322032618 /nfs/dbraw/zinc/03/26/18/1322032618.db2.gz IJOJTKMVQOJOJL-UHFFFAOYSA-N 1 0 326.440 3.384 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1O ZINC000848894487 1322033746 /nfs/dbraw/zinc/03/37/46/1322033746.db2.gz MEYKTTUATHUHQY-UHFFFAOYSA-N 1 0 344.430 3.220 20 10 EGCDRO CCc1cccc(C[NH2+]CCOc2cc(OC)cc(OC)c2)c1O ZINC000848900027 1322037009 /nfs/dbraw/zinc/03/70/09/1322037009.db2.gz XAZOBCKXCYHMRY-UHFFFAOYSA-N 1 0 331.412 3.140 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(C)cc2N2CCOCC2)c1O ZINC000848899273 1322037106 /nfs/dbraw/zinc/03/71/06/1322037106.db2.gz MFYUJDQIUXHSJN-UHFFFAOYSA-N 1 0 340.467 3.389 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1O ZINC000848901887 1322039383 /nfs/dbraw/zinc/03/93/83/1322039383.db2.gz FRZACVLHGFAFHV-MRXNPFEDSA-N 1 0 346.858 3.042 20 10 EGCDRO Cc1cnc(OC2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)nc1 ZINC000848925592 1322047048 /nfs/dbraw/zinc/04/70/48/1322047048.db2.gz XSMBMUJOSIKVRM-UHFFFAOYSA-N 1 0 340.471 3.203 20 10 EGCDRO CN(C)c1ccc(C[N@H+](CCC(=O)NC2CCCC2)C2CC2)cc1 ZINC000919648455 1322089621 /nfs/dbraw/zinc/08/96/21/1322089621.db2.gz SLSGVVQMALPZCB-UHFFFAOYSA-N 1 0 329.488 3.166 20 10 EGCDRO COc1cc(C[NH2+]CCCNc2ncccn2)c(O)c(C(C)(C)C)c1 ZINC000850178610 1322202405 /nfs/dbraw/zinc/20/24/05/1322202405.db2.gz DMJZNEPUVCVDHX-UHFFFAOYSA-N 1 0 344.459 3.080 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850180668 1322202922 /nfs/dbraw/zinc/20/29/22/1322202922.db2.gz BWUCUBJWSYYOPD-DZGCQCFKSA-N 1 0 332.488 3.413 20 10 EGCDRO COc1cc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850180671 1322203350 /nfs/dbraw/zinc/20/33/50/1322203350.db2.gz BWUCUBJWSYYOPD-ZFWWWQNUSA-N 1 0 332.488 3.413 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(N(C)C)cc1 ZINC000850252057 1322217481 /nfs/dbraw/zinc/21/74/81/1322217481.db2.gz LCNOQBHJBRDVGF-LLVKDONJSA-N 1 0 326.366 3.356 20 10 EGCDRO CCCN1C[C@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1=O ZINC000850328886 1322229403 /nfs/dbraw/zinc/22/94/03/1322229403.db2.gz ZSKCNLNSDBIYCP-AWEZNQCLSA-N 1 0 348.487 3.046 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2c(C3CC3)cnn2C)ccc1OC ZINC000850380048 1322235607 /nfs/dbraw/zinc/23/56/07/1322235607.db2.gz NXUFRGWOKYVNSP-UHFFFAOYSA-N 1 0 329.444 3.132 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)ccc1OC ZINC000850381485 1322236158 /nfs/dbraw/zinc/23/61/58/1322236158.db2.gz GIFMEQZKPAGQRR-SFHVURJKSA-N 1 0 345.414 3.464 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cc(F)ccc3F)cc2)CC1 ZINC000850406024 1322240742 /nfs/dbraw/zinc/24/07/42/1322240742.db2.gz OQNOURKKRWSQRR-UHFFFAOYSA-N 1 0 332.394 3.216 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4cccnc43)cc2)CC1 ZINC000850405938 1322241111 /nfs/dbraw/zinc/24/11/11/1322241111.db2.gz LFAUWFOIPBJQLX-UHFFFAOYSA-N 1 0 347.462 3.486 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c(O)c1 ZINC000850416362 1322242876 /nfs/dbraw/zinc/24/28/76/1322242876.db2.gz IREWDSLQGZGJLA-SFHVURJKSA-N 1 0 326.440 3.155 20 10 EGCDRO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850425750 1322246848 /nfs/dbraw/zinc/24/68/48/1322246848.db2.gz XBCKBNOXGUQVKF-QGZVFWFLSA-N 1 0 328.485 3.061 20 10 EGCDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1cccc(OC)c1 ZINC000850513617 1322259537 /nfs/dbraw/zinc/25/95/37/1322259537.db2.gz HQDYTRXQBLRMEW-GUYCJALGSA-N 1 0 331.412 3.448 20 10 EGCDRO CC[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000850557137 1322266318 /nfs/dbraw/zinc/26/63/18/1322266318.db2.gz LLBZZGWCZIDZMY-UXHICEINSA-N 1 0 331.504 3.047 20 10 EGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850567360 1322269692 /nfs/dbraw/zinc/26/96/92/1322269692.db2.gz AQDACQPOYNIDGI-ZDUSSCGKSA-N 1 0 331.485 3.263 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000850567466 1322269953 /nfs/dbraw/zinc/26/99/53/1322269953.db2.gz CTDCOTOLFIYYPR-LJQANCHMSA-N 1 0 338.451 3.130 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921582095 1322358164 /nfs/dbraw/zinc/35/81/64/1322358164.db2.gz QEHICTQFVZCAGW-UHFFFAOYSA-N 1 0 338.451 3.138 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)ccc1OC ZINC000922893029 1322643127 /nfs/dbraw/zinc/64/31/27/1322643127.db2.gz FSHYJPBBHSSJLS-IBGZPJMESA-N 1 0 331.460 3.452 20 10 EGCDRO CC(C)[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1cnn(C)c1 ZINC000922896386 1322644037 /nfs/dbraw/zinc/64/40/37/1322644037.db2.gz UMFVTYXKFXYUPN-OAHLLOKOSA-N 1 0 338.249 3.375 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(C4CC4)no3)CC2)cc1 ZINC000851733166 1323076800 /nfs/dbraw/zinc/07/68/00/1323076800.db2.gz LWPKPDUTOGYJNA-UHFFFAOYSA-N 1 0 327.428 3.273 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)ccc1N(C)C ZINC000852091645 1323144486 /nfs/dbraw/zinc/14/44/86/1323144486.db2.gz IFHUAHXHQALCFJ-IBGZPJMESA-N 1 0 327.472 3.305 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnnn1-c1ccccc1 ZINC000924862253 1323190046 /nfs/dbraw/zinc/19/00/46/1323190046.db2.gz PYGXTZLSWMFIAY-CQSZACIVSA-N 1 0 339.418 3.323 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000852800825 1323242901 /nfs/dbraw/zinc/24/29/01/1323242901.db2.gz SNRRQFRDIKUXNO-UHFFFAOYSA-N 1 0 330.453 3.152 20 10 EGCDRO Cc1cc(CC[NH2+]C[C@@H](O)c2ccccn2)c(C)n1-c1ccccc1 ZINC000853061832 1323272111 /nfs/dbraw/zinc/27/21/11/1323272111.db2.gz GNHCLGHEDDBDFM-OAQYLSRUSA-N 1 0 335.451 3.355 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CCC3CC3)C2)cc1C ZINC001026740486 1324998151 /nfs/dbraw/zinc/99/81/51/1324998151.db2.gz OOXYIDJNAYVUHR-GOSISDBHSA-N 1 0 330.472 3.132 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CC3CCC3)C2)cc1C ZINC001026753234 1325002871 /nfs/dbraw/zinc/00/28/71/1325002871.db2.gz FJPDBGDBRHGODG-SFHVURJKSA-N 1 0 330.472 3.132 20 10 EGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)C3([NH+](C)C)CC3)cc2Cl)C1 ZINC000854345606 1325250243 /nfs/dbraw/zinc/25/02/43/1325250243.db2.gz ZYTXETZSIFYGMV-CQSZACIVSA-N 1 0 349.906 3.287 20 10 EGCDRO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000857069955 1325567440 /nfs/dbraw/zinc/56/74/40/1325567440.db2.gz XTTFFRPMGOIFLI-BEFAXECRSA-N 1 0 332.444 3.271 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)Cc3ccccn3)C2)cc1 ZINC000926613962 1327635477 /nfs/dbraw/zinc/63/54/77/1327635477.db2.gz WLAPPTKTFJQHOI-IRXDYDNUSA-N 1 0 325.456 3.137 20 10 EGCDRO OCCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926725076 1327685117 /nfs/dbraw/zinc/68/51/17/1327685117.db2.gz ODVNETADJGYFAH-RXVVDRJESA-N 1 0 346.515 3.069 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)C[C@H]2CCC(=O)N2)c(C)n1-c1ccccc1 ZINC000926765426 1327706905 /nfs/dbraw/zinc/70/69/05/1327706905.db2.gz UDDPCEZLNFLXPZ-RDTXWAMCSA-N 1 0 325.456 3.241 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000862374479 1329479763 /nfs/dbraw/zinc/47/97/63/1329479763.db2.gz MQVAHPOFORRQTD-ZDUSSCGKSA-N 1 0 340.261 3.403 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1F ZINC000862229902 1329468458 /nfs/dbraw/zinc/46/84/58/1329468458.db2.gz REQPIQLKWYELCQ-ZDUSSCGKSA-N 1 0 334.414 3.144 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000862350848 1329477057 /nfs/dbraw/zinc/47/70/57/1329477057.db2.gz DFTLKBQJSQNWIZ-CYBMUJFWSA-N 1 0 349.228 3.203 20 10 EGCDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862367990 1329478344 /nfs/dbraw/zinc/47/83/44/1329478344.db2.gz AREPNFQZWKPJJK-OAHLLOKOSA-N 1 0 328.250 3.282 20 10 EGCDRO COc1c(O)c(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000862442560 1329487654 /nfs/dbraw/zinc/48/76/54/1329487654.db2.gz IJZMKKXHUCCDKD-NXEZZACHSA-N 1 0 330.331 3.032 20 10 EGCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000862476613 1329489624 /nfs/dbraw/zinc/48/96/24/1329489624.db2.gz WKIWWVYRWKLQIZ-CQSZACIVSA-N 1 0 328.412 3.216 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 ZINC000862479026 1329489653 /nfs/dbraw/zinc/48/96/53/1329489653.db2.gz ZJYYQRIXEPHARK-KXBFYZLASA-N 1 0 332.444 3.047 20 10 EGCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1OC(=O)C1CC1 ZINC000862476267 1329489695 /nfs/dbraw/zinc/48/96/95/1329489695.db2.gz NZUIWIWHEXVDNM-UHFFFAOYSA-N 1 0 341.407 3.314 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000862482386 1329490200 /nfs/dbraw/zinc/49/02/00/1329490200.db2.gz HESSYHCWLSOXEF-HXUWFJFHSA-N 1 0 327.424 3.275 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)c1 ZINC000862536222 1329493496 /nfs/dbraw/zinc/49/34/96/1329493496.db2.gz FYSUMAQHDWVRNZ-SFHVURJKSA-N 1 0 341.407 3.063 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000865792332 1329738899 /nfs/dbraw/zinc/73/88/99/1329738899.db2.gz FCMKFAICIFSOIG-KOMQPUFPSA-N 1 0 334.460 3.402 20 10 EGCDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000866414237 1330109158 /nfs/dbraw/zinc/10/91/58/1330109158.db2.gz BBYBCXXHTGSGFW-GJZGRUSLSA-N 1 0 340.895 3.378 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1O ZINC000866642145 1330136907 /nfs/dbraw/zinc/13/69/07/1330136907.db2.gz DHZVTLNQFWRWBP-LBPRGKRZSA-N 1 0 328.412 3.231 20 10 EGCDRO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016370257 1338573226 /nfs/dbraw/zinc/57/32/26/1338573226.db2.gz ZSXCKNGMXINYGT-MRXNPFEDSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1C ZINC001029130056 1340937744 /nfs/dbraw/zinc/93/77/44/1340937744.db2.gz PUUDRIIYTRWIOX-QOKNQOGYSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)c2ccc[nH]2)cc1C ZINC001036945451 1343886866 /nfs/dbraw/zinc/88/68/66/1343886866.db2.gz YSKYBKXRVQGJPN-DLBZAZTESA-N 1 0 341.455 3.020 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CCC3)[C@@H](C)C2)cc1C ZINC001044404065 1346318226 /nfs/dbraw/zinc/31/82/26/1346318226.db2.gz MQTSYVBVSFUFSY-MAUKXSAKSA-N 1 0 330.472 3.273 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(F)CCCC2)cc1C ZINC001045098195 1346494680 /nfs/dbraw/zinc/49/46/80/1346494680.db2.gz YGMSUBYIKYPVJO-KRWDZBQOSA-N 1 0 348.462 3.367 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C3=CCCC3)C2)cc1C ZINC001047790491 1347372739 /nfs/dbraw/zinc/37/27/39/1347372739.db2.gz NKNBGBHJIUIFHH-QFBILLFUSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]2C)cc1C ZINC001054392330 1349347141 /nfs/dbraw/zinc/34/71/41/1349347141.db2.gz RAGIKFDMCOAJCT-NVXWUHKLSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)C3CC3)C[C@H]2C)cc1C ZINC001054992779 1349542892 /nfs/dbraw/zinc/54/28/92/1349542892.db2.gz WGLGYOCRLXIFFO-CRAIPNDOSA-N 1 0 344.499 3.376 20 10 EGCDRO CCCC[NH+]1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC001233110287 1376570864 /nfs/dbraw/zinc/57/08/64/1376570864.db2.gz JXRUDOUBGBZVCJ-UHFFFAOYSA-N 1 0 341.293 3.381 20 10 EGCDRO CCCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001072163068 1355160818 /nfs/dbraw/zinc/16/08/18/1355160818.db2.gz JRSWHFFBIOYQHJ-YJBOKZPZSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(C)CC2)cc1C ZINC001085205556 1358432712 /nfs/dbraw/zinc/43/27/12/1358432712.db2.gz XNJXYYKWXBIESB-IAGOWNOFSA-N 1 0 330.472 3.321 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC001324066752 1387525549 /nfs/dbraw/zinc/52/55/49/1387525549.db2.gz MLIAHOZAZUELNF-UHFFFAOYSA-N 1 0 332.513 3.385 20 10 EGCDRO CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194368621 1368246471 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COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)c2ccccc2)cc1C ZINC001148142005 1379124267 /nfs/dbraw/zinc/12/42/67/1379124267.db2.gz BGAFJHRRSGYBQK-INIZCTEOSA-N 1 0 326.440 3.013 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(Cl)s2)cc1C ZINC001149947915 1379471281 /nfs/dbraw/zinc/47/12/81/1379471281.db2.gz GDUGULDWTCNBPZ-UHFFFAOYSA-N 1 0 338.860 3.238 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2oc(C)cc2C)cc1C ZINC001156321881 1380558836 /nfs/dbraw/zinc/55/88/36/1380558836.db2.gz ZEZDFWQVDQPTAV-UHFFFAOYSA-N 1 0 330.428 3.123 20 10 EGCDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(C(C)C)n1 ZINC001156650696 1380604260 /nfs/dbraw/zinc/60/42/60/1380604260.db2.gz CGKMBYQPDVJPSJ-UHFFFAOYSA-N 1 0 339.487 3.272 20 10 EGCDRO COc1ccc2c(cc[nH+]c2NCCc2cc(O)c(O)cc2O)c1 ZINC001157240326 1380820938 /nfs/dbraw/zinc/82/09/38/1380820938.db2.gz WDYCCCOKCMQQSG-UHFFFAOYSA-N 1 0 326.352 3.015 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001157435828 1380892523 /nfs/dbraw/zinc/89/25/23/1380892523.db2.gz WYPXQRQMVCBVKA-YJBOKZPZSA-N 1 0 330.472 3.266 20 10 EGCDRO CC[NH+]1CCC(CC2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC001161047040 1382283190 /nfs/dbraw/zinc/28/31/90/1382283190.db2.gz DXOQKQIVHLBJQN-UHFFFAOYSA-N 1 0 343.515 3.172 20 10 EGCDRO Cc1c(C(=O)N2CC[NH2+]C2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001161418483 1382403480 /nfs/dbraw/zinc/40/34/80/1382403480.db2.gz BKBGKDPISSLBOI-UHFFFAOYSA-N 1 0 331.419 3.456 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1C ZINC001163065753 1382959495 /nfs/dbraw/zinc/95/94/95/1382959495.db2.gz QFHZJJFTOABCRR-GBESFXJTSA-N 1 0 344.499 3.426 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncc2c(n1)CC[NH2+]C2 ZINC001163486632 1383062857 /nfs/dbraw/zinc/06/28/57/1383062857.db2.gz KUYRHLCQDYJAQS-SFHVURJKSA-N 1 0 338.455 3.180 20 10 EGCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1N(C)C ZINC001167436932 1383633643 /nfs/dbraw/zinc/63/36/43/1383633643.db2.gz HRDYJYWFXSXIDA-UHFFFAOYSA-N 1 0 338.499 3.425 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C(C)(C)C)CC2)cc1C ZINC001167829672 1383751873 /nfs/dbraw/zinc/75/18/73/1383751873.db2.gz PGPKFWYYBOCDPR-UHFFFAOYSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C(C)(F)F)cc1C ZINC001168747278 1383990864 /nfs/dbraw/zinc/99/08/64/1383990864.db2.gz FAQYDYIBAUWELE-AWEZNQCLSA-N 1 0 342.430 3.423 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169144653 1384114181 /nfs/dbraw/zinc/11/41/81/1384114181.db2.gz LKMSQFHWFNSECR-MUJYYYPQSA-N 1 0 339.483 3.170 20 10 EGCDRO C[C@@]1([NH2+]Cc2c(O)cccc2Br)CCO[C@@H]1C1CC1 ZINC001329007752 1388926765 /nfs/dbraw/zinc/92/67/65/1388926765.db2.gz DDKDDFXTSSVBDN-HUUCEWRRSA-N 1 0 326.234 3.202 20 10 EGCDRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001172973303 1384893310 /nfs/dbraw/zinc/89/33/10/1384893310.db2.gz ZPWYWFSODJETKI-AWEZNQCLSA-N 1 0 334.460 3.396 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1O ZINC001172995482 1384895878 /nfs/dbraw/zinc/89/58/78/1384895878.db2.gz NVUMSRXPOULSDV-AWEZNQCLSA-N 1 0 342.414 3.487 20 10 EGCDRO CC[C@H]1CC[C@H]([NH+]2CCN(c3ccc(OCCOC)cc3)CC2)C1 ZINC001173293412 1384952805 /nfs/dbraw/zinc/95/28/05/1384952805.db2.gz LFDCTFSNFPFZKU-HKUYNNGSSA-N 1 0 332.488 3.413 20 10 EGCDRO CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001176797002 1385703718 /nfs/dbraw/zinc/70/37/18/1385703718.db2.gz SJHCKHCDNFYOJT-CYBMUJFWSA-N 1 0 333.436 3.137 20 10 EGCDRO CCCNC(=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319822960 1386318253 /nfs/dbraw/zinc/31/82/53/1386318253.db2.gz IMFZTBSVKTZFOX-UHFFFAOYSA-N 1 0 329.488 3.025 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC001320118858 1386525267 /nfs/dbraw/zinc/52/52/67/1386525267.db2.gz SFAXSHFEYJYXMQ-RDJZCZTQSA-N 1 0 338.451 3.497 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC001336319321 1389068002 /nfs/dbraw/zinc/06/80/02/1389068002.db2.gz MQUQRTSPXJNVFG-BBRMVZONSA-N 1 0 342.414 3.408 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1cccc(F)c1 ZINC001331272694 1389680101 /nfs/dbraw/zinc/68/01/01/1389680101.db2.gz UGOSTYNSRFZDST-BBATYDOGSA-N 1 0 338.373 3.382 20 10 EGCDRO COc1cccc(C2(C[NH2+]Cc3ccc(OC)c(OC)c3O)CC2)c1 ZINC001352065770 1391754512 /nfs/dbraw/zinc/75/45/12/1391754512.db2.gz XIWGGNONIKHLHO-UHFFFAOYSA-N 1 0 343.423 3.239 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC2(C)C)cc1C ZINC001700660425 1414320640 /nfs/dbraw/zinc/32/06/40/1414320640.db2.gz VSDRLUIXHUTXKL-DOTOQJQBSA-N 1 0 332.488 3.424 20 10 EGCDRO CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC[NH+](CC)CC1 ZINC001752441824 1440181495 /nfs/dbraw/zinc/18/14/95/1440181495.db2.gz MUKWGUAHBBHPRB-UHFFFAOYSA-N 1 0 345.447 3.186 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2CC3(CC3)C2)cc1C ZINC001753631738 1440452308 /nfs/dbraw/zinc/45/23/08/1440452308.db2.gz YZRTWGFUCICIMF-AWEZNQCLSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC(F)(F)C2)cc1C ZINC001755230438 1440786823 /nfs/dbraw/zinc/78/68/23/1440786823.db2.gz JZGWUSNITLTSJY-QWHCGFSZSA-N 1 0 340.414 3.032 20 10 EGCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000021998144 212268884 /nfs/dbraw/zinc/26/88/84/212268884.db2.gz YHDDRYZFEQIHKK-UHFFFAOYSA-N 1 0 339.464 3.320 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(Cn3cncn3)CC2)cc1 ZINC000189980668 455265136 /nfs/dbraw/zinc/26/51/36/455265136.db2.gz CZAKBLPDJFWDHB-UHFFFAOYSA-N 1 0 327.476 3.037 20 10 EGCDRO CCc1nc(CN(CC)Cc2cc(Br)ccc2O)no1 ZINC000174423970 455390112 /nfs/dbraw/zinc/39/01/12/455390112.db2.gz XLVJBLPTSAZACE-UHFFFAOYSA-N 1 0 340.221 3.122 20 10 EGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cc[nH]c1 ZINC000086251213 454045687 /nfs/dbraw/zinc/04/56/87/454045687.db2.gz OOCVCVICXHRKNT-UHFFFAOYSA-N 1 0 339.361 3.160 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000089515949 454158528 /nfs/dbraw/zinc/15/85/28/454158528.db2.gz IFRRXQLQABCBLE-HNNXBMFYSA-N 1 0 341.455 3.441 20 10 EGCDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000120320235 454286428 /nfs/dbraw/zinc/28/64/28/454286428.db2.gz DYNHIBWYIKYKHH-MRXNPFEDSA-N 1 0 341.455 3.351 20 10 EGCDRO COCc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000160169921 455434180 /nfs/dbraw/zinc/43/41/80/455434180.db2.gz VQEAAINHYHYKKP-MRXNPFEDSA-N 1 0 331.412 3.313 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCCO1 ZINC000160175182 455435117 /nfs/dbraw/zinc/43/51/17/455435117.db2.gz MYAXQOMNVHCYLQ-GOSISDBHSA-N 1 0 337.423 3.450 20 10 EGCDRO C[C@H](CC[NH+](C)C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000062507616 454379223 /nfs/dbraw/zinc/37/92/23/454379223.db2.gz OOZAODWMMWUUPP-QGZVFWFLSA-N 1 0 346.519 3.159 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000121143677 454397042 /nfs/dbraw/zinc/39/70/42/454397042.db2.gz PTMNKJLFALRBEP-MRXNPFEDSA-N 1 0 326.440 3.261 20 10 EGCDRO C[C@H](NCC[N@H+](C)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000133299086 454410924 /nfs/dbraw/zinc/41/09/24/454410924.db2.gz IQGQAUSNBQGPTJ-INIZCTEOSA-N 1 0 349.494 3.187 20 10 EGCDRO C[NH+](C)CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000073324479 454421520 /nfs/dbraw/zinc/42/15/20/454421520.db2.gz RXVPRJQOYOMWQY-INIZCTEOSA-N 1 0 331.485 3.383 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1 ZINC000091795734 454473100 /nfs/dbraw/zinc/47/31/00/454473100.db2.gz PWQCJLRXRLVCIF-UHFFFAOYSA-N 1 0 327.476 3.041 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092071295 454516239 /nfs/dbraw/zinc/51/62/39/454516239.db2.gz RUCHNTQMSCILDL-NSHDSACASA-N 1 0 336.233 3.257 20 10 EGCDRO CCCOc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)c(O)c1 ZINC000092810503 454638669 /nfs/dbraw/zinc/63/86/69/454638669.db2.gz VXHOLVUHRCJISY-UHFFFAOYSA-N 1 0 329.444 3.294 20 10 EGCDRO CC[NH+](CC)[C@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000105650874 454648569 /nfs/dbraw/zinc/64/85/69/454648569.db2.gz JRPUVQXDZBBXOA-SFHVURJKSA-N 1 0 342.439 3.100 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000093413543 454713854 /nfs/dbraw/zinc/71/38/54/454713854.db2.gz MKHGGRAFHPDDGN-INIZCTEOSA-N 1 0 341.455 3.065 20 10 EGCDRO COCC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000124642971 454755743 /nfs/dbraw/zinc/75/57/43/454755743.db2.gz GYKRHSAXEWAMER-UONOGXRCSA-N 1 0 328.403 3.271 20 10 EGCDRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769636 454836025 /nfs/dbraw/zinc/83/60/25/454836025.db2.gz NWVJVQJHWIHZLD-LSDHHAIUSA-N 1 0 342.439 3.099 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000154851544 454936215 /nfs/dbraw/zinc/93/62/15/454936215.db2.gz GGIYPMCVDUHGLK-UHFFFAOYSA-N 1 0 333.476 3.242 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cncc(F)c1 ZINC000151585620 455004753 /nfs/dbraw/zinc/00/47/53/455004753.db2.gz MSJNBOFXZBOBAK-HNNXBMFYSA-N 1 0 343.446 3.280 20 10 EGCDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000179706482 455068711 /nfs/dbraw/zinc/06/87/11/455068711.db2.gz SUYDZBAXJCEIST-HXUWFJFHSA-N 1 0 325.456 3.199 20 10 EGCDRO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179725434 455070997 /nfs/dbraw/zinc/07/09/97/455070997.db2.gz NOEWOWIJFKZQQB-UHFFFAOYSA-N 1 0 344.842 3.394 20 10 EGCDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(C)n1-c1cccc(Cl)c1 ZINC000237678677 455206403 /nfs/dbraw/zinc/20/64/03/455206403.db2.gz AWROWMDTUUGEND-UHFFFAOYSA-N 1 0 331.847 3.311 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)N(CC)Cc1ccccc1)c1ccccc1O ZINC000183330611 455278710 /nfs/dbraw/zinc/27/87/10/455278710.db2.gz DYFKMWLUDAOFPL-GOSISDBHSA-N 1 0 326.440 3.482 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NCc3cc(F)ccc3O)c2)CC1 ZINC000184571798 455405630 /nfs/dbraw/zinc/40/56/30/455405630.db2.gz NYMPRTAWMRFJIQ-UHFFFAOYSA-N 1 0 329.419 3.285 20 10 EGCDRO COc1cccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1O ZINC000184786508 455447932 /nfs/dbraw/zinc/44/79/32/455447932.db2.gz GMNUNYNTDDNKGO-SFHVURJKSA-N 1 0 327.424 3.174 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000182405377 455506941 /nfs/dbraw/zinc/50/69/41/455506941.db2.gz GUDDLIGKEGMUQX-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](CCO)c3ccccc3)CC2)cc1 ZINC000161020333 455524027 /nfs/dbraw/zinc/52/40/27/455524027.db2.gz WWVSSFMZZPTDLJ-OAQYLSRUSA-N 1 0 340.467 3.377 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1OC ZINC000192037210 455546385 /nfs/dbraw/zinc/54/63/85/455546385.db2.gz GQQVFRGYLZCMCW-YWZLYKJASA-N 1 0 343.423 3.277 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c(O)c1 ZINC000185446608 455558860 /nfs/dbraw/zinc/55/88/60/455558860.db2.gz PADIVFVZSASWCJ-CYBMUJFWSA-N 1 0 332.831 3.435 20 10 EGCDRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Br)ccc1O ZINC000185474479 455563065 /nfs/dbraw/zinc/56/30/65/455563065.db2.gz GTBFCULTKMNTHH-APBUJDDRSA-N 1 0 348.306 3.353 20 10 EGCDRO CCOc1cccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1O ZINC000185705772 455601008 /nfs/dbraw/zinc/60/10/08/455601008.db2.gz JKRMDHUUAPSYPJ-UHFFFAOYSA-N 1 0 342.439 3.106 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)ccc1OC ZINC000277645104 455622878 /nfs/dbraw/zinc/62/28/78/455622878.db2.gz DWTCCWBCTNPTLJ-GOSISDBHSA-N 1 0 333.403 3.194 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096008 455635207 /nfs/dbraw/zinc/63/52/07/455635207.db2.gz MOGJKUSCCFCXDQ-CYBMUJFWSA-N 1 0 340.427 3.410 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284233974 455655613 /nfs/dbraw/zinc/65/56/13/455655613.db2.gz UTNOIEWKMQNMAK-LLVKDONJSA-N 1 0 332.379 3.233 20 10 EGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000271493378 455659062 /nfs/dbraw/zinc/65/90/62/455659062.db2.gz UWKIGMVNLMTNQK-HNNXBMFYSA-N 1 0 343.446 3.341 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1 ZINC000186013439 455674782 /nfs/dbraw/zinc/67/47/82/455674782.db2.gz BHNCAUSHRMZBTE-CQSZACIVSA-N 1 0 330.403 3.310 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1 ZINC000186013563 455674882 /nfs/dbraw/zinc/67/48/82/455674882.db2.gz FBVUMOSWQSRPTM-CYBMUJFWSA-N 1 0 346.402 3.011 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNc2cc(OC)cc(OC)c2)c1 ZINC000186154887 455704601 /nfs/dbraw/zinc/70/46/01/455704601.db2.gz UZWXRDANAGUIEV-ZDUSSCGKSA-N 1 0 346.427 3.181 20 10 EGCDRO C[C@H]([NH2+]CCOc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000268719373 455711840 /nfs/dbraw/zinc/71/18/40/455711840.db2.gz KCIXKLBVRRAOJQ-INIZCTEOSA-N 1 0 344.430 3.392 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000186191272 455712065 /nfs/dbraw/zinc/71/20/65/455712065.db2.gz JIKZDVXRFJYTHM-ZBFHGGJFSA-N 1 0 342.414 3.231 20 10 EGCDRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(F)ccc1O ZINC000186347171 455748430 /nfs/dbraw/zinc/74/84/30/455748430.db2.gz ZIKMXHSNGYHGGB-DAIYRKSASA-N 1 0 330.403 3.407 20 10 EGCDRO COCCOCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293273770 455780668 /nfs/dbraw/zinc/78/06/68/455780668.db2.gz CMTWZSYTCYYEMJ-LJQANCHMSA-N 1 0 329.440 3.319 20 10 EGCDRO COCC1(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CCOCC1 ZINC000293772588 455797559 /nfs/dbraw/zinc/79/75/59/455797559.db2.gz SSIQUUHIRGTYMW-HNNXBMFYSA-N 1 0 333.472 3.365 20 10 EGCDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000293788074 455797567 /nfs/dbraw/zinc/79/75/67/455797567.db2.gz UCIZIYIBKHZDTF-INIZCTEOSA-N 1 0 327.476 3.089 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000271893203 455798127 /nfs/dbraw/zinc/79/81/27/455798127.db2.gz XPSLUTVDBXDZPH-ZDUSSCGKSA-N 1 0 329.400 3.041 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000269248956 455821104 /nfs/dbraw/zinc/82/11/04/455821104.db2.gz ZFADKZGVPQSYGH-DOTOQJQBSA-N 1 0 325.456 3.212 20 10 EGCDRO COC[C@@H](O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294789929 455828047 /nfs/dbraw/zinc/82/80/47/455828047.db2.gz OFLDTFORBRXWNC-HKUYNNGSSA-N 1 0 329.440 3.053 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000294805985 455829041 /nfs/dbraw/zinc/82/90/41/455829041.db2.gz COKPCJUSPFJQIW-PMACEKPBSA-N 1 0 330.472 3.055 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)CC3(O)CCCC3)cc2)CC1 ZINC000294857277 455829363 /nfs/dbraw/zinc/82/93/63/455829363.db2.gz BRRUBAZSCZYBAZ-UHFFFAOYSA-N 1 0 332.488 3.039 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000278475641 455837651 /nfs/dbraw/zinc/83/76/51/455837651.db2.gz OHJRLJMKIBCXGH-WMZOPIPTSA-N 1 0 341.503 3.196 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)ccc1OC ZINC000295163812 455841397 /nfs/dbraw/zinc/84/13/97/455841397.db2.gz SORCNBMHQCACAZ-LJQANCHMSA-N 1 0 347.430 3.064 20 10 EGCDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295269100 455843851 /nfs/dbraw/zinc/84/38/51/455843851.db2.gz YZTQVSACQPVLOB-NRFANRHFSA-N 1 0 346.515 3.286 20 10 EGCDRO COC[C@@H](C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)OC ZINC000295402779 455847853 /nfs/dbraw/zinc/84/78/53/455847853.db2.gz MJDYYNBPZWNEPF-QGZVFWFLSA-N 1 0 334.485 3.136 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(C)cc1O ZINC000279923780 455877754 /nfs/dbraw/zinc/87/77/54/455877754.db2.gz AJISWWBKMKMVIP-RDJZCZTQSA-N 1 0 328.460 3.144 20 10 EGCDRO COCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280494479 455983691 /nfs/dbraw/zinc/98/36/91/455983691.db2.gz FNBAGVFIPVANMX-HNNXBMFYSA-N 1 0 346.393 3.009 20 10 EGCDRO OC1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000286224686 456004148 /nfs/dbraw/zinc/00/41/48/456004148.db2.gz SNIVCEOTLAJNJU-NPCAHTBFSA-N 1 0 340.414 3.150 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000270682993 456013449 /nfs/dbraw/zinc/01/34/49/456013449.db2.gz TXZKHRGFLHYSLC-QFBILLFUSA-N 1 0 346.377 3.040 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000270682992 456014076 /nfs/dbraw/zinc/01/40/76/456014076.db2.gz TXZKHRGFLHYSLC-LPHOPBHVSA-N 1 0 346.377 3.040 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1O ZINC000188262037 456031532 /nfs/dbraw/zinc/03/15/32/456031532.db2.gz BJUDDQZVBPYOLU-HNNXBMFYSA-N 1 0 325.836 3.445 20 10 EGCDRO COCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccc(C)o1 ZINC000272666262 456032710 /nfs/dbraw/zinc/03/27/10/456032710.db2.gz SGHUAQKEGFSACV-CQSZACIVSA-N 1 0 335.400 3.178 20 10 EGCDRO CC(C)SCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000287183068 456063802 /nfs/dbraw/zinc/06/38/02/456063802.db2.gz VIFGGNADTOHBPI-AWEZNQCLSA-N 1 0 326.481 3.455 20 10 EGCDRO CCOc1cccc(C[N@H+](CCCOC)Cc2ccncc2)c1O ZINC000289188135 456117261 /nfs/dbraw/zinc/11/72/61/456117261.db2.gz BFSUVSJFYJHABN-UHFFFAOYSA-N 1 0 330.428 3.225 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1O ZINC000289186304 456117647 /nfs/dbraw/zinc/11/76/47/456117647.db2.gz AOYPJTNGXFZGMZ-VXGBXAGGSA-N 1 0 328.250 3.225 20 10 EGCDRO CCCOc1ccc(C[N@H+]2CC=C(c3ccnn3C)CC2)c(O)c1 ZINC000289371816 456123062 /nfs/dbraw/zinc/12/30/62/456123062.db2.gz LMULZURHDMDWJR-UHFFFAOYSA-N 1 0 327.428 3.204 20 10 EGCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000289463419 456126266 /nfs/dbraw/zinc/12/62/66/456126266.db2.gz CRKRDPKAEDYTOE-MOPGFXCFSA-N 1 0 329.488 3.023 20 10 EGCDRO COC[C@@]1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])OCCc2ccccc21 ZINC000289703454 456138545 /nfs/dbraw/zinc/13/85/45/456138545.db2.gz IUEOATOFOVXDMQ-VBKZILBWSA-N 1 0 345.414 3.297 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2)CC1 ZINC000236672864 456166786 /nfs/dbraw/zinc/16/67/86/456166786.db2.gz BNFWVQPAKPWDNL-UHFFFAOYSA-N 1 0 343.515 3.319 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1OC ZINC000281225497 456170443 /nfs/dbraw/zinc/17/04/43/456170443.db2.gz KRMXZTQXKFELBO-XLNGHYISSA-N 1 0 349.471 3.171 20 10 EGCDRO Cn1c(C[NH2+]Cc2ccc3c(c2)CCO3)nc2cccc(Cl)c21 ZINC000274822212 456266294 /nfs/dbraw/zinc/26/62/94/456266294.db2.gz SCGTXCZRASRYBR-UHFFFAOYSA-N 1 0 327.815 3.451 20 10 EGCDRO CC[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 ZINC000290295897 456282177 /nfs/dbraw/zinc/28/21/77/456282177.db2.gz NFVQQKUJCPMNBE-CMKODMSKSA-N 1 0 326.440 3.288 20 10 EGCDRO CC[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000290295893 456282582 /nfs/dbraw/zinc/28/25/82/456282582.db2.gz NFVQQKUJCPMNBE-BJLQDIEVSA-N 1 0 326.440 3.288 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1nnc2n1CCCCC2 ZINC000297928758 456326918 /nfs/dbraw/zinc/32/69/18/456326918.db2.gz XLNBIISSYKPCDT-HUUCEWRRSA-N 1 0 326.444 3.438 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCn4ccnc43)C2)cc1 ZINC000297948329 456331355 /nfs/dbraw/zinc/33/13/55/456331355.db2.gz YMPZGHZHUBNAPN-XJKSGUPXSA-N 1 0 348.397 3.188 20 10 EGCDRO CCOCc1cc(C[NH2+]CCC(OCC)OCC)ccc1OC ZINC000276067634 456382955 /nfs/dbraw/zinc/38/29/55/456382955.db2.gz CSHZRHUQLLVSCJ-UHFFFAOYSA-N 1 0 325.449 3.111 20 10 EGCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CCC1 ZINC000276824644 456591393 /nfs/dbraw/zinc/59/13/93/456591393.db2.gz AXJYTCDEPXERIY-CQSZACIVSA-N 1 0 330.472 3.228 20 10 EGCDRO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000282739254 456610449 /nfs/dbraw/zinc/61/04/49/456610449.db2.gz NARUPWYITAGFSM-CYBMUJFWSA-N 1 0 328.460 3.468 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000291626365 456699781 /nfs/dbraw/zinc/69/97/81/456699781.db2.gz RYUYNCIDZZWKML-LPHOPBHVSA-N 1 0 347.842 3.310 20 10 EGCDRO CCNC(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000277418306 456818174 /nfs/dbraw/zinc/81/81/74/456818174.db2.gz MIDZADWIWSCLEQ-UHFFFAOYSA-N 1 0 329.488 3.073 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000349430198 456967650 /nfs/dbraw/zinc/96/76/50/456967650.db2.gz RFFULMBYNOGZQP-OAHLLOKOSA-N 1 0 342.487 3.160 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000349456412 456972595 /nfs/dbraw/zinc/97/25/95/456972595.db2.gz BNANPWQQGZOQLG-HOTGVXAUSA-N 1 0 342.487 3.159 20 10 EGCDRO Cc1cc(C[N@@H+]2CCOC3(CCOCC3)C2)ccc1N1CCCCC1 ZINC000408519540 457576991 /nfs/dbraw/zinc/57/69/91/457576991.db2.gz QHHPQFHDTQWWSC-UHFFFAOYSA-N 1 0 344.499 3.367 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367840148 457986128 /nfs/dbraw/zinc/98/61/28/457986128.db2.gz PFJIKOMOMULGRT-ZBYYUNFXSA-N 1 0 336.479 3.383 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1O ZINC000375960272 458140687 /nfs/dbraw/zinc/14/06/87/458140687.db2.gz JETVMMKCDIYOSA-AWEZNQCLSA-N 1 0 337.847 3.497 20 10 EGCDRO Cc1cccc(CC2(O)CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000369713566 458324986 /nfs/dbraw/zinc/32/49/86/458324986.db2.gz CPZPOOQBRPXKHP-UHFFFAOYSA-N 1 0 329.415 3.409 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1cc2c(cc1O)CCCC2 ZINC000527999402 459791274 /nfs/dbraw/zinc/79/12/74/459791274.db2.gz KYRRIUASGMGPQV-BFUOFWGJSA-N 1 0 336.435 3.485 20 10 EGCDRO COCCC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000528574750 459810180 /nfs/dbraw/zinc/81/01/80/459810180.db2.gz SXGZJJBWVPMEQD-UHFFFAOYSA-N 1 0 325.836 3.497 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCCOCC2CC2)ccc1N1CCCCC1 ZINC000726708759 574567595 /nfs/dbraw/zinc/56/75/95/574567595.db2.gz MIOMAYMZAFUQEO-UHFFFAOYSA-N 1 0 347.459 3.491 20 10 EGCDRO CCC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1ccccc1O ZINC000727830569 574692957 /nfs/dbraw/zinc/69/29/57/574692957.db2.gz CNKRTCBQZBNCET-UHFFFAOYSA-N 1 0 344.430 3.368 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC000728981459 574791151 /nfs/dbraw/zinc/79/11/51/574791151.db2.gz ANWDEGTWURLTKW-CYBMUJFWSA-N 1 0 346.427 3.327 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000734867484 575565301 /nfs/dbraw/zinc/56/53/01/575565301.db2.gz OIGPMKJFGHATDA-GOSISDBHSA-N 1 0 348.535 3.227 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741257813 576669306 /nfs/dbraw/zinc/66/93/06/576669306.db2.gz ZJPONUNUKLBDSF-DYESRHJHSA-N 1 0 340.467 3.080 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC(=O)Nc2cccc3cccnc32)cc1C ZINC000742368298 576774236 /nfs/dbraw/zinc/77/42/36/576774236.db2.gz BXGSWCYWLJNVKO-UHFFFAOYSA-N 1 0 335.407 3.286 20 10 EGCDRO C[C@H]1C[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742374695 576775601 /nfs/dbraw/zinc/77/56/01/576775601.db2.gz CXOWXDPJFUUKQF-DOTOQJQBSA-N 1 0 346.475 3.157 20 10 EGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000743498750 576810524 /nfs/dbraw/zinc/81/05/24/576810524.db2.gz FGULZCNYDVRVOV-ZWNOBZJWSA-N 1 0 346.265 3.050 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000769404733 1303108623 /nfs/dbraw/zinc/10/86/23/1303108623.db2.gz ORMBUXAMOMQBEB-IBGZPJMESA-N 1 0 343.515 3.367 20 10 EGCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000056786105 1291835414 /nfs/dbraw/zinc/83/54/14/1291835414.db2.gz QLTOCJLOYXWDRD-DLBZAZTESA-N 1 0 346.519 3.014 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1O ZINC000827734489 1292362092 /nfs/dbraw/zinc/36/20/92/1292362092.db2.gz YOXVXCWJJMFGGE-LRDDRELGSA-N 1 0 335.831 3.308 20 10 EGCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000828982559 1292525017 /nfs/dbraw/zinc/52/50/17/1292525017.db2.gz HFCCHLJVQFACOE-QFBILLFUSA-N 1 0 331.504 3.159 20 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/nfs/dbraw/zinc/09/26/84/1293092684.db2.gz DXGMGYGACNLTBX-HNNXBMFYSA-N 1 0 345.874 3.429 20 10 EGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)C1 ZINC000834522995 1293109889 /nfs/dbraw/zinc/10/98/89/1293109889.db2.gz MXMJSTUUAFNOIP-UYAOXDASSA-N 1 0 341.499 3.057 20 10 EGCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000111881214 1293112787 /nfs/dbraw/zinc/11/27/87/1293112787.db2.gz LQJYGTPLPNWZPT-MRXNPFEDSA-N 1 0 347.503 3.434 20 10 EGCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000834672778 1293131382 /nfs/dbraw/zinc/13/13/82/1293131382.db2.gz JITFFSKUEIMGEQ-MANSERQUSA-N 1 0 348.446 3.126 20 10 EGCDRO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834870420 1293159666 /nfs/dbraw/zinc/15/96/66/1293159666.db2.gz HNMDJPQLEWVHSJ-HUUCEWRRSA-N 1 0 340.895 3.236 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(N2CCOCC2)cc1Cl ZINC000834878416 1293161701 /nfs/dbraw/zinc/16/17/01/1293161701.db2.gz COVCXBZPGTUTSQ-UONOGXRCSA-N 1 0 340.895 3.377 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)c2c1c(F)ccc2O ZINC000834883409 1293163840 /nfs/dbraw/zinc/16/38/40/1293163840.db2.gz KZNSOUGKRKEQEL-NHYWBVRUSA-N 1 0 349.427 3.273 20 10 EGCDRO CC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(C(F)(F)F)cc1O ZINC000834907890 1293172486 /nfs/dbraw/zinc/17/24/86/1293172486.db2.gz FOUHVUBFKXISKQ-WFASDCNBSA-N 1 0 330.350 3.120 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC000834913506 1293175162 /nfs/dbraw/zinc/17/51/62/1293175162.db2.gz PXWYOXRKLQTTQI-WDYCEAGBSA-N 1 0 342.487 3.447 20 10 EGCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000835068492 1293198583 /nfs/dbraw/zinc/19/85/83/1293198583.db2.gz HPWAGXBADFPFQH-UHFFFAOYSA-N 1 0 331.799 3.391 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000122801278 1293425335 /nfs/dbraw/zinc/42/53/35/1293425335.db2.gz JGGMAWZVKDOURF-HNNXBMFYSA-N 1 0 346.496 3.315 20 10 EGCDRO Cc1ccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)nc1 ZINC000122990234 1293430684 /nfs/dbraw/zinc/43/06/84/1293430684.db2.gz AUOPGHLURUFHLK-ZSOIEALJSA-N 1 0 349.525 3.179 20 10 EGCDRO CCO[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000124496372 1293476901 /nfs/dbraw/zinc/47/69/01/1293476901.db2.gz BQKMFNWEEIWGJP-AWEZNQCLSA-N 1 0 328.250 3.464 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3ccccc3)CC2)c1O ZINC000125180251 1293498879 /nfs/dbraw/zinc/49/88/79/1293498879.db2.gz MGBIEEUEJHDZLR-UHFFFAOYSA-N 1 0 326.440 3.027 20 10 EGCDRO CC[N@H+](Cc1cnoc1C)Cc1cc(Br)ccc1O ZINC000128756703 1293603500 /nfs/dbraw/zinc/60/35/00/1293603500.db2.gz HMBADXAEUVDSRO-UHFFFAOYSA-N 1 0 325.206 3.473 20 10 EGCDRO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000129213311 1293616989 /nfs/dbraw/zinc/61/69/89/1293616989.db2.gz OULGJJJLIZJMPD-MRXNPFEDSA-N 1 0 325.456 3.110 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132769971 1293728058 /nfs/dbraw/zinc/72/80/58/1293728058.db2.gz AWLRIPLQVLSDQA-MRXNPFEDSA-N 1 0 333.476 3.160 20 10 EGCDRO CCc1nncn1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151510527 1293927905 /nfs/dbraw/zinc/92/79/05/1293927905.db2.gz DIXWSHBYLBXXOS-HNNXBMFYSA-N 1 0 345.466 3.321 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000154880434 1294074857 /nfs/dbraw/zinc/07/48/57/1294074857.db2.gz QMWIPPVISLMCLN-MRXNPFEDSA-N 1 0 333.476 3.242 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156545668 1294148098 /nfs/dbraw/zinc/14/80/98/1294148098.db2.gz CKELOMASVJFQGF-UHFFFAOYSA-N 1 0 325.456 3.053 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccccc1O ZINC000156550662 1294148527 /nfs/dbraw/zinc/14/85/27/1294148527.db2.gz ANPJONUGBYVFON-HNNXBMFYSA-N 1 0 334.366 3.141 20 10 EGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000158026145 1294194508 /nfs/dbraw/zinc/19/45/08/1294194508.db2.gz OLTXCYHQLARZEB-OAHLLOKOSA-N 1 0 341.293 3.379 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(O)cc1C ZINC000160364215 1294267102 /nfs/dbraw/zinc/26/71/02/1294267102.db2.gz VTZWRSCORKNVSU-HSZRJFAPSA-N 1 0 333.453 3.079 20 10 EGCDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000161639829 1294296498 /nfs/dbraw/zinc/29/64/98/1294296498.db2.gz ZOHWOPKUPYQVIU-MRXNPFEDSA-N 1 0 343.446 3.259 20 10 EGCDRO Cc1ncccc1/C=C1\SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000170903703 1294385900 /nfs/dbraw/zinc/38/59/00/1294385900.db2.gz GIGRYPIQYSQRPS-ZROIWOOFSA-N 1 0 349.525 3.179 20 10 EGCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H](C)CO1 ZINC000172950636 1294451293 /nfs/dbraw/zinc/45/12/93/1294451293.db2.gz CYZIDIAIPONQEX-JLTOFOAXSA-N 1 0 341.407 3.391 20 10 EGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173467792 1294462875 /nfs/dbraw/zinc/46/28/75/1294462875.db2.gz IZHROLRTDMMELC-MRXNPFEDSA-N 1 0 328.456 3.470 20 10 EGCDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000175986482 1294583390 /nfs/dbraw/zinc/58/33/90/1294583390.db2.gz HSABASFBHROZDC-UHFFFAOYSA-N 1 0 330.340 3.054 20 10 EGCDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000177958795 1294705397 /nfs/dbraw/zinc/70/53/97/1294705397.db2.gz HFWWRAMNHBGJPS-UONOGXRCSA-N 1 0 346.450 3.116 20 10 EGCDRO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@@H]1COc2ccccc2O1 ZINC000179571493 1294803160 /nfs/dbraw/zinc/80/31/60/1294803160.db2.gz UFLOFDOLKONEBN-MRXNPFEDSA-N 1 0 329.396 3.063 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)CC2CCCCC2)c1 ZINC000182347573 1295039317 /nfs/dbraw/zinc/03/93/17/1295039317.db2.gz BXYSMHBYZMCIJU-CQSZACIVSA-N 1 0 334.460 3.090 20 10 EGCDRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000183529270 1295129175 /nfs/dbraw/zinc/12/91/75/1295129175.db2.gz HVMZFINLKUAYAJ-ROUUACIJSA-N 1 0 339.483 3.254 20 10 EGCDRO C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1O ZINC000186401290 1295324108 /nfs/dbraw/zinc/32/41/08/1295324108.db2.gz TWBSIYTYRKDPOZ-CQSZACIVSA-N 1 0 329.419 3.456 20 10 EGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000186454286 1295328514 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Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)c(C)n1-c1ccccn1 ZINC000192845894 1295807104 /nfs/dbraw/zinc/80/71/04/1295807104.db2.gz LEGARXOFZUYZGR-UHFFFAOYSA-N 1 0 340.471 3.092 20 10 EGCDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000195273352 1296052431 /nfs/dbraw/zinc/05/24/31/1296052431.db2.gz VWPIRFNLYAVVQM-GASCZTMLSA-N 1 0 343.858 3.039 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c(C)n1-c1ccccc1C ZINC000237617825 1296252595 /nfs/dbraw/zinc/25/25/95/1296252595.db2.gz ISOZTGZIJBPPIT-WMLDXEAASA-N 1 0 325.456 3.354 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000262829057 1296649743 /nfs/dbraw/zinc/64/97/43/1296649743.db2.gz HQPGLBDBFCNYNY-PBHICJAKSA-N 1 0 325.456 3.273 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000872134280 1296759188 /nfs/dbraw/zinc/75/91/88/1296759188.db2.gz BMEJQTSMPGPUGD-CBLJQSSYSA-N 1 0 343.423 3.108 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000872134281 1296759624 /nfs/dbraw/zinc/75/96/24/1296759624.db2.gz BMEJQTSMPGPUGD-SLSDUTBNSA-N 1 0 343.423 3.108 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000311749055 1297111523 /nfs/dbraw/zinc/11/15/23/1297111523.db2.gz ILEOIMFRMHRVHV-HKUYNNGSSA-N 1 0 340.467 3.252 20 10 EGCDRO COc1cccc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)c1 ZINC000322419077 1297191328 /nfs/dbraw/zinc/19/13/28/1297191328.db2.gz YPZZGQRKYPCGEP-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO COc1ccccc1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873006986 1297220236 /nfs/dbraw/zinc/22/02/36/1297220236.db2.gz UIOZMJOMEHJCKW-UHFFFAOYSA-N 1 0 337.423 3.238 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000325370810 1297224490 /nfs/dbraw/zinc/22/44/90/1297224490.db2.gz SIRKBNVKMBPKLX-WMZOPIPTSA-N 1 0 331.504 3.127 20 10 EGCDRO CCOC1CC(CC[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873112865 1297276732 /nfs/dbraw/zinc/27/67/32/1297276732.db2.gz IQSGLHQFMCOPPL-UHFFFAOYSA-N 1 0 343.471 3.235 20 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/nfs/dbraw/zinc/22/25/12/1298222512.db2.gz MNZOHKVSJPXJIT-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1ccccc1O)c1ccco1 ZINC000875171584 1298252681 /nfs/dbraw/zinc/25/26/81/1298252681.db2.gz ROKOKNDAFAUZHX-GDBMZVCRSA-N 1 0 345.443 3.429 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000713534773 1298271513 /nfs/dbraw/zinc/27/15/13/1298271513.db2.gz BFVAIXSYXQFUHB-NWANDNLSSA-N 1 0 338.245 3.202 20 10 EGCDRO O=C(C[NH2+]Cc1cc(Cl)ccc1O)Nc1ccc(F)c(F)c1 ZINC000725841431 1298371497 /nfs/dbraw/zinc/37/14/97/1298371497.db2.gz DJNQPLROTKAELL-UHFFFAOYSA-N 1 0 326.730 3.052 20 10 EGCDRO CC(C)COC[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725846660 1298373269 /nfs/dbraw/zinc/37/32/69/1298373269.db2.gz OGWXYXJBWUGWFO-LJQANCHMSA-N 1 0 329.440 3.182 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCc2nccs2)ccc1N1CCCCC1 ZINC000725850028 1298375835 /nfs/dbraw/zinc/37/58/35/1298375835.db2.gz DPFFINQXBNAXRY-UHFFFAOYSA-N 1 0 346.456 3.374 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000745853771 1298491306 /nfs/dbraw/zinc/49/13/06/1298491306.db2.gz BQGMURRLOFGYLZ-FUHWJXTLSA-N 1 0 346.519 3.157 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745854651 1298492003 /nfs/dbraw/zinc/49/20/03/1298492003.db2.gz MXJAUNAZWSVIQZ-WMZOPIPTSA-N 1 0 346.519 3.155 20 10 EGCDRO CC[NH+](CC)CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000746823889 1298666726 /nfs/dbraw/zinc/66/67/26/1298666726.db2.gz UXEDJQQRDCSCSV-UHFFFAOYSA-N 1 0 327.472 3.095 20 10 EGCDRO CO[C@@H](C)c1noc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000747529080 1298795195 /nfs/dbraw/zinc/79/51/95/1298795195.db2.gz GOHROTIWVPVGBI-ZDUSSCGKSA-N 1 0 331.416 3.427 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000876567943 1298834531 /nfs/dbraw/zinc/83/45/31/1298834531.db2.gz ULJLOZGTXIBMGR-UHFFFAOYSA-N 1 0 342.414 3.234 20 10 EGCDRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000747865730 1298873774 /nfs/dbraw/zinc/87/37/74/1298873774.db2.gz MPNIDZFOLICXAI-ZDUSSCGKSA-N 1 0 340.423 3.439 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000876736217 1298947281 /nfs/dbraw/zinc/94/72/81/1298947281.db2.gz UKYMWVKWALOHDW-HOCLYGCPSA-N 1 0 334.460 3.436 20 10 EGCDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876797083 1298992497 /nfs/dbraw/zinc/99/24/97/1298992497.db2.gz MFQATSHAWMRJMI-PZJWPPBQSA-N 1 0 346.515 3.283 20 10 EGCDRO CCC(CC)[C@@H](CNC(=O)NCc1ccccc1O)[NH+]1CCCC1 ZINC000748459294 1299013734 /nfs/dbraw/zinc/01/37/34/1299013734.db2.gz FITZJKLXALUCGX-QGZVFWFLSA-N 1 0 333.476 3.092 20 10 EGCDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000876900236 1299058605 /nfs/dbraw/zinc/05/86/05/1299058605.db2.gz WLTJBQYQFOBPDQ-FQEVSTJZSA-N 1 0 340.467 3.172 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)CC(C)C ZINC000876966451 1299091375 /nfs/dbraw/zinc/09/13/75/1299091375.db2.gz WFQYYSQUBCNLTL-HXUWFJFHSA-N 1 0 334.504 3.046 20 10 EGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)OC ZINC000876966581 1299092251 /nfs/dbraw/zinc/09/22/51/1299092251.db2.gz WRYWXSFZLNOXBT-UZLBHIALSA-N 1 0 334.504 3.046 20 10 EGCDRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(C)cc3O)CC2)oc1C ZINC000877009396 1299113171 /nfs/dbraw/zinc/11/31/71/1299113171.db2.gz ZKXXZJIYBSRTMD-UHFFFAOYSA-N 1 0 343.471 3.307 20 10 EGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCOC1 ZINC000877024870 1299118043 /nfs/dbraw/zinc/11/80/43/1299118043.db2.gz QSMVJGNJSWBYML-AZUAARDMSA-N 1 0 332.488 3.064 20 10 EGCDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877141741 1299178909 /nfs/dbraw/zinc/17/89/09/1299178909.db2.gz KJNROGCAISQGDO-RXVVDRJESA-N 1 0 346.515 3.331 20 10 EGCDRO Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877167599 1299189958 /nfs/dbraw/zinc/18/99/58/1299189958.db2.gz CYDQYNALYIMCFY-CABCVRRESA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1ccc(CNc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c(O)c1 ZINC000877308080 1299242804 /nfs/dbraw/zinc/24/28/04/1299242804.db2.gz OTVHGXFICKDOSO-UHFFFAOYSA-N 1 0 340.467 3.442 20 10 EGCDRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877459460 1299315573 /nfs/dbraw/zinc/31/55/73/1299315573.db2.gz GUXQRFJHVPDZQR-UHFFFAOYSA-N 1 0 330.394 3.468 20 10 EGCDRO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)c(O)c1 ZINC000877501377 1299350967 /nfs/dbraw/zinc/35/09/67/1299350967.db2.gz NXZIVZFHXZNLGH-INIZCTEOSA-N 1 0 326.440 3.352 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nc(Cl)cs3)C2)cc1 ZINC000877598381 1299423063 /nfs/dbraw/zinc/42/30/63/1299423063.db2.gz MQEDUXHMFOLZBG-GFCCVEGCSA-N 1 0 337.876 3.421 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCOC1 ZINC000877658344 1299459216 /nfs/dbraw/zinc/45/92/16/1299459216.db2.gz XOZZXOYOXJQECI-XLIONFOSSA-N 1 0 328.456 3.235 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c1O ZINC000877804841 1299566080 /nfs/dbraw/zinc/56/60/80/1299566080.db2.gz FGCOKBAQELJWQG-UHFFFAOYSA-N 1 0 349.740 3.059 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCO[C@@H]1C ZINC000878154604 1299783244 /nfs/dbraw/zinc/78/32/44/1299783244.db2.gz ZPCYCCLWFLEVRJ-NEPJUHHUSA-N 1 0 328.250 3.402 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)c1O ZINC000753375087 1299923794 /nfs/dbraw/zinc/92/37/94/1299923794.db2.gz ZNRREQIAOVNMAZ-STQMWFEESA-N 1 0 344.249 3.066 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCCO1 ZINC000753619380 1299993493 /nfs/dbraw/zinc/99/34/93/1299993493.db2.gz MGAJWRGQRYFPPP-NXEZDXNNSA-N 1 0 336.451 3.096 20 10 EGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC000754730004 1300202337 /nfs/dbraw/zinc/20/23/37/1300202337.db2.gz KAHXYFFLIJONRJ-ZDUSSCGKSA-N 1 0 349.471 3.472 20 10 EGCDRO COc1cc(CN2CC[NH+](CC3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000754727715 1300202948 /nfs/dbraw/zinc/20/29/48/1300202948.db2.gz OKCHLQUHVYWBFL-UHFFFAOYSA-N 1 0 332.488 3.226 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000756031941 1300428300 /nfs/dbraw/zinc/42/83/00/1300428300.db2.gz CTXNFPNMRVGYDW-NPMABZOXSA-N 1 0 333.453 3.379 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000756047240 1300431706 /nfs/dbraw/zinc/43/17/06/1300431706.db2.gz QQTHNZNIKLQUFG-ICSRJNTNSA-N 1 0 336.439 3.450 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000756047241 1300432239 /nfs/dbraw/zinc/43/22/39/1300432239.db2.gz QQTHNZNIKLQUFG-QUCCMNQESA-N 1 0 336.439 3.450 20 10 EGCDRO C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1O ZINC000879322971 1300483107 /nfs/dbraw/zinc/48/31/07/1300483107.db2.gz MGNBGAJZSLTJFY-CQSZACIVSA-N 1 0 327.428 3.379 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)c2c1c(F)ccc2O ZINC000756402658 1300484100 /nfs/dbraw/zinc/48/41/00/1300484100.db2.gz NOFMYBUXIGPQCK-IUODEOHRSA-N 1 0 329.419 3.445 20 10 EGCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000756477667 1300500716 /nfs/dbraw/zinc/50/07/16/1300500716.db2.gz CXZWMQUJUQMRBM-AWEZNQCLSA-N 1 0 339.439 3.345 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)c2c1c(F)ccc2O ZINC000756501702 1300508060 /nfs/dbraw/zinc/50/80/60/1300508060.db2.gz FZJRWWAMVBLAII-MFKMUULPSA-N 1 0 328.378 3.399 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)c2c1c(F)ccc2O ZINC000756587779 1300527290 /nfs/dbraw/zinc/52/72/90/1300527290.db2.gz CKYXNOISUVUKNU-LRDDRELGSA-N 1 0 338.386 3.450 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3cc(F)ccc3n2C)c1 ZINC000756733562 1300556836 /nfs/dbraw/zinc/55/68/36/1300556836.db2.gz QANQKNHIABWJDW-NSHDSACASA-N 1 0 329.375 3.277 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1O ZINC000879648273 1300648227 /nfs/dbraw/zinc/64/82/27/1300648227.db2.gz HXFOLJKFHOOYSG-OAHLLOKOSA-N 1 0 339.439 3.282 20 10 EGCDRO C[C@@H](c1ccccc1)[N@H+](CCN1CCOCC1)Cc1ccccc1O ZINC000757273786 1300662318 /nfs/dbraw/zinc/66/23/18/1300662318.db2.gz GBIDDOYKUHSKHN-SFHVURJKSA-N 1 0 340.467 3.288 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000757659125 1300706269 /nfs/dbraw/zinc/70/62/69/1300706269.db2.gz WSJRMIBAIGXYTP-CABCVRRESA-N 1 0 334.460 3.094 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)cc1 ZINC000879760396 1300724420 /nfs/dbraw/zinc/72/44/20/1300724420.db2.gz APDUFULBFIAMIH-UHFFFAOYSA-N 1 0 331.504 3.223 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)ccc1O ZINC000760040925 1301212754 /nfs/dbraw/zinc/21/27/54/1301212754.db2.gz MXCVNCWZHCJRGR-OYYNGEPBSA-N 1 0 333.378 3.487 20 10 EGCDRO CC[C@@](C)([NH3+])c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379138 1301547725 /nfs/dbraw/zinc/54/77/25/1301547725.db2.gz LALSFASYZSVJRR-LJQANCHMSA-N 1 0 327.476 3.209 20 10 EGCDRO C/C(=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000881850866 1301743181 /nfs/dbraw/zinc/74/31/81/1301743181.db2.gz JBHLCXSGWXYVDI-PEZBUJJGSA-N 1 0 329.488 3.047 20 10 EGCDRO Cc1csc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000764881509 1302157524 /nfs/dbraw/zinc/15/75/24/1302157524.db2.gz UBQIGXHLTPMDBP-CQSZACIVSA-N 1 0 349.475 3.321 20 10 EGCDRO Oc1c(F)cc(F)cc1CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000882911180 1302161739 /nfs/dbraw/zinc/16/17/39/1302161739.db2.gz MRECHVFKMLSAPK-UHFFFAOYSA-N 1 0 348.393 3.157 20 10 EGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)C1 ZINC000765246029 1302227712 /nfs/dbraw/zinc/22/77/12/1302227712.db2.gz RIDFQACDRNAQJV-RXVVDRJESA-N 1 0 349.478 3.165 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765286612 1302237288 /nfs/dbraw/zinc/23/72/88/1302237288.db2.gz FBBKKCMLIRUUAC-AZUAARDMSA-N 1 0 346.446 3.372 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000765433123 1302263478 /nfs/dbraw/zinc/26/34/78/1302263478.db2.gz WTDXCACSEJZBAC-SFHVURJKSA-N 1 0 338.451 3.257 20 10 EGCDRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000765708009 1302310895 /nfs/dbraw/zinc/31/08/95/1302310895.db2.gz SKPQCOKTXSIODA-WMLDXEAASA-N 1 0 326.440 3.416 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765790205 1302328089 /nfs/dbraw/zinc/32/80/89/1302328089.db2.gz UKTKEWOPDXZFDQ-DLBZAZTESA-N 1 0 349.494 3.187 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765972596 1302358637 /nfs/dbraw/zinc/35/86/37/1302358637.db2.gz BHKMASPBELXFHU-OXQOHEQNSA-N 1 0 331.504 3.047 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000766537374 1302471750 /nfs/dbraw/zinc/47/17/50/1302471750.db2.gz UUJGIKQLGPPWGB-MORSLUCNSA-N 1 0 336.451 3.126 20 10 EGCDRO C[C@H]([NH2+]CCNc1cnccn1)c1ccc(N2CCCCC2)cc1 ZINC000766594015 1302484670 /nfs/dbraw/zinc/48/46/70/1302484670.db2.gz ZYVFHPWFMYRKAE-INIZCTEOSA-N 1 0 325.460 3.230 20 10 EGCDRO C[NH2+][C@@H](CC(C)C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000884006692 1302692896 /nfs/dbraw/zinc/69/28/96/1302692896.db2.gz YLXPBHQZSUPJTR-IBGZPJMESA-N 1 0 331.504 3.269 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCCc2ccccc2)cc1 ZINC000884010904 1302694381 /nfs/dbraw/zinc/69/43/81/1302694381.db2.gz OKHBUVGFLQESNR-HXUWFJFHSA-N 1 0 339.483 3.282 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000768241525 1302863684 /nfs/dbraw/zinc/86/36/84/1302863684.db2.gz RIHQSAXSWFFKBZ-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000768247333 1302864633 /nfs/dbraw/zinc/86/46/33/1302864633.db2.gz UDWFLUVFIRYPJR-UHFFFAOYSA-N 1 0 340.851 3.488 20 10 EGCDRO CCOc1ccc(O)c(CN(C)CC(=O)N(C)C2CCCCC2)c1 ZINC000768301964 1302876709 /nfs/dbraw/zinc/87/67/09/1302876709.db2.gz FPORTWUBRZXGRX-UHFFFAOYSA-N 1 0 334.460 3.014 20 10 EGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCCc2ccccc21 ZINC000768441930 1302903868 /nfs/dbraw/zinc/90/38/68/1302903868.db2.gz RBRFDCQMDDZRFJ-HKUYNNGSSA-N 1 0 325.408 3.327 20 10 EGCDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768441498 1302904031 /nfs/dbraw/zinc/90/40/31/1302904031.db2.gz MGYAPCGXTWNRTH-PKOBYXMFSA-N 1 0 325.408 3.464 20 10 EGCDRO CC[C@H](c1ccncc1)[N@H+](CC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768446225 1302905805 /nfs/dbraw/zinc/90/58/05/1302905805.db2.gz LDUKLTYZYDYXQT-SJLPKXTDSA-N 1 0 328.412 3.186 20 10 EGCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)c1 ZINC000768444323 1302906904 /nfs/dbraw/zinc/90/69/04/1302906904.db2.gz XMOZKLBWMNRMLJ-IEBWSBKVSA-N 1 0 325.408 3.464 20 10 EGCDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445725 1302906971 /nfs/dbraw/zinc/90/69/71/1302906971.db2.gz IVCKTCQNFUZTAH-HKUYNNGSSA-N 1 0 325.408 3.327 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)[C@@H](O)CO2 ZINC000768447831 1302907182 /nfs/dbraw/zinc/90/71/82/1302907182.db2.gz PXRYTOVZXCQSHH-AEFFLSMTSA-N 1 0 347.361 3.433 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3F)CCC1)[C@@H](O)CO2 ZINC000768464879 1302912158 /nfs/dbraw/zinc/91/21/58/1302912158.db2.gz FSXRBRYJDYZGLZ-KRWDZBQOSA-N 1 0 347.361 3.265 20 10 EGCDRO C[C@H]([NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1)c1ccccc1O ZINC000769133885 1303053895 /nfs/dbraw/zinc/05/38/95/1303053895.db2.gz MSZOMXXOXISAFZ-PXNSSMCTSA-N 1 0 339.483 3.032 20 10 EGCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769209261 1303070601 /nfs/dbraw/zinc/07/06/01/1303070601.db2.gz GRYOLVPEPDHTJU-RDJZCZTQSA-N 1 0 349.494 3.409 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000769423773 1303110987 /nfs/dbraw/zinc/11/09/87/1303110987.db2.gz IINHTSFVVFRLPY-ZBFHGGJFSA-N 1 0 334.460 3.436 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769424150 1303111110 /nfs/dbraw/zinc/11/11/10/1303111110.db2.gz RZCGIENESWTOPU-YJBOKZPZSA-N 1 0 347.503 3.488 20 10 EGCDRO Fc1cc(C[NH+]2CCC(C(F)F)CC2)ccc1N1CCOCC1 ZINC000769447121 1303114091 /nfs/dbraw/zinc/11/40/91/1303114091.db2.gz SGPSBPGTHKILAK-UHFFFAOYSA-N 1 0 328.378 3.139 20 10 EGCDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769465193 1303118447 /nfs/dbraw/zinc/11/84/47/1303118447.db2.gz DIJYBJVMLGODJX-NEPJUHHUSA-N 1 0 327.266 3.069 20 10 EGCDRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C ZINC000769685996 1303158541 /nfs/dbraw/zinc/15/85/41/1303158541.db2.gz GDELXHRGMMZCOV-ZIAGYGMSSA-N 1 0 334.460 3.403 20 10 EGCDRO CN(C)c1ccc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000770412035 1303265068 /nfs/dbraw/zinc/26/50/68/1303265068.db2.gz RDVJAMLWRZJHOP-UHFFFAOYSA-N 1 0 339.483 3.321 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000886147583 1303374301 /nfs/dbraw/zinc/37/43/01/1303374301.db2.gz WNALRUIVQXYFNB-PKOBYXMFSA-N 1 0 346.515 3.310 20 10 EGCDRO Cc1sccc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325185 1303433871 /nfs/dbraw/zinc/43/38/71/1303433871.db2.gz YAEBUMWRATZOJN-UHFFFAOYSA-N 1 0 343.496 3.048 20 10 EGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886325792 1303434355 /nfs/dbraw/zinc/43/43/55/1303434355.db2.gz QVDIGCSTTXLZOR-CRAIPNDOSA-N 1 0 329.488 3.057 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000886749447 1303583669 /nfs/dbraw/zinc/58/36/69/1303583669.db2.gz SQKQLFYCTPLQNP-PMACEKPBSA-N 1 0 341.499 3.057 20 10 EGCDRO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773611051 1303713789 /nfs/dbraw/zinc/71/37/89/1303713789.db2.gz GSHGEIAWRDYFLA-INIZCTEOSA-N 1 0 346.519 3.377 20 10 EGCDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774479628 1303814700 /nfs/dbraw/zinc/81/47/00/1303814700.db2.gz RFVRHNQJJUFVBG-CABCVRRESA-N 1 0 341.455 3.439 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000774485214 1303816135 /nfs/dbraw/zinc/81/61/35/1303816135.db2.gz SKGLHNCJBPIEBN-OLZOCXBDSA-N 1 0 346.862 3.479 20 10 EGCDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000774829271 1303865206 /nfs/dbraw/zinc/86/52/06/1303865206.db2.gz GXQFWPWZPLKHLH-LPHOPBHVSA-N 1 0 347.459 3.490 20 10 EGCDRO C[C@@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000774974923 1303885139 /nfs/dbraw/zinc/88/51/39/1303885139.db2.gz MDCNYBGQLUDDKI-MRXNPFEDSA-N 1 0 346.519 3.235 20 10 EGCDRO C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775137372 1303915687 /nfs/dbraw/zinc/91/56/87/1303915687.db2.gz TZFUAAPMABPEFD-BONVTDFDSA-N 1 0 349.228 3.032 20 10 EGCDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000775183073 1303919915 /nfs/dbraw/zinc/91/99/15/1303919915.db2.gz GHGRIGCOSSUNMP-LJQANCHMSA-N 1 0 335.444 3.489 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)c2c[nH]c3ncccc23)c1 ZINC000775371158 1303948901 /nfs/dbraw/zinc/94/89/01/1303948901.db2.gz UYXQKYMXQKNLEY-RYUDHWBXSA-N 1 0 339.395 3.199 20 10 EGCDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775987844 1304076234 /nfs/dbraw/zinc/07/62/34/1304076234.db2.gz WMHSYIRZZXEIOO-JKSUJKDBSA-N 1 0 346.475 3.110 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC000776007851 1304078401 /nfs/dbraw/zinc/07/84/01/1304078401.db2.gz KHRHFJJWHHVURC-UHFFFAOYSA-N 1 0 331.334 3.134 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCOCC3(CCCC3)C2)c1O ZINC000776010091 1304078552 /nfs/dbraw/zinc/07/85/52/1304078552.db2.gz XSAMWKQZFYURCY-UHFFFAOYSA-N 1 0 325.836 3.447 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000776175766 1304107035 /nfs/dbraw/zinc/10/70/35/1304107035.db2.gz QLLAHAVENUBIJZ-RHSMWYFYSA-N 1 0 338.879 3.026 20 10 EGCDRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000776239160 1304119904 /nfs/dbraw/zinc/11/99/04/1304119904.db2.gz RHXOFYDYTPEZHK-VQIMIIECSA-N 1 0 344.503 3.083 20 10 EGCDRO C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776249432 1304121328 /nfs/dbraw/zinc/12/13/28/1304121328.db2.gz OQWNJLAUAMIAAZ-MRXNPFEDSA-N 1 0 346.519 3.329 20 10 EGCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@H]1C ZINC000776249511 1304121361 /nfs/dbraw/zinc/12/13/61/1304121361.db2.gz OWMWZEPDIMFGHQ-MDZRGWNJSA-N 1 0 346.519 3.328 20 10 EGCDRO Fc1cc(C[NH2+]Cc2ccc(Cl)cn2)ccc1N1CCOCC1 ZINC000776254308 1304122038 /nfs/dbraw/zinc/12/20/38/1304122038.db2.gz BDLNRDKFGLGCCX-UHFFFAOYSA-N 1 0 335.810 3.001 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H](C)C3)cc2F)CC1 ZINC000776324305 1304133715 /nfs/dbraw/zinc/13/37/15/1304133715.db2.gz XYQXJVAEUZBYTM-WBVHZDCISA-N 1 0 347.478 3.020 20 10 EGCDRO CCOc1cccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC000779596805 1304585128 /nfs/dbraw/zinc/58/51/28/1304585128.db2.gz MKZMAAODFIOMFN-UHFFFAOYSA-N 1 0 338.448 3.090 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCc3ccc(C(=O)OC)cc3C2)c(O)c1 ZINC000779598723 1304585303 /nfs/dbraw/zinc/58/53/03/1304585303.db2.gz MJBKOHLDXOCRNP-UHFFFAOYSA-N 1 0 341.407 3.136 20 10 EGCDRO COC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CCC1 ZINC000780745872 1304733342 /nfs/dbraw/zinc/73/33/42/1304733342.db2.gz KMMIECREDFMKIZ-AWEZNQCLSA-N 1 0 338.879 3.396 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(CF)cc2)[NH+](C)C)cc1 ZINC000891247316 1304998841 /nfs/dbraw/zinc/99/88/41/1304998841.db2.gz UBQVEVUAOZCYBC-IBGZPJMESA-N 1 0 343.446 3.255 20 10 EGCDRO COC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CCCC1 ZINC000783237254 1305069182 /nfs/dbraw/zinc/06/91/82/1305069182.db2.gz LJODWHRMYLFDQG-FQEVSTJZSA-N 1 0 332.488 3.459 20 10 EGCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000892120998 1305255842 /nfs/dbraw/zinc/25/58/42/1305255842.db2.gz QHRRDXDCXGECRD-KRWDZBQOSA-N 1 0 345.439 3.183 20 10 EGCDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000784640237 1305267950 /nfs/dbraw/zinc/26/79/50/1305267950.db2.gz NATXIVIDBIDPCF-KDOFPFPSSA-N 1 0 333.432 3.242 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(O)c1OC ZINC000892223224 1305284460 /nfs/dbraw/zinc/28/44/60/1305284460.db2.gz GUUAKLFNGQUUQM-CABCVRRESA-N 1 0 347.411 3.091 20 10 EGCDRO c1nc(C2CC2)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000785433054 1305350118 /nfs/dbraw/zinc/35/01/18/1305350118.db2.gz CEBKAPXDHDBLRB-UHFFFAOYSA-N 1 0 329.469 3.147 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CSCc3ccccc32)c(O)c1OC ZINC000892685213 1305508403 /nfs/dbraw/zinc/50/84/03/1305508403.db2.gz XYAPOJTVHDEKCR-OAHLLOKOSA-N 1 0 331.437 3.487 20 10 EGCDRO COc1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)c(O)c1OC ZINC000892722582 1305524091 /nfs/dbraw/zinc/52/40/91/1305524091.db2.gz ZROZBZKEWALZKC-UHFFFAOYSA-N 1 0 341.411 3.008 20 10 EGCDRO COc1cc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)ccc1C ZINC000893037094 1305673263 /nfs/dbraw/zinc/67/32/63/1305673263.db2.gz MTUNHWHWGXVYQJ-UHFFFAOYSA-N 1 0 331.412 3.059 20 10 EGCDRO COc1ccc(C[NH2+]CCc2ccc(F)c(F)c2F)c(O)c1OC ZINC000893520727 1305946658 /nfs/dbraw/zinc/94/66/58/1305946658.db2.gz SPNHSOLHLYOHEB-UHFFFAOYSA-N 1 0 341.329 3.159 20 10 EGCDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(N2CCCCC2)cc1 ZINC000789764483 1306212689 /nfs/dbraw/zinc/21/26/89/1306212689.db2.gz HINXAPKBUMPICY-UHFFFAOYSA-N 1 0 345.531 3.220 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC000789946271 1306235358 /nfs/dbraw/zinc/23/53/58/1306235358.db2.gz HBTAGUVNONSGFF-HNNXBMFYSA-N 1 0 346.402 3.050 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)ccc1OC ZINC000790485185 1306336034 /nfs/dbraw/zinc/33/60/34/1306336034.db2.gz LDOCMAVHSPNCLT-LJQANCHMSA-N 1 0 334.504 3.442 20 10 EGCDRO C[N@H+](CCC(=O)NCCCSc1nccs1)C1CCCCC1 ZINC000791128732 1308925201 /nfs/dbraw/zinc/92/52/01/1308925201.db2.gz HUCDBYAHSWTVBF-UHFFFAOYSA-N 1 0 341.546 3.396 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000894907580 1309123844 /nfs/dbraw/zinc/12/38/44/1309123844.db2.gz VBSHUDGDKHRQSW-DLBZAZTESA-N 1 0 328.412 3.114 20 10 EGCDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000894933798 1309129761 /nfs/dbraw/zinc/12/97/61/1309129761.db2.gz WUTUNWIIOCRVGH-RDJZCZTQSA-N 1 0 343.423 3.311 20 10 EGCDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000895155000 1309213867 /nfs/dbraw/zinc/21/38/67/1309213867.db2.gz BFRNHMQYIKRAEB-LBPRGKRZSA-N 1 0 349.814 3.276 20 10 EGCDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792886311 1309251591 /nfs/dbraw/zinc/25/15/91/1309251591.db2.gz ZTLGFGHNNIKBEY-UHFFFAOYSA-N 1 0 332.366 3.060 20 10 EGCDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792939485 1309265097 /nfs/dbraw/zinc/26/50/97/1309265097.db2.gz ZPSBJFRPTUYMMB-LBPRGKRZSA-N 1 0 338.377 3.282 20 10 EGCDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793060376 1309289449 /nfs/dbraw/zinc/28/94/49/1309289449.db2.gz AXHKFPHLFSUOFJ-OLZOCXBDSA-N 1 0 330.394 3.364 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H](O)c1ccccc1 ZINC000895947976 1309607661 /nfs/dbraw/zinc/60/76/61/1309607661.db2.gz PBVUOMLTYCMUDZ-NVXWUHKLSA-N 1 0 331.412 3.011 20 10 EGCDRO COc1ccc(C[N@@H+](Cc2ccccn2)CC(C)C)c(O)c1OC ZINC000896661806 1309963332 /nfs/dbraw/zinc/96/33/32/1309963332.db2.gz YARVCRIJVBPHDC-UHFFFAOYSA-N 1 0 330.428 3.463 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000797414150 1310187424 /nfs/dbraw/zinc/18/74/24/1310187424.db2.gz LNEAQZAUOCYBMK-FQEVSTJZSA-N 1 0 332.488 3.210 20 10 EGCDRO CC[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Br)ccc1O ZINC000817950783 1319475121 /nfs/dbraw/zinc/47/51/21/1319475121.db2.gz YULRBVLULMLHLI-GXTWGEPZSA-N 1 0 327.266 3.338 20 10 EGCDRO CN(C)c1ccc([C@H](CNc2nnc(C(F)F)s2)[NH+](C)C)cc1 ZINC000897522004 1310360656 /nfs/dbraw/zinc/36/06/56/1310360656.db2.gz KGDYSYUYGCLAQV-LBPRGKRZSA-N 1 0 341.431 3.257 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817982434 1319485370 /nfs/dbraw/zinc/48/53/70/1319485370.db2.gz SHESOGMEEDJUES-GWCFXTLKSA-N 1 0 333.259 3.118 20 10 EGCDRO COC(=O)CC1(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000799292823 1310519688 /nfs/dbraw/zinc/51/96/88/1310519688.db2.gz BBGBYVASLZSKNY-UHFFFAOYSA-N 1 0 330.472 3.452 20 10 EGCDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NCc1ccccc1O ZINC000799395345 1310540505 /nfs/dbraw/zinc/54/05/05/1310540505.db2.gz IBIGLVMEVSOQES-UHFFFAOYSA-N 1 0 345.487 3.238 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](CCCO)Cc2ccc(OC)cc2)c1 ZINC000898172461 1310612185 /nfs/dbraw/zinc/61/21/85/1310612185.db2.gz JTVOFPGQUCBNSM-UHFFFAOYSA-N 1 0 345.439 3.184 20 10 EGCDRO CC[NH+](CC)CCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000800197056 1310699873 /nfs/dbraw/zinc/69/98/73/1310699873.db2.gz BBFQOVFWYZYCQO-UHFFFAOYSA-N 1 0 347.484 3.205 20 10 EGCDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000800223035 1310707212 /nfs/dbraw/zinc/70/72/12/1310707212.db2.gz OGUXMTLDKWOPCF-OAGGEKHMSA-N 1 0 338.467 3.342 20 10 EGCDRO COCC1CCC([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898449371 1310740373 /nfs/dbraw/zinc/74/03/73/1310740373.db2.gz CUHPZYFLLSYQMS-NLPFYKDJSA-N 1 0 333.520 3.150 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H]2CC2(Cl)Cl)N(C)C)cc1 ZINC000898448419 1310740845 /nfs/dbraw/zinc/74/08/45/1310740845.db2.gz RURFCYYPDUOAPW-UKRRQHHQSA-N 1 0 330.303 3.139 20 10 EGCDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000898449716 1310741529 /nfs/dbraw/zinc/74/15/29/1310741529.db2.gz JMAOGFLGMLVERO-HOJAQTOUSA-N 1 0 333.520 3.149 20 10 EGCDRO C[C@@H](CC1CCOCC1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451391 1310741809 /nfs/dbraw/zinc/74/18/09/1310741809.db2.gz YWMWSYNLVKANOI-OXJNMPFZSA-N 1 0 333.520 3.150 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000800476728 1310766866 /nfs/dbraw/zinc/76/68/66/1310766866.db2.gz ORECKPAMPXMJDC-IBGZPJMESA-N 1 0 330.472 3.213 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000801507253 1310948613 /nfs/dbraw/zinc/94/86/13/1310948613.db2.gz CIWZJSAVLYWNFI-LJQANCHMSA-N 1 0 330.472 3.309 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000801507252 1310949257 /nfs/dbraw/zinc/94/92/57/1310949257.db2.gz CIWZJSAVLYWNFI-IBGZPJMESA-N 1 0 330.472 3.309 20 10 EGCDRO CCCC[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccccc1O ZINC000801595958 1310970903 /nfs/dbraw/zinc/97/09/03/1310970903.db2.gz WUOZDYLDJPFKLV-UHFFFAOYSA-N 1 0 328.412 3.339 20 10 EGCDRO COc1ccccc1C[N@H+](CCO)Cc1cc(Cl)c(C)cc1O ZINC000824593068 1320268858 /nfs/dbraw/zinc/26/88/58/1320268858.db2.gz KGDRJKFSVRPSOM-UHFFFAOYSA-N 1 0 335.831 3.357 20 10 EGCDRO CCOC(=O)N1CCC([NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825090478 1320309065 /nfs/dbraw/zinc/30/90/65/1320309065.db2.gz WGNQZEHAXDGWGJ-UHFFFAOYSA-N 1 0 326.824 3.065 20 10 EGCDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825731001 1320359083 /nfs/dbraw/zinc/35/90/83/1320359083.db2.gz BQIQIDVSAGLYJF-RISCZKNCSA-N 1 0 328.250 3.280 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1ccc2c(n1)CCC2)C[C@@H]1CCCO1 ZINC000838784237 1320816381 /nfs/dbraw/zinc/81/63/81/1320816381.db2.gz RESFINCTRCSCBT-IBGZPJMESA-N 1 0 338.451 3.457 20 10 EGCDRO CCC[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019348702 1317184681 /nfs/dbraw/zinc/18/46/81/1317184681.db2.gz IUNBBMGMCQUGDM-FGTMMUONSA-N 1 0 330.472 3.130 20 10 EGCDRO CC[N@H+](CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000805076330 1317314763 /nfs/dbraw/zinc/31/47/63/1317314763.db2.gz URGZDBHRYCVKIU-UHFFFAOYSA-N 1 0 348.274 3.229 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccc(NC(N)=O)cc1 ZINC000858135874 1328691232 /nfs/dbraw/zinc/69/12/32/1328691232.db2.gz FPZPXVXYVFYDQV-LLVKDONJSA-N 1 0 348.397 3.372 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)=C3CCC3)C2)cc1C ZINC001020136914 1317557619 /nfs/dbraw/zinc/55/76/19/1317557619.db2.gz TUIZKCQTZADMTD-IYARVYRRSA-N 1 0 328.456 3.241 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCn2nc(C(F)(F)F)cc2C)c1O ZINC000903163082 1317666270 /nfs/dbraw/zinc/66/62/70/1317666270.db2.gz YEGCGOQNDQXQIT-LLVKDONJSA-N 1 0 343.349 3.275 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000808707890 1317719604 /nfs/dbraw/zinc/71/96/04/1317719604.db2.gz BRDNKIZXNNUQGP-XCRHUMRWSA-N 1 0 349.858 3.489 20 10 EGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808715546 1317721078 /nfs/dbraw/zinc/72/10/78/1317721078.db2.gz VRTUTSCFFBDBGA-AAEUAGOBSA-N 1 0 326.824 3.235 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc3[C@@H]2O)c2c1c(F)ccc2O ZINC000808729447 1317724858 /nfs/dbraw/zinc/72/48/58/1317724858.db2.gz JZYFLROOLOEFTN-CWTJIZKASA-N 1 0 329.371 3.164 20 10 EGCDRO CSC1(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000809619043 1317847047 /nfs/dbraw/zinc/84/70/47/1317847047.db2.gz UKCJQXZOMSOVHS-OAHLLOKOSA-N 1 0 340.920 3.495 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000858278507 1328727274 /nfs/dbraw/zinc/72/72/74/1328727274.db2.gz AZLHCBWGZVDJJT-DNVCBOLYSA-N 1 0 333.476 3.010 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809698825 1317868466 /nfs/dbraw/zinc/86/84/66/1317868466.db2.gz HBEKOEGLNAWMHV-BHIYHBOVSA-N 1 0 339.435 3.405 20 10 EGCDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(F)ccc1O ZINC000809702739 1317869040 /nfs/dbraw/zinc/86/90/40/1317869040.db2.gz XFKMPWZZGCHZJN-UHFFFAOYSA-N 1 0 327.359 3.256 20 10 EGCDRO COC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)c1 ZINC000809730490 1317881795 /nfs/dbraw/zinc/88/17/95/1317881795.db2.gz PQWVTXRIDYWONN-UHFFFAOYSA-N 1 0 335.787 3.131 20 10 EGCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(N(C)C)c(F)c2)o1 ZINC000809735648 1317883280 /nfs/dbraw/zinc/88/32/80/1317883280.db2.gz NDGJJBXHXPEGDT-UHFFFAOYSA-N 1 0 333.451 3.357 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CCCO)Cc2ccccn2)cc1F ZINC000809746235 1317889173 /nfs/dbraw/zinc/88/91/73/1317889173.db2.gz OLTYIWFFFZYZSN-UHFFFAOYSA-N 1 0 345.462 3.452 20 10 EGCDRO COc1ccc(O)c(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000809768968 1317895157 /nfs/dbraw/zinc/89/51/57/1317895157.db2.gz ZUDAYNZESBCBBO-GOEBONIOSA-N 1 0 345.464 3.402 20 10 EGCDRO CC[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(C(F)(F)F)cc1O ZINC000810209445 1317975780 /nfs/dbraw/zinc/97/57/80/1317975780.db2.gz DJBGJCYNDUTESY-LBPRGKRZSA-N 1 0 340.349 3.190 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(C(F)(F)F)cc1O ZINC000810208303 1317975932 /nfs/dbraw/zinc/97/59/32/1317975932.db2.gz AQFRFLQFIWSMLB-CHWSQXEVSA-N 1 0 330.350 3.120 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(C(F)(F)F)cc1O ZINC000810213880 1317978080 /nfs/dbraw/zinc/97/80/80/1317978080.db2.gz YOXDVRNNDICUII-SMDDNHRTSA-N 1 0 344.377 3.463 20 10 EGCDRO CC[C@H]([NH2+]C[C@](C)(O)CCOC)c1ccc(C(F)(F)F)cc1O ZINC000810219272 1317978539 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COc1ccc(N2CCC([NH2+]C(C)(C)C3CCOCC3)CC2)cc1 ZINC000812845064 1318470852 /nfs/dbraw/zinc/47/08/52/1318470852.db2.gz SOLLNTYYYUXTCV-UHFFFAOYSA-N 1 0 332.488 3.459 20 10 EGCDRO COCC(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000813789970 1318632051 /nfs/dbraw/zinc/63/20/51/1318632051.db2.gz GKDQQTMMZYVONZ-UHFFFAOYSA-N 1 0 335.448 3.347 20 10 EGCDRO COCC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CCOCC1 ZINC000813875029 1318648545 /nfs/dbraw/zinc/64/85/45/1318648545.db2.gz JSTVYUZDGFGCEZ-CYBMUJFWSA-N 1 0 327.852 3.448 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000814224940 1318702979 /nfs/dbraw/zinc/70/29/79/1318702979.db2.gz CHQXAVOBDQWZEC-KXBFYZLASA-N 1 0 325.408 3.198 20 10 EGCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858542584 1328791362 /nfs/dbraw/zinc/79/13/62/1328791362.db2.gz MJDUYFOUMRZSPX-AWEZNQCLSA-N 1 0 334.485 3.007 20 10 EGCDRO Cc1sccc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000815116916 1318896945 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CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000918222388 1319935758 /nfs/dbraw/zinc/93/57/58/1319935758.db2.gz DPMVEPPRYSIZKO-QGZVFWFLSA-N 1 0 346.519 3.064 20 10 EGCDRO CCOC(=O)CN(Cc1ccc(OC)c(C)c1)Cc1ccccc1O ZINC000822512257 1320091456 /nfs/dbraw/zinc/09/14/56/1320091456.db2.gz YXGOGMJHIYHXOO-UHFFFAOYSA-N 1 0 343.423 3.275 20 10 EGCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@]1(C)CC1(Cl)Cl ZINC000823576152 1320187919 /nfs/dbraw/zinc/18/79/19/1320187919.db2.gz IMYMKBVNBMRGJO-HNNXBMFYSA-N 1 0 346.254 3.341 20 10 EGCDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000823670964 1320196868 /nfs/dbraw/zinc/19/68/68/1320196868.db2.gz GLTJTQSGGSRRCO-VWPFQQQWSA-N 1 0 338.492 3.280 20 10 EGCDRO COCC1CCC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000823757659 1320203559 /nfs/dbraw/zinc/20/35/59/1320203559.db2.gz NXXDPZYCDMHKBS-UHFFFAOYSA-N 1 0 332.488 3.459 20 10 EGCDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000824085970 1320227471 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CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000824948598 1320299429 /nfs/dbraw/zinc/29/94/29/1320299429.db2.gz RUWDDQDXPNVHCC-FUHWJXTLSA-N 1 0 328.412 3.196 20 10 EGCDRO CCC1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)COC1 ZINC000825072585 1320308088 /nfs/dbraw/zinc/30/80/88/1320308088.db2.gz JBMYUHIIHPKFDD-UHFFFAOYSA-N 1 0 333.432 3.101 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c1 ZINC000825117316 1320311907 /nfs/dbraw/zinc/31/19/07/1320311907.db2.gz ACVCERJEKSLHAT-NXHRZFHOSA-N 1 0 329.444 3.184 20 10 EGCDRO Cc1cc(O)c(CNc2ccc(N3CC[NH+](C)CC3)cn2)cc1Cl ZINC000825130958 1320313927 /nfs/dbraw/zinc/31/39/27/1320313927.db2.gz HPHLXUPQMMYFKD-UHFFFAOYSA-N 1 0 346.862 3.113 20 10 EGCDRO C[C@H](O)c1ccc(C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825138490 1320314279 /nfs/dbraw/zinc/31/42/79/1320314279.db2.gz NMEVHYIQQFXHFN-NSHDSACASA-N 1 0 336.229 3.498 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCCc2nnc3n2CCCCC3)cc1Cl ZINC000825206386 1320317920 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C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(Br)cc1O ZINC000825900762 1320369955 /nfs/dbraw/zinc/36/99/55/1320369955.db2.gz QKCSWCJKGLQYIH-DOMZBBRYSA-N 1 0 339.277 3.213 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cncc(Br)c2C)c1O ZINC000825916189 1320370627 /nfs/dbraw/zinc/37/06/27/1320370627.db2.gz KLVBHFKFEVAQCP-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000825943709 1320373641 /nfs/dbraw/zinc/37/36/41/1320373641.db2.gz ISGSBMNSXMMKLR-GFCCVEGCSA-N 1 0 334.213 3.421 20 10 EGCDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000826017845 1320378753 /nfs/dbraw/zinc/37/87/53/1320378753.db2.gz WPXPTFSYJAFDDL-OAHLLOKOSA-N 1 0 328.250 3.186 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1O ZINC000826867122 1320410401 /nfs/dbraw/zinc/41/04/01/1320410401.db2.gz HIYWPDCLTKQJRP-AWEZNQCLSA-N 1 0 341.293 3.426 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C1(CO)CC1 ZINC000826990221 1320418785 /nfs/dbraw/zinc/41/87/85/1320418785.db2.gz BZVYFPHAGHQQIA-HNNXBMFYSA-N 1 0 327.424 3.222 20 10 EGCDRO CC(C)(C)c1cc(C[NH+]2CCC(O)(CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000827147780 1320430187 /nfs/dbraw/zinc/43/01/87/1320430187.db2.gz WVJSTPWOVPQMFY-UHFFFAOYSA-N 1 0 349.515 3.306 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000827377334 1320449298 /nfs/dbraw/zinc/44/92/98/1320449298.db2.gz VXYGJXLKSVYJPD-FPOVZHCZSA-N 1 0 344.499 3.304 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1F ZINC000827633697 1320463696 /nfs/dbraw/zinc/46/36/96/1320463696.db2.gz BXXBCLARMBCAEA-KRWDZBQOSA-N 1 0 347.478 3.116 20 10 EGCDRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000838923326 1320835955 /nfs/dbraw/zinc/83/59/55/1320835955.db2.gz REGVFVHRCPKUAO-MRXNPFEDSA-N 1 0 338.451 3.136 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839146680 1320880649 /nfs/dbraw/zinc/88/06/49/1320880649.db2.gz QREZNEOADRCFNY-UHFFFAOYSA-N 1 0 348.393 3.100 20 10 EGCDRO Cc1ncc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 ZINC000839169143 1320883432 /nfs/dbraw/zinc/88/34/32/1320883432.db2.gz GBJZFQGPEUIOEX-UHFFFAOYSA-N 1 0 330.388 3.171 20 10 EGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000839666356 1320956467 /nfs/dbraw/zinc/95/64/67/1320956467.db2.gz LIXIFLRCKZJNBO-KRWDZBQOSA-N 1 0 339.819 3.023 20 10 EGCDRO C[N@@H+]1CCC[C@]2(CCN(Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087428 1321025556 /nfs/dbraw/zinc/02/55/56/1321025556.db2.gz SFSVWJBMAFTADP-FQEVSTJZSA-N 1 0 332.488 3.313 20 10 EGCDRO Cc1ccc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)nn1 ZINC000840891406 1321172142 /nfs/dbraw/zinc/17/21/42/1321172142.db2.gz SHMQSVSMZRUJMU-UHFFFAOYSA-N 1 0 348.397 3.145 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840957203 1321186527 /nfs/dbraw/zinc/18/65/27/1321186527.db2.gz JESUHIVQJPICFL-HZPDHXFCSA-N 1 0 333.815 3.362 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000840964877 1321189086 /nfs/dbraw/zinc/18/90/86/1321189086.db2.gz WTPXYSVOKHIGPG-GFCCVEGCSA-N 1 0 334.357 3.340 20 10 EGCDRO OCC1([C@@H]([NH2+]Cc2ccccc2O)c2ccccc2)CCOCC1 ZINC000840972699 1321191293 /nfs/dbraw/zinc/19/12/93/1321191293.db2.gz RNWMKJZUIMYBNK-IBGZPJMESA-N 1 0 327.424 3.012 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000840976701 1321192426 /nfs/dbraw/zinc/19/24/26/1321192426.db2.gz QBUYVZNSLLHYFF-CQSZACIVSA-N 1 0 336.430 3.243 20 10 EGCDRO CNC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000840976647 1321192481 /nfs/dbraw/zinc/19/24/81/1321192481.db2.gz PCBQBGQRIQVWRY-MRXNPFEDSA-N 1 0 339.483 3.141 20 10 EGCDRO CC[NH2+]Cc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000841044130 1321208370 /nfs/dbraw/zinc/20/83/70/1321208370.db2.gz WMRSDXHKOOFVRX-UHFFFAOYSA-N 1 0 325.456 3.245 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2coc(-c3ccccc3)n2)cc1 ZINC000841044835 1321208693 /nfs/dbraw/zinc/20/86/93/1321208693.db2.gz YWTQUDCFZSLDEJ-LJQANCHMSA-N 1 0 336.439 3.197 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H]2CCCc3cc(N)ccc32)cc1OC ZINC000841059084 1321211097 /nfs/dbraw/zinc/21/10/97/1321211097.db2.gz ZAXPILBOISKOKJ-INIZCTEOSA-N 1 0 328.412 3.159 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841068501 1321212967 /nfs/dbraw/zinc/21/29/67/1321212967.db2.gz DMIMOYDGBFVMKJ-MRXNPFEDSA-N 1 0 347.256 3.131 20 10 EGCDRO C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000841099574 1321218025 /nfs/dbraw/zinc/21/80/25/1321218025.db2.gz MGGDBOXJGAVCDI-DOTOQJQBSA-N 1 0 346.475 3.002 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc(N)cc1 ZINC000841297270 1321248680 /nfs/dbraw/zinc/24/86/80/1321248680.db2.gz DGXSRLRYQOGZRT-HZPDHXFCSA-N 1 0 338.455 3.396 20 10 EGCDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(N)cc1 ZINC000841302237 1321250491 /nfs/dbraw/zinc/25/04/91/1321250491.db2.gz QMVYWGBAWWPHRL-UHFFFAOYSA-N 1 0 326.444 3.432 20 10 EGCDRO [NH3+]Cc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000841324478 1321256393 /nfs/dbraw/zinc/25/63/93/1321256393.db2.gz DJJRGVNSFHWXPB-UHFFFAOYSA-N 1 0 325.412 3.051 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)NCc1ccccc1 ZINC000841746062 1321305865 /nfs/dbraw/zinc/30/58/65/1321305865.db2.gz BVLRYMABUVIUCW-QWHCGFSZSA-N 1 0 332.831 3.401 20 10 EGCDRO CN(c1ccc(CNC(=O)N2CCC([NH3+])CC2)cc1)C1CCCCC1 ZINC000841757462 1321307620 /nfs/dbraw/zinc/30/76/20/1321307620.db2.gz HMHKGKJJVJIVDI-UHFFFAOYSA-N 1 0 344.503 3.088 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000842686251 1321419007 /nfs/dbraw/zinc/41/90/07/1321419007.db2.gz LIQNRZMIFBJMNO-MGPQQGTHSA-N 1 0 326.387 3.024 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(N2CCNC2=O)cc1 ZINC000842899182 1321447691 /nfs/dbraw/zinc/44/76/91/1321447691.db2.gz BPJHNFRGUVNGKA-STQMWFEESA-N 1 0 343.402 3.473 20 10 EGCDRO [NH3+]C[C@H]1CCCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000843046736 1321461204 /nfs/dbraw/zinc/46/12/04/1321461204.db2.gz ADJUJZOXEPXRGG-GOSISDBHSA-N 1 0 326.440 3.284 20 10 EGCDRO Cc1ccc(-c2nn(C)cc2CN2CCCc3cc(C[NH3+])ccc32)o1 ZINC000843058021 1321463738 /nfs/dbraw/zinc/46/37/38/1321463738.db2.gz LHBZFYWOWJWMCR-UHFFFAOYSA-N 1 0 336.439 3.400 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000843113545 1321472664 /nfs/dbraw/zinc/47/26/64/1321472664.db2.gz WOJMHWJVIMPJOX-GFCCVEGCSA-N 1 0 327.266 3.024 20 10 EGCDRO CCOc1cccc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1O ZINC000843117348 1321473515 /nfs/dbraw/zinc/47/35/15/1321473515.db2.gz JVXRWLAGXUMEQZ-QGZVFWFLSA-N 1 0 330.403 3.077 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000844167261 1321575362 /nfs/dbraw/zinc/57/53/62/1321575362.db2.gz YSGJFBFJTFXJJA-NRFANRHFSA-N 1 0 339.483 3.365 20 10 EGCDRO CC(C)(CNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCCCC1 ZINC000844857239 1321651682 /nfs/dbraw/zinc/65/16/82/1321651682.db2.gz YXSZZXICANSERI-UHFFFAOYSA-N 1 0 339.867 3.109 20 10 EGCDRO C[NH+](C)CCCCCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844928253 1321659547 /nfs/dbraw/zinc/65/95/47/1321659547.db2.gz UHTSFNSTPROJLP-UHFFFAOYSA-N 1 0 341.883 3.357 20 10 EGCDRO CN(Cc1cc2cnccc2o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000845953744 1321758912 /nfs/dbraw/zinc/75/89/12/1321758912.db2.gz ICBIIOGMLPAYGJ-UHFFFAOYSA-N 1 0 325.412 3.405 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccccc2)c1 ZINC000845971897 1321759865 /nfs/dbraw/zinc/75/98/65/1321759865.db2.gz NPAKQBHCNGJVHF-ZIAGYGMSSA-N 1 0 328.412 3.469 20 10 EGCDRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000846058795 1321765230 /nfs/dbraw/zinc/76/52/30/1321765230.db2.gz UAXIRWADOGMYOJ-LBPRGKRZSA-N 1 0 349.814 3.276 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c1O ZINC000846137594 1321770212 /nfs/dbraw/zinc/77/02/12/1321770212.db2.gz SYFNYWFDAAXSQP-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c1O ZINC000846141221 1321770878 /nfs/dbraw/zinc/77/08/78/1321770878.db2.gz GCDGABIRRQOUNH-ZDUSSCGKSA-N 1 0 340.423 3.144 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)c1O ZINC000846144369 1321771352 /nfs/dbraw/zinc/77/13/52/1321771352.db2.gz LXRQFAGZBNOMEU-CYBMUJFWSA-N 1 0 338.411 3.141 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)c1O ZINC000846143247 1321771550 /nfs/dbraw/zinc/77/15/50/1321771550.db2.gz CWOSCSXWIPWUPV-HNNXBMFYSA-N 1 0 337.423 3.480 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000846158276 1321772434 /nfs/dbraw/zinc/77/24/34/1321772434.db2.gz WGEJDMQKDCBMLX-CHWSQXEVSA-N 1 0 338.448 3.212 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cc(=O)n3ccccc3n2)cc1 ZINC000846211589 1321776031 /nfs/dbraw/zinc/77/60/31/1321776031.db2.gz DXNLHZASSNOBCD-HNNXBMFYSA-N 1 0 336.439 3.001 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000846662172 1321799384 /nfs/dbraw/zinc/79/93/84/1321799384.db2.gz LSYXBLJMWUNBBO-SFHVURJKSA-N 1 0 329.488 3.025 20 10 EGCDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848565004 1321976736 /nfs/dbraw/zinc/97/67/36/1321976736.db2.gz KNXSKSXBJCKHJB-IRXDYDNUSA-N 1 0 325.456 3.200 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC2)cc1 ZINC000848568317 1321978207 /nfs/dbraw/zinc/97/82/07/1321978207.db2.gz FNTRXCAYSYVDEV-SFTDATJTSA-N 1 0 343.515 3.271 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccccc2CN2CCCC2=O)c1O ZINC000848892633 1322032885 /nfs/dbraw/zinc/03/28/85/1322032885.db2.gz CMPQRIJUEYVXSR-UHFFFAOYSA-N 1 0 338.451 3.367 20 10 EGCDRO COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)o1 ZINC000848894609 1322033769 /nfs/dbraw/zinc/03/37/69/1322033769.db2.gz LGXHGEHAXCHQBG-NTMALXAHSA-N 1 0 340.423 3.138 20 10 EGCDRO CCc1cccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1O ZINC000848896967 1322035686 /nfs/dbraw/zinc/03/56/86/1322035686.db2.gz LMHIUGZPJNPYES-UHFFFAOYSA-N 1 0 338.451 3.367 20 10 EGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(CC)c2O)CC1 ZINC000848903628 1322040078 /nfs/dbraw/zinc/04/00/78/1322040078.db2.gz BSMZBEPNNQTUEW-CQSZACIVSA-N 1 0 334.460 3.301 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000848904915 1322040728 /nfs/dbraw/zinc/04/07/28/1322040728.db2.gz CLUAFBIWOHGGLE-UYAOXDASSA-N 1 0 329.415 3.350 20 10 EGCDRO CCc1cccc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000848909208 1322042063 /nfs/dbraw/zinc/04/20/63/1322042063.db2.gz NHEIZVUHBYBXDV-UHFFFAOYSA-N 1 0 346.496 3.463 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1 ZINC000850400772 1322239735 /nfs/dbraw/zinc/23/97/35/1322239735.db2.gz NLZDPSXVQIRESP-HXUWFJFHSA-N 1 0 334.504 3.190 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c2c1c(F)ccc2O ZINC000850500517 1322257786 /nfs/dbraw/zinc/25/77/86/1322257786.db2.gz FCDNEHZWHYQKNM-JQPVCEIDSA-N 1 0 325.449 3.359 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000850558851 1322267534 /nfs/dbraw/zinc/26/75/34/1322267534.db2.gz USQYGZIPYFNZRJ-CVEARBPZSA-N 1 0 331.504 3.440 20 10 EGCDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000850557856 1322267813 /nfs/dbraw/zinc/26/78/13/1322267813.db2.gz YVUVFWQJUQQFQR-AAEUAGOBSA-N 1 0 327.266 3.290 20 10 EGCDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921490405 1322328607 /nfs/dbraw/zinc/32/86/07/1322328607.db2.gz ICHRKNSTALDDLF-UHFFFAOYSA-N 1 0 343.423 3.327 20 10 EGCDRO COCCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921525265 1322340764 /nfs/dbraw/zinc/34/07/64/1322340764.db2.gz XMAYAIKOMHBUAC-UHFFFAOYSA-N 1 0 327.424 3.327 20 10 EGCDRO COc1cc(N2CC[NH+](CCC3CCC3)CC2)cc(OC)c1OC ZINC000851936340 1323117233 /nfs/dbraw/zinc/11/72/33/1323117233.db2.gz LTPVHZHWMINQDJ-UHFFFAOYSA-N 1 0 334.460 3.025 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)cc1C ZINC001024176864 1323189489 /nfs/dbraw/zinc/18/94/89/1323189489.db2.gz GZMLNWQUQHABRP-ZWKOTPCHSA-N 1 0 342.483 3.132 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)CC(C)C)C[C@H]32)cc1C ZINC001026177356 1324644188 /nfs/dbraw/zinc/64/41/88/1324644188.db2.gz BVYFEJGTYWOZQL-IPMKNSEASA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C)C3CCC3)C2)cc1C ZINC001026912193 1325074439 /nfs/dbraw/zinc/07/44/39/1325074439.db2.gz NGNUMYGGSAOPNI-SJLPKXTDSA-N 1 0 344.499 3.378 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853555671 1325123350 /nfs/dbraw/zinc/12/33/50/1325123350.db2.gz MYYVCJFHDCJPAZ-QAPCUYQASA-N 1 0 344.499 3.353 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(C)CCC3)C2)cc1C ZINC001026997822 1325134298 /nfs/dbraw/zinc/13/42/98/1325134298.db2.gz VTMVAAJKCZCUNY-KRWDZBQOSA-N 1 0 330.472 3.132 20 10 EGCDRO CCOc1cncc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000856790919 1325525551 /nfs/dbraw/zinc/52/55/51/1325525551.db2.gz OHOFPBCUKMPDKU-INIZCTEOSA-N 1 0 341.455 3.105 20 10 EGCDRO CC[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccccc1O ZINC000926907483 1327769659 /nfs/dbraw/zinc/76/96/59/1327769659.db2.gz JTPPCRUTAMUHPF-INIZCTEOSA-N 1 0 333.453 3.079 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1O ZINC000926924517 1327779900 /nfs/dbraw/zinc/77/99/00/1327779900.db2.gz ZESNUISEOCAREU-NWDGAFQWSA-N 1 0 332.366 3.078 20 10 EGCDRO CN(C)c1cc(F)c(CN2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000862215458 1329466218 /nfs/dbraw/zinc/46/62/18/1329466218.db2.gz JWCYSIVKAOWFDU-UHFFFAOYSA-N 1 0 337.458 3.481 20 10 EGCDRO C[N@H+](CCc1nccs1)Cc1c(O)cccc1Br ZINC000862251232 1329471274 /nfs/dbraw/zinc/47/12/74/1329471274.db2.gz YGGCSVRZCVBSJK-UHFFFAOYSA-N 1 0 327.247 3.286 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1n1ccnc1 ZINC000862251491 1329471284 /nfs/dbraw/zinc/47/12/84/1329471284.db2.gz FWXJAIKEFDIXRU-ACJLOTCBSA-N 1 0 334.414 3.310 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1F ZINC000862393227 1329481888 /nfs/dbraw/zinc/48/18/88/1329481888.db2.gz NIORWNKWUIKBDL-HNAYVOBHSA-N 1 0 338.442 3.404 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1O ZINC000862483680 1329490115 /nfs/dbraw/zinc/49/01/15/1329490115.db2.gz WUCPGFCBSXDUDO-FQEVSTJZSA-N 1 0 327.424 3.275 20 10 EGCDRO CCOc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862540843 1329494361 /nfs/dbraw/zinc/49/43/61/1329494361.db2.gz KZFLRSAQEKMSFC-CYBMUJFWSA-N 1 0 338.448 3.136 20 10 EGCDRO Cc1cc(CNC(=O)C2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000863166071 1329531749 /nfs/dbraw/zinc/53/17/49/1329531749.db2.gz RQQZROXNXWBQGX-UHFFFAOYSA-N 1 0 325.456 3.052 20 10 EGCDRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1O ZINC000864425149 1329613796 /nfs/dbraw/zinc/61/37/96/1329613796.db2.gz UROCMBXKNGWHBT-TZMCWYRMSA-N 1 0 333.457 3.117 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2c(Br)cnn2C)c(O)c1C ZINC000866431278 1330111366 /nfs/dbraw/zinc/11/13/66/1330111366.db2.gz MTCCKFUCXPIIBK-NSHDSACASA-N 1 0 338.249 3.356 20 10 EGCDRO C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(Cl)cc1O ZINC000866436754 1330112242 /nfs/dbraw/zinc/11/22/42/1330112242.db2.gz RJMNYASYCPSNLK-UFBFGSQYSA-N 1 0 334.729 3.091 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H](O)C(F)(F)F ZINC000866464776 1330115888 /nfs/dbraw/zinc/11/58/88/1330115888.db2.gz YPHMAYTWBWRTMJ-MVKOHCKWSA-N 1 0 342.155 3.117 20 10 EGCDRO CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016380040 1338581756 /nfs/dbraw/zinc/58/17/56/1338581756.db2.gz CCSALWUWXILLHY-OAHLLOKOSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3c(C)coc3C)C2)cc1C ZINC001018799462 1339728583 /nfs/dbraw/zinc/72/85/83/1339728583.db2.gz XJPVBWYDMSWSKI-KRWDZBQOSA-N 1 0 342.439 3.218 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C2CC=CC2)cc1C ZINC001036971766 1343900818 /nfs/dbraw/zinc/90/08/18/1343900818.db2.gz GMMVKBVBCUHVSQ-RTBURBONSA-N 1 0 342.483 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2=CCCC2)cc1C ZINC001044991497 1346476826 /nfs/dbraw/zinc/47/68/26/1346476826.db2.gz LTZKIDSHLAWQGU-SFHVURJKSA-N 1 0 328.456 3.195 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C3CC=CC3)C2)cc1C ZINC001047770026 1347365765 /nfs/dbraw/zinc/36/57/65/1347365765.db2.gz PFBIHHAJIHPQKY-QFBILLFUSA-N 1 0 342.483 3.296 20 10 EGCDRO C/C=C(\C)C(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001047784773 1347370107 /nfs/dbraw/zinc/37/01/07/1347370107.db2.gz NEOUGZZEXMJCGB-DOAMCODZSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC(C)C)C[C@@H]2C)cc1C ZINC001048112996 1347470706 /nfs/dbraw/zinc/47/07/06/1347470706.db2.gz NJRLVMIXRYGOMO-FUHWJXTLSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC3CCC3)C[C@@H]2C)cc1C ZINC001048193405 1347489531 /nfs/dbraw/zinc/48/95/31/1347489531.db2.gz PVNGSKOUNWZYSH-LPHOPBHVSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC3(C)CC3)C[C@H]2C)cc1C ZINC001048322110 1347517951 /nfs/dbraw/zinc/51/79/51/1347517951.db2.gz OFLBJABTZHTLIK-SJLPKXTDSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)/C=C(\C)C3CC3)C[C@H]2C)cc1C ZINC001054449098 1349362968 /nfs/dbraw/zinc/36/29/68/1349362968.db2.gz OGZZNFHEHZBWGY-SGAVGEADSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(F)=C(C)C)C[C@H]2C)cc1C ZINC001054559526 1349398119 /nfs/dbraw/zinc/39/81/19/1349398119.db2.gz KEIDRCFMEJGWRG-GDBMZVCRSA-N 1 0 334.435 3.204 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3CC(C)(C)C3)C[C@H]2C)cc1C ZINC001054623143 1349419095 /nfs/dbraw/zinc/41/90/95/1349419095.db2.gz VAZCWKNNKHWXHC-QAPCUYQASA-N 1 0 344.499 3.376 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183378941 1387305035 /nfs/dbraw/zinc/30/50/35/1387305035.db2.gz BFWXRIUOPLGMPE-IYOUNJFTSA-N 1 0 330.472 3.089 20 10 EGCDRO Cc1cccc(F)c1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323188938 1387308619 /nfs/dbraw/zinc/30/86/19/1387308619.db2.gz BUSYXAIUULOILL-UHFFFAOYSA-N 1 0 345.437 3.315 20 10 EGCDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001323346321 1387345867 /nfs/dbraw/zinc/34/58/67/1387345867.db2.gz WIFPTQHWAIGDLC-QGZVFWFLSA-N 1 0 344.842 3.440 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@H](C)C3)C2)cc1C ZINC001086216455 1359030250 /nfs/dbraw/zinc/03/02/50/1359030250.db2.gz SNMWTORQCNDEDT-UDTPNQRGSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccco3)C2)cc1C ZINC001086631040 1359170362 /nfs/dbraw/zinc/17/03/62/1359170362.db2.gz DXESYCNPROKBKN-DLBZAZTESA-N 1 0 342.439 3.285 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3CC(C)C3)C2)cc1C ZINC001086670695 1359181534 /nfs/dbraw/zinc/18/15/34/1359181534.db2.gz RRXXZTNVNVOTEU-IKVNQEAASA-N 1 0 344.499 3.424 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC001323828955 1387468339 /nfs/dbraw/zinc/46/83/39/1387468339.db2.gz DOTZODBMNOHSHH-UKPHBRMFSA-N 1 0 345.414 3.418 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cocc3C)C2)cc1C ZINC001091186842 1361002051 /nfs/dbraw/zinc/00/20/51/1361002051.db2.gz RFIPZZCXKOCSAB-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001324459923 1387629276 /nfs/dbraw/zinc/62/92/76/1387629276.db2.gz YPPQYGWXAFGTKV-HKUYNNGSSA-N 1 0 340.471 3.030 20 10 EGCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)OC1CCCCC1 ZINC001193650337 1368083522 /nfs/dbraw/zinc/08/35/22/1368083522.db2.gz NXDUWBATFZFZGJ-UHFFFAOYSA-N 1 0 332.444 3.416 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC001325350999 1387947599 /nfs/dbraw/zinc/94/75/99/1387947599.db2.gz CRGDDSIMPBZSQG-ZJPYXAASSA-N 1 0 344.499 3.482 20 10 EGCDRO CNc1ccc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cn1 ZINC001203459187 1370133763 /nfs/dbraw/zinc/13/37/63/1370133763.db2.gz ZKPXSALPZVFPOD-UHFFFAOYSA-N 1 0 345.358 3.348 20 10 EGCDRO O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203551662 1370166875 /nfs/dbraw/zinc/16/68/75/1370166875.db2.gz JTPWOBADVAYNEO-GOSISDBHSA-N 1 0 328.437 3.083 20 10 EGCDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1O)C2 ZINC001203555464 1370167824 /nfs/dbraw/zinc/16/78/24/1370167824.db2.gz ACRSAVSTCJSEES-UHFFFAOYSA-N 1 0 332.444 3.225 20 10 EGCDRO Oc1ccccc1C[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001203562231 1370170600 /nfs/dbraw/zinc/17/06/00/1370170600.db2.gz FVNQDMRFRCBKLK-UHFFFAOYSA-N 1 0 346.434 3.171 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1O ZINC001203595460 1370181842 /nfs/dbraw/zinc/18/18/42/1370181842.db2.gz BGMTWDMMFCDAFU-MJGOQNOKSA-N 1 0 338.451 3.107 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c1O ZINC001203609422 1370186739 /nfs/dbraw/zinc/18/67/39/1370186739.db2.gz SHKKFJCFJAYORU-UHFFFAOYSA-N 1 0 345.414 3.414 20 10 EGCDRO CCOc1cccc(C[N@H+](Cc2cccnc2)C2CCOCC2)c1O ZINC001203609017 1370187007 /nfs/dbraw/zinc/18/70/07/1370187007.db2.gz GDVPKEWLWDMTJH-UHFFFAOYSA-N 1 0 342.439 3.367 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1O ZINC001203615340 1370188811 /nfs/dbraw/zinc/18/88/11/1370188811.db2.gz RERNSHLLYVJPQO-QGZVFWFLSA-N 1 0 325.408 3.496 20 10 EGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cccc(OCC)c2O)C[C@@H]1C ZINC001203617352 1370189760 /nfs/dbraw/zinc/18/97/60/1370189760.db2.gz ONHSVQDIZJQKCM-LSDHHAIUSA-N 1 0 335.444 3.202 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)c(O)c1 ZINC001203635135 1370194970 /nfs/dbraw/zinc/19/49/70/1370194970.db2.gz LCMKBTSSSGKPTC-KRWDZBQOSA-N 1 0 328.412 3.148 20 10 EGCDRO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203651426 1370201374 /nfs/dbraw/zinc/20/13/74/1370201374.db2.gz OHNQLURZASCQRK-SJCJKPOMSA-N 1 0 338.835 3.145 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1c1ccccc1 ZINC001203665830 1370208102 /nfs/dbraw/zinc/20/81/02/1370208102.db2.gz XDBJUQUEDIZAQI-DLBZAZTESA-N 1 0 345.826 3.434 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c1 ZINC001203678284 1370213804 /nfs/dbraw/zinc/21/38/04/1370213804.db2.gz JOJRBOXEVSBWRX-OWQGQXMQSA-N 1 0 347.455 3.343 20 10 EGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)cc1OC ZINC001203879109 1370297626 /nfs/dbraw/zinc/29/76/26/1370297626.db2.gz LSYYFKJAVSYXFF-OAHLLOKOSA-N 1 0 329.396 3.452 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)cc1 ZINC001203933515 1370320548 /nfs/dbraw/zinc/32/05/48/1370320548.db2.gz OENPHNLZWDGKNO-HXUWFJFHSA-N 1 0 349.478 3.206 20 10 EGCDRO CC(=O)N1CCCCC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203933276 1370320620 /nfs/dbraw/zinc/32/06/20/1370320620.db2.gz KEOHPWKWADPHGK-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO CCOc1cccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1 ZINC001203937619 1370322391 /nfs/dbraw/zinc/32/23/91/1370322391.db2.gz HKSWVZJZXQDDNQ-UHFFFAOYSA-N 1 0 339.483 3.474 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)cc1 ZINC001203943827 1370324461 /nfs/dbraw/zinc/32/44/61/1370324461.db2.gz HKAVFAKQHGMLKG-IBGZPJMESA-N 1 0 340.471 3.285 20 10 EGCDRO COc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(O)cc2O)cc1 ZINC001204274725 1370429032 /nfs/dbraw/zinc/42/90/32/1370429032.db2.gz HOUBRHZKJMROSP-QGZVFWFLSA-N 1 0 331.437 3.397 20 10 EGCDRO O=C(c1ccc(F)cc1F)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278525 1370430452 /nfs/dbraw/zinc/43/04/52/1370430452.db2.gz DZIJQPSSDGQSSU-UHFFFAOYSA-N 1 0 347.361 3.471 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)cc(O)c1O ZINC001204346798 1370449568 /nfs/dbraw/zinc/44/95/68/1370449568.db2.gz ZJMAFJSYDZFKJR-QGZVFWFLSA-N 1 0 343.423 3.288 20 10 EGCDRO C[C@@H]1CC[NH2+]CCN1Cc1ccc(OCc2ccccc2)cc1O ZINC001205332490 1370723593 /nfs/dbraw/zinc/72/35/93/1370723593.db2.gz QFYCVMCCWSFVRV-MRXNPFEDSA-N 1 0 326.440 3.155 20 10 EGCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)c3ccc(C)cc3)CC2)cc1 ZINC001116417663 1370907719 /nfs/dbraw/zinc/90/77/19/1370907719.db2.gz NYIVINZTTKZCLA-NRFANRHFSA-N 1 0 340.467 3.249 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2c([O-])cc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001206012742 1370937975 /nfs/dbraw/zinc/93/79/75/1370937975.db2.gz NKVWVATVXJOOBL-GHMZBOCLSA-N 1 0 345.256 3.101 20 10 EGCDRO FC(F)C(F)(F)COCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116796873 1370976550 /nfs/dbraw/zinc/97/65/50/1370976550.db2.gz GNMONABLJSDGGS-UHFFFAOYSA-N 1 0 334.357 3.293 20 10 EGCDRO C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1c(O)cccc1F ZINC001119438155 1371340793 /nfs/dbraw/zinc/34/07/93/1371340793.db2.gz JIUYLBJVNKOKQM-CQSZACIVSA-N 1 0 329.419 3.456 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(O)c1OC ZINC001119933434 1371426359 /nfs/dbraw/zinc/42/63/59/1371426359.db2.gz GNADYXBNJCVCOK-MRXNPFEDSA-N 1 0 327.424 3.474 20 10 EGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001207780558 1371502302 /nfs/dbraw/zinc/50/23/02/1371502302.db2.gz HNLVDRXFBJGTBO-OSYLJGHBSA-N 1 0 346.471 3.327 20 10 EGCDRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001208228273 1371666995 /nfs/dbraw/zinc/66/69/95/1371666995.db2.gz XLSKWEORJBQPKF-CQSZACIVSA-N 1 0 325.408 3.358 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC001209404297 1372095131 /nfs/dbraw/zinc/09/51/31/1372095131.db2.gz SHXCQOLZKBLBAF-BJWYYQGGSA-N 1 0 348.487 3.029 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC001209517585 1372126869 /nfs/dbraw/zinc/12/68/69/1372126869.db2.gz IDYFOXPAJGWKGF-OAQYLSRUSA-N 1 0 339.483 3.001 20 10 EGCDRO CC(C)=CC[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344951 1372536357 /nfs/dbraw/zinc/53/63/57/1372536357.db2.gz HGQLSVKXEJFOMC-INIZCTEOSA-N 1 0 343.431 3.009 20 10 EGCDRO CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211345563 1372536818 /nfs/dbraw/zinc/53/68/18/1372536818.db2.gz KHXLSULHMZYQMU-CZUORRHYSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(C(C)C)n2)cc1C ZINC001130887150 1373603514 /nfs/dbraw/zinc/60/35/14/1373603514.db2.gz SERKLKVRKLRPEW-UHFFFAOYSA-N 1 0 341.455 3.042 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2ccc(C)cc2)cc1C ZINC001131091129 1373641677 /nfs/dbraw/zinc/64/16/77/1373641677.db2.gz BSIPADVTLUNGBJ-UHFFFAOYSA-N 1 0 340.467 3.151 20 10 EGCDRO Cc1ccccc1/N=N/c1ccc(NC(=O)C[C@@H](O)C[NH3+])c(C)c1 ZINC001219204244 1373694325 /nfs/dbraw/zinc/69/43/25/1373694325.db2.gz WAHFQUQEAOAAQG-UCMDFWOYSA-N 1 0 326.400 3.367 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCC(F)(F)C3)cc2F)CC1 ZINC001326918775 1388350915 /nfs/dbraw/zinc/35/09/15/1388350915.db2.gz YFCZTGHXPVGECS-OAHLLOKOSA-N 1 0 341.421 3.103 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2cccc(Cl)c2)cc1C ZINC001133214938 1375846515 /nfs/dbraw/zinc/84/65/15/1375846515.db2.gz PJYOKCKYKGMSFA-UHFFFAOYSA-N 1 0 346.858 3.106 20 10 EGCDRO COc1cc(C[NH+]2CCC3(CC2)OCc2ccccc23)c(O)cc1O ZINC001231635283 1376287352 /nfs/dbraw/zinc/28/73/52/1376287352.db2.gz FGGWLWXCAHWQHM-UHFFFAOYSA-N 1 0 341.407 3.128 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)/C=C/C2CC2)cc1C ZINC001134009421 1376310122 /nfs/dbraw/zinc/31/01/22/1376310122.db2.gz VBQBUZZPHKNLNG-VQVOLHRSSA-N 1 0 330.472 3.343 20 10 EGCDRO Cc1cc(C)c(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(O)c1 ZINC001231846026 1376325595 /nfs/dbraw/zinc/32/55/95/1376325595.db2.gz YKBXQIXNELFPAU-UHFFFAOYSA-N 1 0 337.423 3.472 20 10 EGCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231866594 1376330138 /nfs/dbraw/zinc/33/01/38/1376330138.db2.gz GJKJESVTEZXPTP-ROUUACIJSA-N 1 0 339.863 3.372 20 10 EGCDRO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)cc1Cl ZINC001231870842 1376331346 /nfs/dbraw/zinc/33/13/46/1376331346.db2.gz BHYAHQMFDXVCJB-HOTGVXAUSA-N 1 0 326.843 3.362 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)cc1Cl ZINC001231868061 1376331429 /nfs/dbraw/zinc/33/14/29/1376331429.db2.gz PWEJZTLYBIAHAZ-DGCLKSJQSA-N 1 0 337.769 3.489 20 10 EGCDRO COc1cc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)ccn1 ZINC001231871554 1376334015 /nfs/dbraw/zinc/33/40/15/1376334015.db2.gz NSGFSJLZRNCLFS-HNNXBMFYSA-N 1 0 348.830 3.411 20 10 EGCDRO COc1cc(O)c(CN2CCN(c3cc[nH+]c(C)c3)CC2)cc1Cl ZINC001232271672 1376428081 /nfs/dbraw/zinc/42/80/81/1376428081.db2.gz ZVBYQPWGWBVJRS-UHFFFAOYSA-N 1 0 347.846 3.080 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C2CCC(F)(F)CC2)cc1C ZINC001134337184 1376483707 /nfs/dbraw/zinc/48/37/07/1376483707.db2.gz PGKHHGVKOLQXAO-UHFFFAOYSA-N 1 0 340.414 3.035 20 10 EGCDRO COC[C@@H]1Cn2ccnc2CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284659 1376604003 /nfs/dbraw/zinc/60/40/03/1376604003.db2.gz CSKNRGWJZQIZBP-HNNXBMFYSA-N 1 0 343.471 3.165 20 10 EGCDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233285444 1376604302 /nfs/dbraw/zinc/60/43/02/1376604302.db2.gz GRAITGKGPSIXDK-KRWDZBQOSA-N 1 0 344.499 3.380 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCN(c3cccnc3)CC2)c1O ZINC001233290803 1376606605 /nfs/dbraw/zinc/60/66/05/1376606605.db2.gz XCHDKICGZRDDHM-UHFFFAOYSA-N 1 0 347.846 3.162 20 10 EGCDRO Oc1c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cccc1OC(F)(F)F ZINC001233737075 1376706106 /nfs/dbraw/zinc/70/61/06/1376706106.db2.gz VKSPFJUTUKTYMZ-OAHLLOKOSA-N 1 0 331.334 3.293 20 10 EGCDRO CCN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CC[NH2+]C1 ZINC001235969844 1376924344 /nfs/dbraw/zinc/92/43/44/1376924344.db2.gz HAODDDFXPIRBHW-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO Oc1cc(Cl)c(F)cc1CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC001236129033 1376935258 /nfs/dbraw/zinc/93/52/58/1376935258.db2.gz NMFQIDJHJJEECL-MRXNPFEDSA-N 1 0 338.785 3.470 20 10 EGCDRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001237053292 1376972546 /nfs/dbraw/zinc/97/25/46/1376972546.db2.gz JHMZNRUJEMFYNC-JOCQHMNTSA-N 1 0 333.350 3.069 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(COC(=O)N3)CC2)c(C)n1-c1ccccc1 ZINC001137859442 1377632583 /nfs/dbraw/zinc/63/25/83/1377632583.db2.gz YTSJTDUSVJRECT-UHFFFAOYSA-N 1 0 339.439 3.169 20 10 EGCDRO CCCO[C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337472 1377705735 /nfs/dbraw/zinc/70/57/35/1377705735.db2.gz QUKBAXYIQOCXLO-QGZVFWFLSA-N 1 0 330.472 3.092 20 10 EGCDRO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCCN4C)C2)no1 ZINC001138354490 1377708353 /nfs/dbraw/zinc/70/83/53/1377708353.db2.gz LPSVRBFQCDPYJJ-KRWDZBQOSA-N 1 0 326.444 3.140 20 10 EGCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138357275 1377708679 /nfs/dbraw/zinc/70/86/79/1377708679.db2.gz PSPUIBXYYCHHHS-RTWAWAEBSA-N 1 0 344.499 3.087 20 10 EGCDRO CN1CCCc2cc(C[NH+]3CCC4(CC(F)(F)CO4)CC3)ccc21 ZINC001138354388 1377708705 /nfs/dbraw/zinc/70/87/05/1377708705.db2.gz HUCFSIKNVZPVPW-UHFFFAOYSA-N 1 0 336.426 3.459 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CC[C@]1(O)C(F)(F)F ZINC001138354603 1377708859 /nfs/dbraw/zinc/70/88/59/1377708859.db2.gz PASYDHOVBLREKH-SUMWQHHRSA-N 1 0 342.405 3.204 20 10 EGCDRO Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)nc1 ZINC001138358617 1377709222 /nfs/dbraw/zinc/70/92/22/1377709222.db2.gz WERRJYWKDXOQMW-UHFFFAOYSA-N 1 0 336.483 3.095 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[C@](O)(C(F)(F)F)C2)c(OC)c1 ZINC001138386561 1377714142 /nfs/dbraw/zinc/71/41/42/1377714142.db2.gz RIWQNLUPOIHAIA-MRXNPFEDSA-N 1 0 346.393 3.041 20 10 EGCDRO CC[NH+](CC)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138675594 1377765533 /nfs/dbraw/zinc/76/55/33/1377765533.db2.gz CLSRPVLGOKNMHG-UHFFFAOYSA-N 1 0 327.266 3.128 20 10 EGCDRO COc1cc(C[N@H+](C)CCc2ccc(F)cc2)cc(C[NH+](C)C)c1O ZINC001139258810 1377857954 /nfs/dbraw/zinc/85/79/54/1377857954.db2.gz XARQLJJBFWKYEK-UHFFFAOYSA-N 1 0 346.446 3.276 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)ccc1N(C)C ZINC001139669779 1377930692 /nfs/dbraw/zinc/93/06/92/1377930692.db2.gz NGZZBPTWSVQSHS-BBRMVZONSA-N 1 0 330.394 3.196 20 10 EGCDRO Cc1cc(CN2CC[NH+](CCc3cccs3)CC2)ccc1N(C)C ZINC001139672311 1377930975 /nfs/dbraw/zinc/93/09/75/1377930975.db2.gz VKZXRSGNMPEKBY-UHFFFAOYSA-N 1 0 343.540 3.483 20 10 EGCDRO Cc1cc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139673014 1377931521 /nfs/dbraw/zinc/93/15/21/1377931521.db2.gz OGDNWHWVCJVIFD-UHFFFAOYSA-N 1 0 333.476 3.112 20 10 EGCDRO Oc1ccc(F)cc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001140060441 1377998517 /nfs/dbraw/zinc/99/85/17/1377998517.db2.gz WBNOYUNYGCJVGW-LPHOPBHVSA-N 1 0 326.415 3.238 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)c1ccc(F)cc1 ZINC001140060188 1377998548 /nfs/dbraw/zinc/99/85/48/1377998548.db2.gz OMTYLRRPKHDUDW-QGZVFWFLSA-N 1 0 346.377 3.065 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001140179007 1378026671 /nfs/dbraw/zinc/02/66/71/1378026671.db2.gz BJBBNBCGAHUVTK-DOTOQJQBSA-N 1 0 346.471 3.450 20 10 EGCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c1O ZINC001140180386 1378027387 /nfs/dbraw/zinc/02/73/87/1378027387.db2.gz VYEWSDRHZHASAL-OAQYLSRUSA-N 1 0 336.435 3.129 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)c1O ZINC001140184944 1378028021 /nfs/dbraw/zinc/02/80/21/1378028021.db2.gz LSNRMUVYNWYOTJ-UHFFFAOYSA-N 1 0 342.483 3.234 20 10 EGCDRO COc1cccnc1O[C@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184763 1378028187 /nfs/dbraw/zinc/02/81/87/1378028187.db2.gz HIBQIFFUHLPEAB-INIZCTEOSA-N 1 0 342.439 3.456 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)c1O ZINC001140185407 1378028467 /nfs/dbraw/zinc/02/84/67/1378028467.db2.gz UVIZDLZTWDWLOQ-UHFFFAOYSA-N 1 0 342.483 3.234 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]21 ZINC001140342028 1378049901 /nfs/dbraw/zinc/04/99/01/1378049901.db2.gz PBOOLPXMCOIIPE-BXUZGUMPSA-N 1 0 338.835 3.097 20 10 EGCDRO O=C1N(CC2CC2)CCC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140342363 1378050018 /nfs/dbraw/zinc/05/00/18/1378050018.db2.gz GNCNJXXFVQVTCO-UHFFFAOYSA-N 1 0 348.874 3.270 20 10 EGCDRO Oc1cc(Cl)ccc1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140462222 1378067445 /nfs/dbraw/zinc/06/74/45/1378067445.db2.gz AQABAINPQRQXFI-IRXDYDNUSA-N 1 0 343.858 3.004 20 10 EGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001140464667 1378068372 /nfs/dbraw/zinc/06/83/72/1378068372.db2.gz ZHSSNUQDESEGBF-HNNXBMFYSA-N 1 0 348.830 3.493 20 10 EGCDRO CCCCN1CC[C@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272618322 1378076774 /nfs/dbraw/zinc/07/67/74/1378076774.db2.gz FOVUIJMMZJJUFG-HXUWFJFHSA-N 1 0 330.472 3.397 20 10 EGCDRO CC(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001273285306 1378094356 /nfs/dbraw/zinc/09/43/56/1378094356.db2.gz PZTZWDLZFKHUPJ-HXUWFJFHSA-N 1 0 348.462 3.392 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001140619328 1378098623 /nfs/dbraw/zinc/09/86/23/1378098623.db2.gz ASYBITWBRRROAC-IYBDPMFKSA-N 1 0 346.471 3.389 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001140619675 1378099318 /nfs/dbraw/zinc/09/93/18/1378099318.db2.gz JWDYBJNYKKPKNQ-IBGZPJMESA-N 1 0 332.444 3.286 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1 ZINC001140620438 1378099436 /nfs/dbraw/zinc/09/94/36/1378099436.db2.gz OEBUWUJYLFXWIM-RDJZCZTQSA-N 1 0 343.496 3.254 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H]1c1ccccc1 ZINC001140624000 1378100399 /nfs/dbraw/zinc/10/03/99/1378100399.db2.gz BHVUTIFBDHBPFR-ROUUACIJSA-N 1 0 325.408 3.089 20 10 EGCDRO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661713 1378109533 /nfs/dbraw/zinc/10/95/33/1378109533.db2.gz OSHHQKRINIBQBZ-KRWDZBQOSA-N 1 0 336.451 3.053 20 10 EGCDRO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001273769069 1378110373 /nfs/dbraw/zinc/11/03/73/1378110373.db2.gz GPJJVTSZWKMNFJ-NVXWUHKLSA-N 1 0 330.472 3.217 20 10 EGCDRO CCOC(=O)c1ccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001140689584 1378115413 /nfs/dbraw/zinc/11/54/13/1378115413.db2.gz FYMZJXDCWYNHMD-UHFFFAOYSA-N 1 0 329.444 3.280 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c1O ZINC001140745565 1378128531 /nfs/dbraw/zinc/12/85/31/1378128531.db2.gz KSANYORBKHUFOO-AWEZNQCLSA-N 1 0 335.350 3.338 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CCc3nn(-c4ccccc4)cc3C2)c1O ZINC001140747499 1378129057 /nfs/dbraw/zinc/12/90/57/1378129057.db2.gz CARBZYOYCDPTES-UHFFFAOYSA-N 1 0 335.407 3.150 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c(O)c1 ZINC001140854956 1378158020 /nfs/dbraw/zinc/15/80/20/1378158020.db2.gz HSGOCHFRNGMNSX-LJQANCHMSA-N 1 0 331.504 3.299 20 10 EGCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140850776 1378158136 /nfs/dbraw/zinc/15/81/36/1378158136.db2.gz UFNIJYCTDASIHT-MRXNPFEDSA-N 1 0 348.487 3.404 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(n3ccnc3)CC2)c(O)c1 ZINC001140856244 1378159306 /nfs/dbraw/zinc/15/93/06/1378159306.db2.gz VIZWWCTWNPIGPH-UHFFFAOYSA-N 1 0 328.460 3.272 20 10 EGCDRO CC[C@H]1[N@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@]12CCC(=O)N2 ZINC001140923931 1378181772 /nfs/dbraw/zinc/18/17/72/1378181772.db2.gz IOJZGDYLZJPTNC-MJGOQNOKSA-N 1 0 349.906 3.429 20 10 EGCDRO Cc1cnc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3Cl)C2)nc1 ZINC001140926233 1378183599 /nfs/dbraw/zinc/18/35/99/1378183599.db2.gz IZICRNGMMRZIQC-INIZCTEOSA-N 1 0 346.862 3.158 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c(O)c1 ZINC001140954296 1378191594 /nfs/dbraw/zinc/19/15/94/1378191594.db2.gz OXFUSNSNFDZLCC-GOSISDBHSA-N 1 0 336.435 3.321 20 10 EGCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)nc1 ZINC001140954507 1378192186 /nfs/dbraw/zinc/19/21/86/1378192186.db2.gz VFUUEPXUVIPTOZ-QGZVFWFLSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1cc(O)c(CN(C)Cc2nc3ccccc3o2)c(OC)c1 ZINC001141029343 1378211826 /nfs/dbraw/zinc/21/18/26/1378211826.db2.gz QNACLKJCSGHZHS-UHFFFAOYSA-N 1 0 328.368 3.183 20 10 EGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cc(OC)cc1OC ZINC001141032868 1378213875 /nfs/dbraw/zinc/21/38/75/1378213875.db2.gz QGEZTWBYSFYYHY-UHFFFAOYSA-N 1 0 345.395 3.160 20 10 EGCDRO C[C@H]1C(=O)CC[N@H+](Cc2ccc3c(c2)OCCN3C)C12CCCC2 ZINC001141146475 1378248448 /nfs/dbraw/zinc/24/84/48/1378248448.db2.gz WOKMSUNDBRTSKA-HNNXBMFYSA-N 1 0 328.456 3.239 20 10 EGCDRO CN1CCOc2cc(CN3CCCC[C@H]3CC[NH+]3CCCC3)ccc21 ZINC001141142969 1378248677 /nfs/dbraw/zinc/24/86/77/1378248677.db2.gz IHZZOBCFJYWWKB-IBGZPJMESA-N 1 0 343.515 3.356 20 10 EGCDRO Oc1ccc(O)c(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)c1 ZINC001141161549 1378255225 /nfs/dbraw/zinc/25/52/25/1378255225.db2.gz VCCMWQUCKYJRSY-UHFFFAOYSA-N 1 0 334.803 3.190 20 10 EGCDRO Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2CC3CC[NH+]2CC3)cc1 ZINC001142632284 1378465977 /nfs/dbraw/zinc/46/59/77/1378465977.db2.gz IFCKWQPEWVICLN-HXUWFJFHSA-N 1 0 335.451 3.286 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCN(c3cccnc3)CC2)c1O ZINC001143103633 1378541110 /nfs/dbraw/zinc/54/11/10/1378541110.db2.gz IBBNEZNIRZSJTM-UHFFFAOYSA-N 1 0 325.456 3.407 20 10 EGCDRO COC[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)Cc2cn(C)nc21 ZINC001143105088 1378541274 /nfs/dbraw/zinc/54/12/74/1378541274.db2.gz IWKZUHPSYMNEAM-INIZCTEOSA-N 1 0 343.471 3.169 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001143111086 1378541949 /nfs/dbraw/zinc/54/19/49/1378541949.db2.gz XAXULHXIYTWIMP-QXAKKESOSA-N 1 0 345.483 3.316 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCC(N3CCOC3=O)CC2)c1O ZINC001143112488 1378542505 /nfs/dbraw/zinc/54/25/05/1378542505.db2.gz SVHWMBKOWDCFJQ-UHFFFAOYSA-N 1 0 332.444 3.106 20 10 EGCDRO O=C(c1ccccc1F)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515939 1378739528 /nfs/dbraw/zinc/73/95/28/1378739528.db2.gz JUUZVFGAHZHORI-UHFFFAOYSA-N 1 0 345.370 3.037 20 10 EGCDRO Cc1cc(C[N@H+](Cc2ccccc2)Cc2c(O)cc(O)cc2O)on1 ZINC001144515656 1378739816 /nfs/dbraw/zinc/73/98/16/1378739816.db2.gz UMKBRKPECJSEKW-UHFFFAOYSA-N 1 0 340.379 3.302 20 10 EGCDRO Cc1cccc(OC2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1 ZINC001144514566 1378740007 /nfs/dbraw/zinc/74/00/07/1378740007.db2.gz KUEZZWOYKZIWBV-UHFFFAOYSA-N 1 0 329.396 3.155 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+]C3(C4CC4)CCOCC3)cc2)CC1 ZINC001328002785 1388642864 /nfs/dbraw/zinc/64/28/64/1388642864.db2.gz XJCVLJAEFPIUPD-UHFFFAOYSA-N 1 0 344.499 3.351 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001156212628 1380543004 /nfs/dbraw/zinc/54/30/04/1380543004.db2.gz VXJAENHZWNHWHK-DZFIZOCASA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cscc2C)cc1C ZINC001156303048 1380554792 /nfs/dbraw/zinc/55/47/92/1380554792.db2.gz WRAPRSHPOLKFFW-UHFFFAOYSA-N 1 0 332.469 3.283 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)ccc3F)cc2)CC1 ZINC001156656087 1380605539 /nfs/dbraw/zinc/60/55/39/1380605539.db2.gz OKZUAEIKUOMSCI-UHFFFAOYSA-N 1 0 334.826 3.238 20 10 EGCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1Cl ZINC001156656666 1380605610 /nfs/dbraw/zinc/60/56/10/1380605610.db2.gz XWHZLPFYQAJWTN-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc2[nH]ccc21 ZINC001156657744 1380606052 /nfs/dbraw/zinc/60/60/52/1380606052.db2.gz PSQSHJIXMJUUMA-UHFFFAOYSA-N 1 0 335.455 3.235 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(F)ccc2F)cc1C ZINC001159974759 1381955223 /nfs/dbraw/zinc/95/52/23/1381955223.db2.gz KWADTXNKUGLIKM-UHFFFAOYSA-N 1 0 348.393 3.192 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001328496720 1388764502 /nfs/dbraw/zinc/76/45/02/1388764502.db2.gz WCGYDSNVZBHFAU-KRWDZBQOSA-N 1 0 331.504 3.271 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H](C)C2)cc1C ZINC001165399844 1383286479 /nfs/dbraw/zinc/28/64/79/1383286479.db2.gz IRIXECMIGPSYMZ-CRAIPNDOSA-N 1 0 332.488 3.426 20 10 EGCDRO Cc1cc2ncccc2nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431213 1383632287 /nfs/dbraw/zinc/63/22/87/1383632287.db2.gz MPPREFQSRLGZLW-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2nccn2c1 ZINC001167434191 1383632845 /nfs/dbraw/zinc/63/28/45/1383632845.db2.gz FCQQSTIQTTUMSN-UHFFFAOYSA-N 1 0 335.455 3.007 20 10 EGCDRO CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001169051568 1384100769 /nfs/dbraw/zinc/10/07/69/1384100769.db2.gz XNVFUUQHFRMILA-FXAWDEMLSA-N 1 0 329.440 3.378 20 10 EGCDRO CCN(CC)C(=O)C[C@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001169478146 1384151687 /nfs/dbraw/zinc/15/16/87/1384151687.db2.gz NXUJDEJQNXXOOO-KRWDZBQOSA-N 1 0 331.504 3.366 20 10 EGCDRO Cc1cc(NC2CC2)nc(NCc2cc(Br)ccc2O)[nH+]1 ZINC001171167916 1384459327 /nfs/dbraw/zinc/45/93/27/1384459327.db2.gz PGWHTHLIVIENLL-UHFFFAOYSA-N 1 0 349.232 3.440 20 10 EGCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1NCC(C)(C)[NH3+])N=[N+]=[N-] ZINC001171188850 1384464288 /nfs/dbraw/zinc/46/42/88/1384464288.db2.gz SOSDEYOECIJVHL-JYRVWZFOSA-N 1 0 332.408 3.062 20 10 EGCDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1ccc(O)cc1O)CC2 ZINC001171287371 1384485941 /nfs/dbraw/zinc/48/59/41/1384485941.db2.gz FEKFUCXZVLPJPK-LBPRGKRZSA-N 1 0 333.815 3.407 20 10 EGCDRO COCCCN1CCC([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001172255552 1384757322 /nfs/dbraw/zinc/75/73/22/1384757322.db2.gz VRZLHVWPQKHCQJ-UHFFFAOYSA-N 1 0 345.531 3.220 20 10 EGCDRO COC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC001173712584 1385007020 /nfs/dbraw/zinc/00/70/20/1385007020.db2.gz BQNPNXJHOKKQKK-OAHLLOKOSA-N 1 0 326.440 3.260 20 10 EGCDRO C[NH+](C)CCn1cc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001176449846 1385591480 /nfs/dbraw/zinc/59/14/80/1385591480.db2.gz VEMGZGJWSFVGJJ-UHFFFAOYSA-N 1 0 335.455 3.361 20 10 EGCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001320429153 1386607414 /nfs/dbraw/zinc/60/74/14/1386607414.db2.gz HZCUEFHPHPRHJC-AZUAARDMSA-N 1 0 330.472 3.498 20 10 EGCDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC001180130313 1386706656 /nfs/dbraw/zinc/70/66/56/1386706656.db2.gz HLXAQDISGOCKBJ-VPWSRKDSSA-N 1 0 329.488 3.001 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(C)CN(C(=O)CC3CC3)C[C@H]2C)cc1C ZINC001180373591 1386778475 /nfs/dbraw/zinc/77/84/75/1386778475.db2.gz ZUCHKMMMEVHLMV-IIBYNOLFSA-N 1 0 344.499 3.378 20 10 EGCDRO CC(C)C[NH2+]CCCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001180419039 1386791307 /nfs/dbraw/zinc/79/13/07/1386791307.db2.gz MJPRTYXXJNYYDU-UHFFFAOYSA-N 1 0 347.463 3.385 20 10 EGCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001329791019 1389224980 /nfs/dbraw/zinc/22/49/80/1389224980.db2.gz GGSZWIIRBMJYOV-NVXWUHKLSA-N 1 0 342.405 3.280 20 10 EGCDRO Cc1nnc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)n1C ZINC001330364504 1389399059 /nfs/dbraw/zinc/39/90/59/1389399059.db2.gz XENPZVMXCGMTFT-GOSISDBHSA-N 1 0 336.439 3.293 20 10 EGCDRO C[N@H+](Cc1ccc(N)cc1)[C@H](CO)c1cccc(Br)c1 ZINC001334774196 1390586398 /nfs/dbraw/zinc/58/63/98/1390586398.db2.gz GIIWGSMAIRNWDY-MRXNPFEDSA-N 1 0 335.245 3.197 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)COCC2CCCCC2)c(O)c1OC ZINC001335560543 1390703693 /nfs/dbraw/zinc/70/36/93/1390703693.db2.gz LVEWPFHNINOCCV-CQSZACIVSA-N 1 0 337.460 3.484 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c(C(F)(F)F)c1 ZINC001344378054 1390787822 /nfs/dbraw/zinc/78/78/22/1390787822.db2.gz NGTBGHHEVKXOBO-MRXNPFEDSA-N 1 0 328.378 3.118 20 10 EGCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001347178991 1391019190 /nfs/dbraw/zinc/01/91/90/1391019190.db2.gz MQLSOYSEIRXMSU-IBGZPJMESA-N 1 0 345.487 3.387 20 10 EGCDRO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001347701738 1391112891 /nfs/dbraw/zinc/11/28/91/1391112891.db2.gz MDAUIKZJQOLHER-HNNXBMFYSA-N 1 0 326.440 3.284 20 10 EGCDRO Nc1ccc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC001352789446 1391849657 /nfs/dbraw/zinc/84/96/57/1391849657.db2.gz WLHVOCUIZDVGEM-UHFFFAOYSA-N 1 0 335.451 3.326 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001753003576 1440265342 /nfs/dbraw/zinc/26/53/42/1440265342.db2.gz VSBHSGUJRKSKQJ-CYBMUJFWSA-N 1 0 349.862 3.283 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CC(C)C)cc1C ZINC001753878471 1440520075 /nfs/dbraw/zinc/52/00/75/1440520075.db2.gz RXKDKWMILSINAL-ROUUACIJSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1C ZINC001754235934 1440554815 /nfs/dbraw/zinc/55/48/15/1440554815.db2.gz UPDOHEPFTPXVTJ-OWYHZJEWSA-N 1 0 344.499 3.424 20 10 EGCDRO CCn1cccc1C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001755272114 1440797966 /nfs/dbraw/zinc/79/79/66/1440797966.db2.gz YVMBZBQQXFIFIH-CVEARBPZSA-N 1 0 343.471 3.122 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)C(C)(F)F)C(C)(C)C)cc1C ZINC001755816206 1440923611 /nfs/dbraw/zinc/92/36/11/1440923611.db2.gz GKKRHVHESLQHNW-OAHLLOKOSA-N 1 0 342.430 3.279 20 10 EGCDRO CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001593264174 994563273 /nfs/dbraw/zinc/56/32/73/994563273.db2.gz GLSNEYQCRNGRQN-CQSZACIVSA-N 1 0 334.460 3.252 20 10 EGCDRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c(O)cccc1Cl ZINC000116350465 1126076297 /nfs/dbraw/zinc/07/62/97/1126076297.db2.gz WZXBFAMBNHTVSY-ZDUSSCGKSA-N 1 0 330.815 3.220 20 10 EGCDRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001318587372 1126169136 /nfs/dbraw/zinc/16/91/36/1126169136.db2.gz IXNQUIMDCQEZDQ-LJQANCHMSA-N 1 0 349.478 3.461 20 10 EGCDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(C)c(C)cc1O ZINC000008985367 211025207 /nfs/dbraw/zinc/02/52/07/211025207.db2.gz KVXAKJAOJXGWFE-UHFFFAOYSA-N 1 0 344.430 3.286 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000280189320 455911646 /nfs/dbraw/zinc/91/16/46/455911646.db2.gz SERRVCMXXSLCSN-JTQLQIEISA-N 1 0 343.445 3.237 20 10 EGCDRO Fc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccc1N1CCOCC1 ZINC000237851809 455226347 /nfs/dbraw/zinc/22/63/47/455226347.db2.gz MSSKEMMNKZZUMY-UHFFFAOYSA-N 1 0 339.414 3.433 20 10 EGCDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183169682 455242898 /nfs/dbraw/zinc/24/28/98/455242898.db2.gz HFKDXNBJTRABFL-DOTOQJQBSA-N 1 0 327.424 3.174 20 10 EGCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000183212545 455252609 /nfs/dbraw/zinc/25/26/09/455252609.db2.gz TYAHRFUKRGJQDA-MRXNPFEDSA-N 1 0 331.504 3.490 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(OC)c3)c2)CC1 ZINC000184274337 455368219 /nfs/dbraw/zinc/36/82/19/455368219.db2.gz YRVQOYVALDCVMN-UHFFFAOYSA-N 1 0 339.439 3.089 20 10 EGCDRO O=C(C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)N1CCCC1 ZINC000028708765 453824375 /nfs/dbraw/zinc/82/43/75/453824375.db2.gz OJGHMULLIJSLNX-UHFFFAOYSA-N 1 0 338.451 3.380 20 10 EGCDRO CC1CC[NH+](CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000053561728 453888212 /nfs/dbraw/zinc/88/82/12/453888212.db2.gz LKTQMQJEJOKCFZ-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000077328302 454092026 /nfs/dbraw/zinc/09/20/26/454092026.db2.gz HUFPDNRNTUXIQL-UHFFFAOYSA-N 1 0 338.451 3.441 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000090181562 454290443 /nfs/dbraw/zinc/29/04/43/454290443.db2.gz SYPXNRMSQJQYBC-DOTOQJQBSA-N 1 0 327.472 3.091 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2ccsc2)c1O ZINC000184709014 455433157 /nfs/dbraw/zinc/43/31/57/455433157.db2.gz SGGWUOGRIIXEGV-OAHLLOKOSA-N 1 0 327.833 3.113 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1 ZINC000078907799 454335971 /nfs/dbraw/zinc/33/59/71/454335971.db2.gz AZGSUUWOFPWZJU-UHFFFAOYSA-N 1 0 349.482 3.462 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1OC ZINC000160406412 455455223 /nfs/dbraw/zinc/45/52/23/455455223.db2.gz HHPKOXCSRZIJFC-HXUWFJFHSA-N 1 0 343.423 3.157 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000093512738 454718980 /nfs/dbraw/zinc/71/89/80/454718980.db2.gz BCBCJPXRCBFAOQ-UHFFFAOYSA-N 1 0 331.847 3.067 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000093740688 454731169 /nfs/dbraw/zinc/73/11/69/454731169.db2.gz YUZOGXPNMSAQIR-UHFFFAOYSA-N 1 0 338.407 3.216 20 10 EGCDRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(N(C)C)cc1 ZINC000162227677 454760803 /nfs/dbraw/zinc/76/08/03/454760803.db2.gz BIFSNFOBGFRJON-KRWDZBQOSA-N 1 0 338.499 3.463 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c1 ZINC000184911239 455471645 /nfs/dbraw/zinc/47/16/45/455471645.db2.gz JQYNPVXZLGZAGR-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccco1 ZINC000177576841 454879657 /nfs/dbraw/zinc/87/96/57/454879657.db2.gz TWBOUWANHKEOSU-GFCCVEGCSA-N 1 0 326.190 3.225 20 10 EGCDRO CSC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154312692 454883990 /nfs/dbraw/zinc/88/39/90/454883990.db2.gz FZRXXSJYEQXREF-CYBMUJFWSA-N 1 0 326.481 3.455 20 10 EGCDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164582301 454885640 /nfs/dbraw/zinc/88/56/40/454885640.db2.gz ZHKFBJKPERFCBO-KRWDZBQOSA-N 1 0 342.487 3.159 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185012267 455485839 /nfs/dbraw/zinc/48/58/39/455485839.db2.gz ARMFLHXPHLIJAT-AWEZNQCLSA-N 1 0 331.412 3.277 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1)C1CCCCC1 ZINC000166469847 454911476 /nfs/dbraw/zinc/91/14/76/454911476.db2.gz NBWUIDXVEFVRTI-IRXDYDNUSA-N 1 0 329.488 3.199 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000154740229 454925515 /nfs/dbraw/zinc/92/55/15/454925515.db2.gz QANFGVUIJNIZEB-HXOBKFHXSA-N 1 0 333.453 3.000 20 10 EGCDRO CC[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)N1CCCC1 ZINC000151685195 455016807 /nfs/dbraw/zinc/01/68/07/455016807.db2.gz VKZBAQCAKQBREO-SFHVURJKSA-N 1 0 331.504 3.128 20 10 EGCDRO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151853934 455040201 /nfs/dbraw/zinc/04/02/01/455040201.db2.gz BTYCFKQAVKNVQR-SJORKVTESA-N 1 0 349.494 3.187 20 10 EGCDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156069086 455078133 /nfs/dbraw/zinc/07/81/33/455078133.db2.gz RKYUZIGYZXSJCL-CYBMUJFWSA-N 1 0 347.434 3.160 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000156410671 455114626 /nfs/dbraw/zinc/11/46/26/455114626.db2.gz YOMDWZGYCQUYJM-GDBMZVCRSA-N 1 0 343.446 3.433 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1O ZINC000183417615 455290270 /nfs/dbraw/zinc/29/02/70/455290270.db2.gz ZMSHAYQXCGZSPE-CQSZACIVSA-N 1 0 342.414 3.487 20 10 EGCDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183518306 455302894 /nfs/dbraw/zinc/30/28/94/455302894.db2.gz LTJUFHMUGOUQOL-ZFWWWQNUSA-N 1 0 326.481 3.455 20 10 EGCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000158568522 455312755 /nfs/dbraw/zinc/31/27/55/455312755.db2.gz FTCJUZVFRBFKOF-GJZGRUSLSA-N 1 0 333.453 3.214 20 10 EGCDRO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cc2c(cc1O)CCCC2 ZINC000183856509 455332995 /nfs/dbraw/zinc/33/29/95/455332995.db2.gz QXKXUYIHUVGOCK-CYBMUJFWSA-N 1 0 326.444 3.050 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1 ZINC000181615031 455362560 /nfs/dbraw/zinc/36/25/60/455362560.db2.gz SEYBQBFXWARTRB-QGZVFWFLSA-N 1 0 330.428 3.311 20 10 EGCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000184294983 455368873 /nfs/dbraw/zinc/36/88/73/455368873.db2.gz WEMHNQDMDGRJJM-OAHLLOKOSA-N 1 0 343.446 3.341 20 10 EGCDRO COc1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1O ZINC000160193875 455437492 /nfs/dbraw/zinc/43/74/92/455437492.db2.gz VANLKBOVSFFHDG-KRWDZBQOSA-N 1 0 343.423 3.288 20 10 EGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)C12CCC2 ZINC000160429123 455457845 /nfs/dbraw/zinc/45/78/45/455457845.db2.gz OYJWXXVVQWUQEB-QZTJIDSGSA-N 1 0 335.444 3.189 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000184973249 455479781 /nfs/dbraw/zinc/47/97/81/455479781.db2.gz DJMWEUFYPMSKMK-AWEZNQCLSA-N 1 0 327.428 3.247 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCCc3ccccc32)c1 ZINC000182314966 455487010 /nfs/dbraw/zinc/48/70/10/455487010.db2.gz CZTLXSSNFCEEKM-CQSZACIVSA-N 1 0 340.423 3.031 20 10 EGCDRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cc(F)ccc1O ZINC000185069313 455496203 /nfs/dbraw/zinc/49/62/03/455496203.db2.gz BQCROHLPIIFNGJ-AWEZNQCLSA-N 1 0 329.419 3.242 20 10 EGCDRO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000191662387 455508614 /nfs/dbraw/zinc/50/86/14/455508614.db2.gz HQFYCQOCHQEKSK-FQEVSTJZSA-N 1 0 338.451 3.396 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cc(Cl)ccc1O ZINC000185183829 455517948 /nfs/dbraw/zinc/51/79/48/455517948.db2.gz BUROTOIIUZELCV-OLZOCXBDSA-N 1 0 332.831 3.401 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC000191780722 455519127 /nfs/dbraw/zinc/51/91/27/455519127.db2.gz DXIGOPQUNWVNSV-FOIQADDNSA-N 1 0 329.440 3.120 20 10 EGCDRO COCCCN1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185314572 455538016 /nfs/dbraw/zinc/53/80/16/455538016.db2.gz DKMZWRGMNUTPNA-INIZCTEOSA-N 1 0 346.515 3.423 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000185446499 455558853 /nfs/dbraw/zinc/55/88/53/455558853.db2.gz CDDJHRAUMGIGDT-GFCCVEGCSA-N 1 0 348.830 3.135 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442498 455558927 /nfs/dbraw/zinc/55/89/27/455558927.db2.gz ZHBZQHXYLXDUDY-QWHCGFSZSA-N 1 0 336.432 3.061 20 10 EGCDRO C[NH+](C)Cc1ccsc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000268093126 455590984 /nfs/dbraw/zinc/59/09/84/455590984.db2.gz JFQZFDHLVNIXGA-UHFFFAOYSA-N 1 0 343.496 3.340 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000185660604 455591251 /nfs/dbraw/zinc/59/12/51/455591251.db2.gz JYADTGQQPDIERM-LBPRGKRZSA-N 1 0 338.448 3.355 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000271374307 455614124 /nfs/dbraw/zinc/61/41/24/455614124.db2.gz HFEJVWLVOKQUAT-OAHLLOKOSA-N 1 0 338.467 3.112 20 10 EGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000277635494 455620176 /nfs/dbraw/zinc/62/01/76/455620176.db2.gz KQQLZFGHXHWQAW-UHFFFAOYSA-N 1 0 347.459 3.081 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000268311389 455647897 /nfs/dbraw/zinc/64/78/97/455647897.db2.gz XQRSWBBWYFVSOQ-RDJZCZTQSA-N 1 0 347.386 3.415 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000271571823 455688290 /nfs/dbraw/zinc/68/82/90/455688290.db2.gz YUKNXYGSGXEQJK-WMZOPIPTSA-N 1 0 330.472 3.276 20 10 EGCDRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1=O ZINC000186102012 455694326 /nfs/dbraw/zinc/69/43/26/455694326.db2.gz XMUGTEXEUIPZFH-ZBFHGGJFSA-N 1 0 340.423 3.165 20 10 EGCDRO C[C@@H]([NH2+]CCOc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000268719377 455711602 /nfs/dbraw/zinc/71/16/02/455711602.db2.gz KCIXKLBVRRAOJQ-MRXNPFEDSA-N 1 0 344.430 3.392 20 10 EGCDRO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268701271 455711615 /nfs/dbraw/zinc/71/16/15/455711615.db2.gz AAOFQKHDBUCVLO-INIZCTEOSA-N 1 0 349.494 3.187 20 10 EGCDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000268776503 455713037 /nfs/dbraw/zinc/71/30/37/455713037.db2.gz RVMHVWAGCDKGCE-ZDUSSCGKSA-N 1 0 349.475 3.321 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000186303472 455738116 /nfs/dbraw/zinc/73/81/16/455738116.db2.gz SCEPVJKHWRBXMG-IEBWSBKVSA-N 1 0 338.451 3.482 20 10 EGCDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268951677 455741502 /nfs/dbraw/zinc/74/15/02/455741502.db2.gz VHWFBQASBRDPIT-KUHUBIRLSA-N 1 0 338.467 3.110 20 10 EGCDRO Cc1cc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)ccc1N(C)C ZINC000292735851 455743821 /nfs/dbraw/zinc/74/38/21/455743821.db2.gz GYVCMPUMLCHPNF-QHCPKHFHSA-N 1 0 330.497 3.430 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc2ccccc2c1O ZINC000186375397 455754902 /nfs/dbraw/zinc/75/49/02/455754902.db2.gz PWEVNSUSAGNGRC-HOCLYGCPSA-N 1 0 343.423 3.118 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268991653 455756780 /nfs/dbraw/zinc/75/67/80/455756780.db2.gz RLUSXMYWSNFWMF-KBXCAEBGSA-N 1 0 338.492 3.335 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c(O)c1 ZINC000284960482 455768237 /nfs/dbraw/zinc/76/82/37/455768237.db2.gz FKZOVSHZLAJMAG-HZPDHXFCSA-N 1 0 328.460 3.062 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c1O ZINC000271811253 455770182 /nfs/dbraw/zinc/77/01/82/455770182.db2.gz KVMMYGBGSRRLFC-VXGBXAGGSA-N 1 0 328.250 3.368 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCNC(=O)OC(C)(C)C)c1 ZINC000186517800 455785081 /nfs/dbraw/zinc/78/50/81/455785081.db2.gz DLHWOBXAIUOKAC-CYBMUJFWSA-N 1 0 338.448 3.356 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H]3CCSC3)cc2F)C[C@H](C)O1 ZINC000278299394 455810244 /nfs/dbraw/zinc/81/02/44/455810244.db2.gz CMBTZGHYYOUERP-LZWOXQAQSA-N 1 0 338.492 3.282 20 10 EGCDRO CCCN(Cc1ccc2c(c1)CCC(=O)N2C)c1ccc(C[NH3+])cc1 ZINC000278351498 455825932 /nfs/dbraw/zinc/82/59/32/455825932.db2.gz IPPODXOZNXXDRQ-UHFFFAOYSA-N 1 0 337.467 3.471 20 10 EGCDRO COCC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)CC(C)C ZINC000294781559 455827683 /nfs/dbraw/zinc/82/76/83/455827683.db2.gz ANNDICUIBJFURA-UHFFFAOYSA-N 1 0 334.504 3.406 20 10 EGCDRO CCC1(O)CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000294880544 455830975 /nfs/dbraw/zinc/83/09/75/455830975.db2.gz FMIUTLJEHKWRAA-UHFFFAOYSA-N 1 0 332.488 3.039 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1O ZINC000278875948 455851491 /nfs/dbraw/zinc/85/14/91/455851491.db2.gz ZAFDWMSBTZUYKQ-CQSZACIVSA-N 1 0 325.767 3.017 20 10 EGCDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295956692 455864482 /nfs/dbraw/zinc/86/44/82/455864482.db2.gz JALFMMAFTZQLPT-HXUWFJFHSA-N 1 0 332.488 3.039 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccc1C ZINC000272238678 455887855 /nfs/dbraw/zinc/88/78/55/455887855.db2.gz KPNFRPOXDHBRFF-NVXWUHKLSA-N 1 0 325.456 3.212 20 10 EGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Cl)ccc1O ZINC000285677739 455894492 /nfs/dbraw/zinc/89/44/92/455894492.db2.gz NKWSWCBWQXFXEJ-LLVKDONJSA-N 1 0 331.865 3.054 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000272328290 455915656 /nfs/dbraw/zinc/91/56/56/455915656.db2.gz VONLOZAXGOFUSP-SWLSCSKDSA-N 1 0 338.423 3.266 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000286191319 455996956 /nfs/dbraw/zinc/99/69/56/455996956.db2.gz QVZVKGUHBCXRQL-QGZVFWFLSA-N 1 0 347.434 3.108 20 10 EGCDRO C[C@@H](c1ccc(N(C)C)cc1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296637771 455997181 /nfs/dbraw/zinc/99/71/81/455997181.db2.gz XVTCDXJLHHOPRE-XYJFISCASA-N 1 0 337.467 3.095 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]CC1(N3CCCCC3)CCOCC1)CC2 ZINC000296706069 456014805 /nfs/dbraw/zinc/01/48/05/456014805.db2.gz HXMGPOGAPHKEKH-QGZVFWFLSA-N 1 0 330.472 3.004 20 10 EGCDRO Cc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000286295279 456018275 /nfs/dbraw/zinc/01/82/75/456018275.db2.gz WLFLMRGGUZXNHM-KRWDZBQOSA-N 1 0 339.483 3.450 20 10 EGCDRO Cc1ccc([C@@H]([NH2+]Cc2cc(C)ccc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280677120 456029176 /nfs/dbraw/zinc/02/91/76/456029176.db2.gz MUBXRDSTZKOKHT-BEFAXECRSA-N 1 0 347.480 3.273 20 10 EGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c(F)cn1 ZINC000287794218 456079446 /nfs/dbraw/zinc/07/94/46/456079446.db2.gz SZXLZFOQHDWUPU-CYBMUJFWSA-N 1 0 329.419 3.463 20 10 EGCDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271055347 456114557 /nfs/dbraw/zinc/11/45/57/456114557.db2.gz ACJURLBSIAYDKW-NIKGAXFTSA-N 1 0 349.471 3.435 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)cc1OC ZINC000289812855 456143565 /nfs/dbraw/zinc/14/35/65/456143565.db2.gz NRZDUDVVMBAGQP-UHFFFAOYSA-N 1 0 326.396 3.489 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2c(C)nc3sccn32)c1 ZINC000271175970 456154899 /nfs/dbraw/zinc/15/48/99/456154899.db2.gz WNSGMZUCAMATKK-UHFFFAOYSA-N 1 0 331.441 3.441 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236825710 456188091 /nfs/dbraw/zinc/18/80/91/456188091.db2.gz CARFPIYMCFMGTJ-IBGZPJMESA-N 1 0 325.456 3.011 20 10 EGCDRO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273439673 456231941 /nfs/dbraw/zinc/23/19/41/456231941.db2.gz YBXYLYNDZKOXSJ-GJZGRUSLSA-N 1 0 336.476 3.340 20 10 EGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273552526 456237163 /nfs/dbraw/zinc/23/71/63/456237163.db2.gz GDVPYBWJCSMLRL-IFXJQAMLSA-N 1 0 345.439 3.410 20 10 EGCDRO CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290297340 456282008 /nfs/dbraw/zinc/28/20/08/456282008.db2.gz NGBSFZWDRVMREF-OAHLLOKOSA-N 1 0 338.467 3.376 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc1 ZINC000275828108 456324363 /nfs/dbraw/zinc/32/43/63/456324363.db2.gz FNOZOFDKJGKMLA-MRXNPFEDSA-N 1 0 341.503 3.494 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)c(C)n1-c1ccccc1 ZINC000282071111 456406964 /nfs/dbraw/zinc/40/69/64/456406964.db2.gz WTRVBULAOVYIPI-QGZVFWFLSA-N 1 0 325.456 3.295 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291029317 456501856 /nfs/dbraw/zinc/50/18/56/456501856.db2.gz DUILYRWDWVITPB-CYBMUJFWSA-N 1 0 343.402 3.302 20 10 EGCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000282614821 456570010 /nfs/dbraw/zinc/57/00/10/456570010.db2.gz NUBSXJLXPWGGSF-INIZCTEOSA-N 1 0 337.423 3.346 20 10 EGCDRO O=C(NCc1ccccc1O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000299557254 456727202 /nfs/dbraw/zinc/72/72/02/456727202.db2.gz YYJJOPSSURBDAF-SFHVURJKSA-N 1 0 339.439 3.029 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cc2c(cc1O)CCCC2 ZINC000369901171 457451618 /nfs/dbraw/zinc/45/16/18/457451618.db2.gz FJZKMQPUUVLWLK-NQYLQCIDSA-N 1 0 331.456 3.260 20 10 EGCDRO CC(C)OC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000364197290 457521664 /nfs/dbraw/zinc/52/16/64/457521664.db2.gz SNXKYXKPGOOESO-FQEVSTJZSA-N 1 0 332.488 3.303 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000366021370 457789169 /nfs/dbraw/zinc/78/91/69/457789169.db2.gz AIXXCMYDBXSHPH-MRXNPFEDSA-N 1 0 326.440 3.407 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217165 457801345 /nfs/dbraw/zinc/80/13/45/457801345.db2.gz DSFUMCUDNPSHFM-DZFGPLHGSA-N 1 0 343.515 3.191 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC2(CCOCC2)O1 ZINC000366731676 457893320 /nfs/dbraw/zinc/89/33/20/457893320.db2.gz USJVDBYZDFCDNF-GOSISDBHSA-N 1 0 344.499 3.447 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367270602 457939569 /nfs/dbraw/zinc/93/95/69/457939569.db2.gz LRXUZDDTOYDKEH-ROUUACIJSA-N 1 0 345.487 3.331 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3COc4ccccc43)CC2)cc1 ZINC000367294243 457943247 /nfs/dbraw/zinc/94/32/47/457943247.db2.gz IXJLNYIADJOBPZ-MRXNPFEDSA-N 1 0 338.451 3.430 20 10 EGCDRO c1ccc(CN2CCc3cc(C[NH2+]CCc4cnccn4)ccc32)cc1 ZINC000375739168 458044144 /nfs/dbraw/zinc/04/41/44/458044144.db2.gz XSAHSQMQZPKKEE-UHFFFAOYSA-N 1 0 344.462 3.372 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000368564788 458045935 /nfs/dbraw/zinc/04/59/35/458045935.db2.gz VSMYVYCEAAXKMB-RTBURBONSA-N 1 0 342.487 3.060 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1O ZINC000375960277 458139936 /nfs/dbraw/zinc/13/99/36/458139936.db2.gz JETVMMKCDIYOSA-CQSZACIVSA-N 1 0 337.847 3.497 20 10 EGCDRO Cn1cncc1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377729207 458512444 /nfs/dbraw/zinc/51/24/44/458512444.db2.gz XPKAKRGFIYKWKJ-UHFFFAOYSA-N 1 0 332.451 3.273 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000471668026 458711021 /nfs/dbraw/zinc/71/10/21/458711021.db2.gz OGUXSDNZDBXQSN-HNNXBMFYSA-N 1 0 342.487 3.018 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000472219727 458775457 /nfs/dbraw/zinc/77/54/57/458775457.db2.gz HLAIIXOHAJKERA-ZBFHGGJFSA-N 1 0 342.487 3.111 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccccc3NC2=O)c2c1c(F)ccc2O ZINC000528002970 459793867 /nfs/dbraw/zinc/79/38/67/459793867.db2.gz UIIPBHWWCOGJOU-KMUNFCNLSA-N 1 0 326.371 3.233 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)c1nncn1C)c1cc(Br)ccc1O ZINC000037017382 522940342 /nfs/dbraw/zinc/94/03/42/522940342.db2.gz IJTPXQGYCQUZBO-BXKDBHETSA-N 1 0 339.237 3.085 20 10 EGCDRO Oc1ccc2ccncc2c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000738267870 574552257 /nfs/dbraw/zinc/55/22/57/574552257.db2.gz AKBFILRZGWVSJB-UHFFFAOYSA-N 1 0 325.456 3.391 20 10 EGCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)c3ccc(F)cc3F)ccc21 ZINC000727643609 574680192 /nfs/dbraw/zinc/68/01/92/574680192.db2.gz FTUWTLMMBNJPJG-IBGZPJMESA-N 1 0 332.394 3.170 20 10 EGCDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C1=CC(=O)CS1 ZINC000732280812 575254063 /nfs/dbraw/zinc/25/40/63/575254063.db2.gz QBSLPQMDLFBEMD-UHFFFAOYSA-N 1 0 348.493 3.297 20 10 EGCDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732817961 575289732 /nfs/dbraw/zinc/28/97/32/575289732.db2.gz KQVMJKPYWPYORO-SFHVURJKSA-N 1 0 335.448 3.082 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccccc2O)c(Br)cc1O ZINC000733327401 575328012 /nfs/dbraw/zinc/32/80/12/575328012.db2.gz QFIGLJIFBXLGJL-UHFFFAOYSA-N 1 0 338.201 3.159 20 10 EGCDRO CCOc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)c(O)c1 ZINC000733334534 575328565 /nfs/dbraw/zinc/32/85/65/575328565.db2.gz LPTMGAFTAHOPBM-UHFFFAOYSA-N 1 0 343.402 3.149 20 10 EGCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734530108 575509690 /nfs/dbraw/zinc/50/96/90/575509690.db2.gz CQGZQDORCYKFLU-GOSISDBHSA-N 1 0 346.519 3.125 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@](C)(CO)c2ccccc2)ccc1OC ZINC000734844079 575559305 /nfs/dbraw/zinc/55/93/05/575559305.db2.gz TXWQRNAEBMDKIV-FQEVSTJZSA-N 1 0 329.440 3.229 20 10 EGCDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000734864691 575564799 /nfs/dbraw/zinc/56/47/99/575564799.db2.gz GXUKXZZRASNPQM-ZDUSSCGKSA-N 1 0 330.453 3.409 20 10 EGCDRO CCOc1ccc(C[NH2+]C2(C(=O)N(CC)CC)CCCCC2)c(O)c1 ZINC000736639277 575996817 /nfs/dbraw/zinc/99/68/17/575996817.db2.gz POEUYCFANCAHAJ-UHFFFAOYSA-N 1 0 348.487 3.452 20 10 EGCDRO CC[N@H+](CCC(=O)OC)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738097795 576288756 /nfs/dbraw/zinc/28/87/56/576288756.db2.gz UBDRDXTWGKLVEG-UHFFFAOYSA-N 1 0 331.412 3.402 20 10 EGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000744448723 576828700 /nfs/dbraw/zinc/82/87/00/576828700.db2.gz NLJPWGBJVPAWDI-GOSISDBHSA-N 1 0 335.448 3.346 20 10 EGCDRO COc1ccc(CC[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000691441975 1298133731 /nfs/dbraw/zinc/13/37/31/1298133731.db2.gz ZPVLPRDOZGIKDZ-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO CN(Cc1ccc(Br)cc1O)CC1([NH+](C)C)CCC1 ZINC000691680913 1298135119 /nfs/dbraw/zinc/13/51/19/1298135119.db2.gz WOLNKFRPAHEKKY-UHFFFAOYSA-N 1 0 327.266 3.071 20 10 EGCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000769410075 1303108898 /nfs/dbraw/zinc/10/88/98/1303108898.db2.gz YDMKTLJTJXOPPO-CRAIPNDOSA-N 1 0 329.488 3.057 20 10 EGCDRO CC(C)([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000793395460 1309363473 /nfs/dbraw/zinc/36/34/73/1309363473.db2.gz PRMFJZUGJVDKLF-UHFFFAOYSA-N 1 0 329.488 3.168 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCc4nn(C)cc43)CC2)cc1 ZINC000794803328 1309598622 /nfs/dbraw/zinc/59/86/22/1309598622.db2.gz IHQGEOLOFVCOHU-LJQANCHMSA-N 1 0 340.471 3.065 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)CC2CCCCC2)c1O ZINC000841894512 1321328546 /nfs/dbraw/zinc/32/85/46/1321328546.db2.gz XUTHSAFVMQWZTP-OAHLLOKOSA-N 1 0 327.852 3.475 20 10 EGCDRO C[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])C[NH+]1CCCCC1 ZINC000048797560 1291618243 /nfs/dbraw/zinc/61/82/43/1291618243.db2.gz HAIVQMTYHHMXQE-ZDUSSCGKSA-N 1 0 341.293 3.366 20 10 EGCDRO COCCC[N@H+](CCOC)Cc1c(O)ccc2ccc(OC)cc21 ZINC000068963720 1292224034 /nfs/dbraw/zinc/22/40/34/1292224034.db2.gz XDTDKJQBGIPXBI-UHFFFAOYSA-N 1 0 333.428 3.039 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000827645271 1292351180 /nfs/dbraw/zinc/35/11/80/1292351180.db2.gz UDSVTOWVLFKOQA-UHFFFAOYSA-N 1 0 325.408 3.194 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)ccc1N1CCCCC1 ZINC000827654861 1292353138 /nfs/dbraw/zinc/35/31/38/1292353138.db2.gz CFEOUZCMWCRXDL-GOSISDBHSA-N 1 0 343.515 3.463 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1Cl ZINC000827714694 1292359454 /nfs/dbraw/zinc/35/94/54/1292359454.db2.gz DZOHTTFADIHEMS-HNNXBMFYSA-N 1 0 327.758 3.455 20 10 EGCDRO CCOC(=O)CC1([NH2+]Cc2ccc(N(CC)CC)cc2)CCOCC1 ZINC000827757845 1292366749 /nfs/dbraw/zinc/36/67/49/1292366749.db2.gz OOWKDJBVHSGSMP-UHFFFAOYSA-N 1 0 348.487 3.125 20 10 EGCDRO Cc1cc(C[N@H+](CCO)Cc2cccnc2)ccc1N1CCCCC1 ZINC000828053586 1292424503 /nfs/dbraw/zinc/42/45/03/1292424503.db2.gz WCYCKKBHYRFXHE-UHFFFAOYSA-N 1 0 339.483 3.375 20 10 EGCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828493067 1292467545 /nfs/dbraw/zinc/46/75/45/1292467545.db2.gz ZQWKUBWUVDPRQI-FQEVSTJZSA-N 1 0 343.515 3.286 20 10 EGCDRO Cc1cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)ccc1N1CCCCC1 ZINC000828953127 1292521429 /nfs/dbraw/zinc/52/14/29/1292521429.db2.gz FCTAHGCRFFAOKJ-UHFFFAOYSA-N 1 0 338.455 3.039 20 10 EGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828965087 1292522337 /nfs/dbraw/zinc/52/23/37/1292522337.db2.gz KRQHIUHJIHEMAS-AZUAARDMSA-N 1 0 332.488 3.269 20 10 EGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828987856 1292525205 /nfs/dbraw/zinc/52/52/05/1292525205.db2.gz MNRQTTDFTDZIDD-DNVCBOLYSA-N 1 0 329.488 3.071 20 10 EGCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000828982557 1292525801 /nfs/dbraw/zinc/52/58/01/1292525801.db2.gz HFCCHLJVQFACOE-LPHOPBHVSA-N 1 0 331.504 3.159 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)C[C@@H]3[C@@H](C)O)cc2)CC1 ZINC000829121736 1292543597 /nfs/dbraw/zinc/54/35/97/1292543597.db2.gz WAFSRTDHOUFULO-CSODHUTKSA-N 1 0 346.515 3.283 20 10 EGCDRO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)ccc1N1CCCCC1 ZINC000829146101 1292546932 /nfs/dbraw/zinc/54/69/32/1292546932.db2.gz IJEBUHBUSCTYIX-CMKODMSKSA-N 1 0 341.499 3.071 20 10 EGCDRO COCC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093103488 1292907048 /nfs/dbraw/zinc/90/70/48/1292907048.db2.gz VWDBHFOPNLLYJX-UHFFFAOYSA-N 1 0 344.249 3.022 20 10 EGCDRO Cc1nc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)sc1C ZINC000093688802 1292929141 /nfs/dbraw/zinc/92/91/41/1292929141.db2.gz GHZQBDNQOIRTTE-UHFFFAOYSA-N 1 0 330.501 3.148 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000093769207 1292930385 /nfs/dbraw/zinc/93/03/85/1292930385.db2.gz MQRIAGFDZFPCMJ-UHFFFAOYSA-N 1 0 344.499 3.448 20 10 EGCDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC000832249748 1292976666 /nfs/dbraw/zinc/97/66/66/1292976666.db2.gz CAUHEBSLDJCVGG-KRWDZBQOSA-N 1 0 325.456 3.145 20 10 EGCDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC000832249749 1292977361 /nfs/dbraw/zinc/97/73/61/1292977361.db2.gz CAUHEBSLDJCVGG-QGZVFWFLSA-N 1 0 325.456 3.145 20 10 EGCDRO Cc1ccc(CCCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832266487 1292977966 /nfs/dbraw/zinc/97/79/66/1292977966.db2.gz GPZRHVQGRKUESE-GOSISDBHSA-N 1 0 345.512 3.261 20 10 EGCDRO Cc1ccccc1[C@@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273277 1292979290 /nfs/dbraw/zinc/97/92/90/1292979290.db2.gz MOQQDUGFANYUDV-OXJNMPFZSA-N 1 0 339.483 3.371 20 10 EGCDRO Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1Cl ZINC000832284350 1292982160 /nfs/dbraw/zinc/98/21/60/1292982160.db2.gz JGHVNSCCEJEXOB-HNNXBMFYSA-N 1 0 349.837 3.283 20 10 EGCDRO CC[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000832284219 1292982206 /nfs/dbraw/zinc/98/22/06/1292982206.db2.gz IIIDXAOZPFAHMJ-MOPGFXCFSA-N 1 0 343.446 3.202 20 10 EGCDRO CSCc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832283962 1292982363 /nfs/dbraw/zinc/98/23/63/1292982363.db2.gz DQBFZMTWQVBKPR-GOSISDBHSA-N 1 0 343.496 3.045 20 10 EGCDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000832620115 1293026898 /nfs/dbraw/zinc/02/68/98/1293026898.db2.gz BBOXOMPLPMNPTM-LJQANCHMSA-N 1 0 332.488 3.303 20 10 EGCDRO Cn1cc(CCC[N@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000111232862 1293101575 /nfs/dbraw/zinc/10/15/75/1293101575.db2.gz GFBWDAPCLVVSPV-UHFFFAOYSA-N 1 0 325.412 3.354 20 10 EGCDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834878414 1293161551 /nfs/dbraw/zinc/16/15/51/1293161551.db2.gz COVCXBZPGTUTSQ-KGLIPLIRSA-N 1 0 340.895 3.377 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(N2CCOCC2)cc1Cl ZINC000834876554 1293161894 /nfs/dbraw/zinc/16/18/94/1293161894.db2.gz CMIQRXWPRXPIQP-LSDHHAIUSA-N 1 0 340.895 3.378 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)N1c2ccccc2C[C@H]1C ZINC000834903039 1293170347 /nfs/dbraw/zinc/17/03/47/1293170347.db2.gz HKHMGMHPYMJKFE-KEYYUXOJSA-N 1 0 336.435 3.335 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccccn3)n[nH]2)c2c1c(F)ccc2O ZINC000834904763 1293171229 /nfs/dbraw/zinc/17/12/29/1293171229.db2.gz PWDLCGABFCPPDV-GXFFZTMASA-N 1 0 339.374 3.050 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c2c1c(F)ccc2O ZINC000834910285 1293173956 /nfs/dbraw/zinc/17/39/56/1293173956.db2.gz CSDAVZZBGVBEOB-TWJWRFFLSA-N 1 0 345.418 3.323 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c(O)c1C ZINC000834910589 1293174341 /nfs/dbraw/zinc/17/43/41/1293174341.db2.gz FFQPFWJKRAGBFS-ZOBUZTSGSA-N 1 0 329.444 3.313 20 10 EGCDRO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)ccc2ccncc21 ZINC000834995785 1293183679 /nfs/dbraw/zinc/18/36/79/1293183679.db2.gz BLLKAMFMJJFVRB-UHFFFAOYSA-N 1 0 336.391 3.344 20 10 EGCDRO CON1CCC([N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000835076580 1293201670 /nfs/dbraw/zinc/20/16/70/1293201670.db2.gz RZPORDCTUCFUMG-UHFFFAOYSA-N 1 0 345.409 3.229 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000117947063 1293227073 /nfs/dbraw/zinc/22/70/73/1293227073.db2.gz YDVAGKPHOUKISC-UHFFFAOYSA-N 1 0 328.250 3.330 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000119493451 1293274176 /nfs/dbraw/zinc/27/41/76/1293274176.db2.gz SYZWSDYKMPULDE-CABCVRRESA-N 1 0 338.423 3.457 20 10 EGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121240974 1293360990 /nfs/dbraw/zinc/36/09/90/1293360990.db2.gz IDJUAMHXZADNNR-LLVKDONJSA-N 1 0 336.233 3.257 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000122307478 1293408235 /nfs/dbraw/zinc/40/82/35/1293408235.db2.gz LILRLDXEQSPJOJ-UHFFFAOYSA-N 1 0 338.451 3.403 20 10 EGCDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)c1 ZINC000124251423 1293471573 /nfs/dbraw/zinc/47/15/73/1293471573.db2.gz UGZCUQNCNGZZBF-INIZCTEOSA-N 1 0 327.380 3.467 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000126850282 1293546171 /nfs/dbraw/zinc/54/61/71/1293546171.db2.gz XDSBFHBDPPMEAF-MAUKXSAKSA-N 1 0 329.488 3.194 20 10 EGCDRO Cc1nc(CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000128380915 1293591478 /nfs/dbraw/zinc/59/14/78/1293591478.db2.gz DCWYLFOPDIIKDC-KRWDZBQOSA-N 1 0 332.469 3.381 20 10 EGCDRO CCn1cc([C@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000157414833 1294177915 /nfs/dbraw/zinc/17/79/15/1294177915.db2.gz NKNNHRPJWOYSAL-HNNXBMFYSA-N 1 0 328.460 3.231 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000157693569 1294184685 /nfs/dbraw/zinc/18/46/85/1294184685.db2.gz OWXNWXDSUURBQR-OAHLLOKOSA-N 1 0 331.847 3.311 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)c(O)cc1C ZINC000160483761 1294268673 /nfs/dbraw/zinc/26/86/73/1294268673.db2.gz PCTKTOZQXCNCBM-UHFFFAOYSA-N 1 0 347.484 3.105 20 10 EGCDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000161639692 1294296310 /nfs/dbraw/zinc/29/63/10/1294296310.db2.gz ZOHWOPKUPYQVIU-INIZCTEOSA-N 1 0 343.446 3.259 20 10 EGCDRO CCc1nsc(N2CCC[N@H+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164432429 1294347103 /nfs/dbraw/zinc/34/71/03/1294347103.db2.gz RHHWXTMBWFTAQW-UHFFFAOYSA-N 1 0 346.500 3.135 20 10 EGCDRO Cc1cc(C[NH+]2CCN(c3cnn(C)c3)CC2)c(O)c(C(C)(C)C)c1 ZINC000173902604 1294473549 /nfs/dbraw/zinc/47/35/49/1294473549.db2.gz VYEXQVGCVOCDSL-UHFFFAOYSA-N 1 0 342.487 3.054 20 10 EGCDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000177918820 1294702282 /nfs/dbraw/zinc/70/22/82/1294702282.db2.gz AWEIEPHVGZKTLH-CQSZACIVSA-N 1 0 346.393 3.143 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c1O ZINC000181098153 1294937219 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EGCDRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)c(C)n1-c1cccc(Cl)c1 ZINC000186371021 1295321364 /nfs/dbraw/zinc/32/13/64/1295321364.db2.gz XHBPZDAZHVOXPM-UHFFFAOYSA-N 1 0 343.858 3.397 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186780558 1295351312 /nfs/dbraw/zinc/35/13/12/1295351312.db2.gz FBCGWTQSRLLPAL-UHFFFAOYSA-N 1 0 331.485 3.322 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O ZINC000189628718 1295534863 /nfs/dbraw/zinc/53/48/63/1295534863.db2.gz XXZIKHHZKMJUPA-CZUORRHYSA-N 1 0 347.377 3.364 20 10 EGCDRO C[C@@](CO)([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000227212967 1296141608 /nfs/dbraw/zinc/14/16/08/1296141608.db2.gz RXHBBFMQNSLKID-INIZCTEOSA-N 1 0 336.229 3.152 20 10 EGCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000227440745 1296143780 /nfs/dbraw/zinc/14/37/80/1296143780.db2.gz GBRBTIAITHVOOE-UHFFFAOYSA-N 1 0 337.173 3.353 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237082198 1296219116 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EGCDRO Cc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)c(C)n1-c1ccccc1C ZINC000262189205 1296621715 /nfs/dbraw/zinc/62/17/15/1296621715.db2.gz ZPHJUYPAOVMZST-HXUWFJFHSA-N 1 0 325.456 3.213 20 10 EGCDRO O=C1CC2(CN1)CC[NH+](Cc1cc(-c3ccccc3)ccc1O)CC2 ZINC000271180087 1296706758 /nfs/dbraw/zinc/70/67/58/1296706758.db2.gz KZBCDZRJKQRAJN-UHFFFAOYSA-N 1 0 336.435 3.161 20 10 EGCDRO C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCCN1C(=O)OC(C)(C)C ZINC000301905153 1296795418 /nfs/dbraw/zinc/79/54/18/1296795418.db2.gz MZXVVJLAULRBCJ-WMLDXEAASA-N 1 0 346.471 3.499 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C1CCOCC1 ZINC000873067946 1297258598 /nfs/dbraw/zinc/25/85/98/1297258598.db2.gz WOVCUOHXIHBGEL-IBGZPJMESA-N 1 0 343.471 3.235 20 10 EGCDRO COCCC(C)(C)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873105417 1297274711 /nfs/dbraw/zinc/27/47/11/1297274711.db2.gz VOYXEPUHAKHLDH-UHFFFAOYSA-N 1 0 331.460 3.092 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000398144242 1297715999 /nfs/dbraw/zinc/71/59/99/1297715999.db2.gz NJHLYWUHULYRPF-DNVCBOLYSA-N 1 0 338.455 3.301 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686216100 1298114819 /nfs/dbraw/zinc/11/48/19/1298114819.db2.gz ZPXUWVLICMNGRS-AWEZNQCLSA-N 1 0 333.476 3.098 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1C ZINC000686275121 1298116075 /nfs/dbraw/zinc/11/60/75/1298116075.db2.gz GPPWDQYQEKDSJU-CQSZACIVSA-N 1 0 334.460 3.349 20 10 EGCDRO CC[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000702555050 1298195724 /nfs/dbraw/zinc/19/57/24/1298195724.db2.gz YKBLNBXNRJWGPE-TZIWHRDSSA-N 1 0 340.467 3.070 20 10 EGCDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2c(O)cccc2Br)C1 ZINC000706804762 1298223801 /nfs/dbraw/zinc/22/38/01/1298223801.db2.gz QAJAYWIYPUDQQX-LLVKDONJSA-N 1 0 327.266 3.117 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000875478155 1298355174 /nfs/dbraw/zinc/35/51/74/1298355174.db2.gz WPOJXLAFTLCZEP-HZPDHXFCSA-N 1 0 345.487 3.153 20 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/nfs/dbraw/zinc/94/65/17/1298946517.db2.gz TXVKHLXFGJRPRP-HOCLYGCPSA-N 1 0 334.460 3.436 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000876767600 1298971035 /nfs/dbraw/zinc/97/10/35/1298971035.db2.gz NBNVEQWAXFKEHG-UHFFFAOYSA-N 1 0 344.499 3.183 20 10 EGCDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1)CC(F)(F)F ZINC000876782665 1298981782 /nfs/dbraw/zinc/98/17/82/1298981782.db2.gz RLNAIQFSGGOJMG-AWEZNQCLSA-N 1 0 330.394 3.407 20 10 EGCDRO Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2C)c(O)c1 ZINC000876818675 1299011687 /nfs/dbraw/zinc/01/16/87/1299011687.db2.gz WXBZVLNCGVASLB-UHFFFAOYSA-N 1 0 325.456 3.373 20 10 EGCDRO Cc1cccc(O)c1CNc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000876824235 1299016535 /nfs/dbraw/zinc/01/65/35/1299016535.db2.gz YMVJIGCTZYXDBB-UHFFFAOYSA-N 1 0 325.456 3.060 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000876926425 1299070184 /nfs/dbraw/zinc/07/01/84/1299070184.db2.gz UVOCYSMGHXHRET-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2c(C)cccc2O)C1 ZINC000876999349 1299108741 /nfs/dbraw/zinc/10/87/41/1299108741.db2.gz SVPJJPPIMJQZTA-INIZCTEOSA-N 1 0 326.440 3.325 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nccs1 ZINC000877053672 1299134144 /nfs/dbraw/zinc/13/41/44/1299134144.db2.gz VVWHPEDNPDXDSZ-KRWDZBQOSA-N 1 0 331.485 3.345 20 10 EGCDRO Cc1cccc(F)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877069293 1299144054 /nfs/dbraw/zinc/14/40/54/1299144054.db2.gz ZSINXCHNRAYFBD-UHFFFAOYSA-N 1 0 328.431 3.385 20 10 EGCDRO COCCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877086027 1299152085 /nfs/dbraw/zinc/15/20/85/1299152085.db2.gz LWICLHQNJABQEO-UHFFFAOYSA-N 1 0 346.515 3.334 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3[C@@H]4c5ccccc5C[C@H]34)cc2)CC1 ZINC000877089092 1299153705 /nfs/dbraw/zinc/15/37/05/1299153705.db2.gz LMEVTCBLHYIWRP-DNVJHFABSA-N 1 0 348.490 3.323 20 10 EGCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877134281 1299173433 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CC(C)(O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000877752796 1299526847 /nfs/dbraw/zinc/52/68/47/1299526847.db2.gz VSXJEQYLCDUHBE-UHFFFAOYSA-N 1 0 328.250 3.138 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CCC(C(C)(C)O)CC2)c1O ZINC000877754027 1299529650 /nfs/dbraw/zinc/52/96/50/1299529650.db2.gz RKTLWZJZGBFZMY-UHFFFAOYSA-N 1 0 342.277 3.446 20 10 EGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCO1 ZINC000753660230 1300001892 /nfs/dbraw/zinc/00/18/92/1300001892.db2.gz ZHWNZQAXLDCVHX-GUYCJALGSA-N 1 0 340.414 3.414 20 10 EGCDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000754130836 1300095254 /nfs/dbraw/zinc/09/52/54/1300095254.db2.gz RXTHCWIPBDICBW-TZMCWYRMSA-N 1 0 328.378 3.288 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000754354562 1300129072 /nfs/dbraw/zinc/12/90/72/1300129072.db2.gz NVZPGXREBCBHBR-MRXNPFEDSA-N 1 0 348.535 3.308 20 10 EGCDRO COC(=O)[C@H](C)C[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC000754730003 1300201851 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20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccccc2)c2c1c(F)ccc2O ZINC000756455582 1300496506 /nfs/dbraw/zinc/49/65/06/1300496506.db2.gz KINBHMGRJQXRRJ-IUODEOHRSA-N 1 0 349.427 3.143 20 10 EGCDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000756477599 1300501184 /nfs/dbraw/zinc/50/11/84/1300501184.db2.gz BSMLTEFQFKPSJI-NSHDSACASA-N 1 0 336.794 3.265 20 10 EGCDRO C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756482872 1300503386 /nfs/dbraw/zinc/50/33/86/1300503386.db2.gz JQEKBSHVIDJVAQ-HZSPNIEDSA-N 1 0 342.430 3.210 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)c(O)c1C ZINC000756508894 1300510806 /nfs/dbraw/zinc/51/08/06/1300510806.db2.gz JPQCMPNCLPGODA-MRXNPFEDSA-N 1 0 326.440 3.366 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1O ZINC000756544676 1300518959 /nfs/dbraw/zinc/51/89/59/1300518959.db2.gz LFIXQKBUGIWZSX-JQWIXIFHSA-N 1 0 325.250 3.042 20 10 EGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc2c(cc1O)CCCC2 ZINC000756661303 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3.000 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765788039 1302326338 /nfs/dbraw/zinc/32/63/38/1302326338.db2.gz IBPMYFBMSMACHY-RBUKOAKNSA-N 1 0 345.531 3.438 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)(F)F ZINC000765786771 1302326832 /nfs/dbraw/zinc/32/68/32/1302326832.db2.gz IQGCNKFAFKOLME-CVEARBPZSA-N 1 0 330.394 3.468 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000766029346 1302372246 /nfs/dbraw/zinc/37/22/46/1302372246.db2.gz JHTFLLMNYZEDRX-HNNXBMFYSA-N 1 0 337.467 3.431 20 10 EGCDRO CCN1C[C@@H](C[N@H+](C)Cc2c(O)cccc2OC)Oc2ccccc21 ZINC000768214094 1302857174 /nfs/dbraw/zinc/85/71/74/1302857174.db2.gz ZOPVDCMWSPRBBK-OAHLLOKOSA-N 1 0 342.439 3.120 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000768245399 1302863260 /nfs/dbraw/zinc/86/32/60/1302863260.db2.gz RRWIEHYMAUTTKL-UHFFFAOYSA-N 1 0 346.858 3.372 20 10 EGCDRO CN(C)c1ccc(CN(C)CC(=O)N(C)C2CCCCC2)cc1F ZINC000768303396 1302875183 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20 10 EGCDRO COc1cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c(O)cc1C ZINC000768444761 1302907621 /nfs/dbraw/zinc/90/76/21/1302907621.db2.gz OESNGNPERVIETN-FQEVSTJZSA-N 1 0 327.424 3.455 20 10 EGCDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445674 1302907670 /nfs/dbraw/zinc/90/76/70/1302907670.db2.gz GMNICPZNLCFYDB-FXAWDEMLSA-N 1 0 339.435 3.334 20 10 EGCDRO COc1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(O)cc1C ZINC000768451013 1302909577 /nfs/dbraw/zinc/90/95/77/1302909577.db2.gz LIQXOWIHJFHKMX-UHFFFAOYSA-N 1 0 335.444 3.263 20 10 EGCDRO CC[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000768521228 1302922622 /nfs/dbraw/zinc/92/26/22/1302922622.db2.gz NZJZNABBLSHLLX-KRWDZBQOSA-N 1 0 347.459 3.444 20 10 EGCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000769216263 1303074435 /nfs/dbraw/zinc/07/44/35/1303074435.db2.gz GUSFGXHDXTVDEL-QGZVFWFLSA-N 1 0 349.494 3.410 20 10 EGCDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769339376 1303095628 /nfs/dbraw/zinc/09/56/28/1303095628.db2.gz WFTQHQVKZLEXRJ-UHFFFAOYSA-N 1 0 349.475 3.426 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c1O ZINC000769425141 1303111217 /nfs/dbraw/zinc/11/12/17/1303111217.db2.gz LZQHYNPMTIATGL-UHFFFAOYSA-N 1 0 348.393 3.391 20 10 EGCDRO CCN(C[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1)CC(F)(F)F ZINC000769517192 1303133714 /nfs/dbraw/zinc/13/37/14/1303133714.db2.gz ZWCFMIDFIAGNEU-CYBMUJFWSA-N 1 0 346.393 3.107 20 10 EGCDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769875467 1303186115 /nfs/dbraw/zinc/18/61/15/1303186115.db2.gz PPRDXXKFGUIQMW-CYBMUJFWSA-N 1 0 347.434 3.372 20 10 EGCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000770383581 1303258516 /nfs/dbraw/zinc/25/85/16/1303258516.db2.gz PQZSXBVCERAPSP-OAHLLOKOSA-N 1 0 335.444 3.346 20 10 EGCDRO COc1ccc(Cl)cc1CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000770509261 1303279264 /nfs/dbraw/zinc/27/92/64/1303279264.db2.gz JUPIOMMBETWHSI-UHFFFAOYSA-N 1 0 346.858 3.372 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CC12CCC2 ZINC000771067584 1303355902 /nfs/dbraw/zinc/35/59/02/1303355902.db2.gz UPPLAMNDZKFVBL-HZPDHXFCSA-N 1 0 348.874 3.316 20 10 EGCDRO CC(C)(CCCO)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000771898011 1303457183 /nfs/dbraw/zinc/45/71/83/1303457183.db2.gz KWKDMSPWNOCKLK-UHFFFAOYSA-N 1 0 349.475 3.473 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC000771935577 1303463402 /nfs/dbraw/zinc/46/34/02/1303463402.db2.gz YHXOGYPJJBVIHE-IBGZPJMESA-N 1 0 326.440 3.280 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccc(N2CCCCC2)cc1 ZINC000886666625 1303546028 /nfs/dbraw/zinc/54/60/28/1303546028.db2.gz WRQDLOIQYGJJPT-QRFRQXIXSA-N 1 0 332.488 3.258 20 10 EGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@@H]1C ZINC000886749670 1303583315 /nfs/dbraw/zinc/58/33/15/1303583315.db2.gz ZRQJKLZPOGYGID-QINHECLXSA-N 1 0 343.515 3.303 20 10 EGCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749038 1303583525 /nfs/dbraw/zinc/58/35/25/1303583525.db2.gz HIQPFMGHJBFLEZ-HNNXBMFYSA-N 1 0 331.504 3.303 20 10 EGCDRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773061515 1303616790 /nfs/dbraw/zinc/61/67/90/1303616790.db2.gz ZGWGOZCKCNFVPN-OAHLLOKOSA-N 1 0 344.455 3.499 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](CC(N)=O)[C@H](C)c2ccccc2)cc1 ZINC000773776609 1303738723 /nfs/dbraw/zinc/73/87/23/1303738723.db2.gz ODQBURGGDSHPJZ-MRXNPFEDSA-N 1 0 325.456 3.191 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000773887931 1303751463 /nfs/dbraw/zinc/75/14/63/1303751463.db2.gz JTMYTCHWJSAXCN-GDBMZVCRSA-N 1 0 330.394 3.278 20 10 EGCDRO C[C@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774482743 1303815139 /nfs/dbraw/zinc/81/51/39/1303815139.db2.gz MJWOABZZPWLFST-UGSOOPFHSA-N 1 0 345.874 3.153 20 10 EGCDRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774486132 1303816344 /nfs/dbraw/zinc/81/63/44/1303816344.db2.gz WAUODIRBGJHGNA-GJZGRUSLSA-N 1 0 343.475 3.208 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nc3ccccc3n2C)c1 ZINC000775370483 1303948825 /nfs/dbraw/zinc/94/88/25/1303948825.db2.gz NPVHILRMJFRRCC-ZDUSSCGKSA-N 1 0 325.412 3.181 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000775539467 1303980942 /nfs/dbraw/zinc/98/09/42/1303980942.db2.gz DOKJUMZZYLSYQC-DZGCQCFKSA-N 1 0 341.835 3.008 20 10 EGCDRO COc1ccc(OC2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC000775650826 1304005217 /nfs/dbraw/zinc/00/52/17/1304005217.db2.gz WTNPLXUSHCXIQL-UHFFFAOYSA-N 1 0 343.423 3.453 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c1O ZINC000775662243 1304008198 /nfs/dbraw/zinc/00/81/98/1304008198.db2.gz SHWGATKWQRUWRP-UHFFFAOYSA-N 1 0 330.472 3.362 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000775830652 1304045172 /nfs/dbraw/zinc/04/51/72/1304045172.db2.gz MFTYHGSVADRSTD-CABCVRRESA-N 1 0 329.488 3.193 20 10 EGCDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833520 1304047102 /nfs/dbraw/zinc/04/71/02/1304047102.db2.gz KJXHAEWQAIXILR-XLIONFOSSA-N 1 0 342.483 3.460 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccc(N(C)C)cc1 ZINC000775835745 1304047891 /nfs/dbraw/zinc/04/78/91/1304047891.db2.gz IXUVGOCNFGCLEQ-RHSMWYFYSA-N 1 0 334.485 3.042 20 10 EGCDRO Cc1cccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c1O ZINC000775840233 1304049011 /nfs/dbraw/zinc/04/90/11/1304049011.db2.gz NNUVJMRWNAALAI-UHFFFAOYSA-N 1 0 333.815 3.458 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1O)C(F)(F)F ZINC000776174300 1304107256 /nfs/dbraw/zinc/10/72/56/1304107256.db2.gz LWMIVDAJGSYJMG-JTQLQIEISA-N 1 0 342.155 3.130 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000776809809 1304203425 /nfs/dbraw/zinc/20/34/25/1304203425.db2.gz BWOQQHZIPAZDAA-WBVHZDCISA-N 1 0 334.460 3.350 20 10 EGCDRO CCOc1ccc(CN(CCc2ccccc2)CC(=O)OC)c(O)c1 ZINC000777444831 1304297527 /nfs/dbraw/zinc/29/75/27/1304297527.db2.gz ZCWRSPOJHWKXBC-UHFFFAOYSA-N 1 0 343.423 3.009 20 10 EGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000778995601 1304516091 /nfs/dbraw/zinc/51/60/91/1304516091.db2.gz ZTLDFWQLBADJGE-UHFFFAOYSA-N 1 0 332.394 3.378 20 10 EGCDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779003203 1304517121 /nfs/dbraw/zinc/51/71/21/1304517121.db2.gz QUFQEKZDXUPYOF-HNNXBMFYSA-N 1 0 338.423 3.363 20 10 EGCDRO C[C@@H](CCCCO)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000779047409 1304522649 /nfs/dbraw/zinc/52/26/49/1304522649.db2.gz LNPLRSRHPMRFTD-AWEZNQCLSA-N 1 0 342.430 3.398 20 10 EGCDRO OCC[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1Br ZINC000781638542 1304852083 /nfs/dbraw/zinc/85/20/83/1304852083.db2.gz JELSOHHQAAXJPG-OAHLLOKOSA-N 1 0 336.229 3.368 20 10 EGCDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000781927124 1304891962 /nfs/dbraw/zinc/89/19/62/1304891962.db2.gz UMBQQCCFIKZILN-VQIMIIECSA-N 1 0 331.504 3.222 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC23CCCC3)[NH+](C)C)cc1 ZINC000891252656 1305000726 /nfs/dbraw/zinc/00/07/26/1305000726.db2.gz LWNGBFWGZCFWSE-MSOLQXFVSA-N 1 0 329.488 3.052 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000891468567 1305059311 /nfs/dbraw/zinc/05/93/11/1305059311.db2.gz BIFPYRBMLRZKFE-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000783221020 1305064572 /nfs/dbraw/zinc/06/45/72/1305064572.db2.gz DWIVWDRKJAHBAG-BLLLJJGKSA-N 1 0 328.378 3.430 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cnn(C)c3C3CC3)CC2)cc1 ZINC000891774993 1305161673 /nfs/dbraw/zinc/16/16/73/1305161673.db2.gz ICBRNPYLULMGCC-UHFFFAOYSA-N 1 0 340.471 3.018 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c1O ZINC000784013837 1305176504 /nfs/dbraw/zinc/17/65/04/1305176504.db2.gz NXTAUESLPBJWFQ-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO CC(C)[C@@H](F)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000784442007 1305245271 /nfs/dbraw/zinc/24/52/71/1305245271.db2.gz KOKJKSSPRLGQKX-GOEBONIOSA-N 1 0 342.842 3.120 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c(O)c1 ZINC000784675979 1305271109 /nfs/dbraw/zinc/27/11/09/1305271109.db2.gz PTPCAFKVTYAFSG-UHFFFAOYSA-N 1 0 345.418 3.037 20 10 EGCDRO CCC(=O)Nc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892607853 1305468219 /nfs/dbraw/zinc/46/82/19/1305468219.db2.gz MTYBGUBTTNQALD-UHFFFAOYSA-N 1 0 344.411 3.048 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)COc2ccc(C)cc2)c(O)c1OC ZINC000892730292 1305526081 /nfs/dbraw/zinc/52/60/81/1305526081.db2.gz GYGCJWXVPZLGJF-CQSZACIVSA-N 1 0 331.412 3.275 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(N2CCNC2=O)cc1 ZINC000786821993 1305636338 /nfs/dbraw/zinc/63/63/38/1305636338.db2.gz RPZDJDRSQGUAGM-AWEZNQCLSA-N 1 0 337.423 3.002 20 10 EGCDRO CCn1cccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c1=O ZINC000788604791 1305981103 /nfs/dbraw/zinc/98/11/03/1305981103.db2.gz LKLIDELLVCYEHY-AWEZNQCLSA-N 1 0 326.440 3.303 20 10 EGCDRO CCOc1ccc(C[N@H+](C)[C@@H](COC)Cc2ccccc2)c(O)c1 ZINC000789586810 1306188896 /nfs/dbraw/zinc/18/88/96/1306188896.db2.gz QDGRPQXRUJXYQE-GOSISDBHSA-N 1 0 329.440 3.480 20 10 EGCDRO C[C@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000790526179 1306345112 /nfs/dbraw/zinc/34/51/12/1306345112.db2.gz XACUCCJGKRHPMQ-YJBOKZPZSA-N 1 0 346.519 3.233 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c1O ZINC000894354294 1306356557 /nfs/dbraw/zinc/35/65/57/1306356557.db2.gz KGRBJBVOFHVGMQ-IBGZPJMESA-N 1 0 327.424 3.313 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)c1O ZINC000894370892 1306362817 /nfs/dbraw/zinc/36/28/17/1306362817.db2.gz QVSNFAJIGQGFRJ-SUMWQHHRSA-N 1 0 333.403 3.450 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c1O ZINC000894458408 1308900848 /nfs/dbraw/zinc/90/08/48/1308900848.db2.gz QOIZAODVGOBCSV-UHFFFAOYSA-N 1 0 332.347 3.252 20 10 EGCDRO CCCNC(=O)C1([NH2+]Cc2cc(C)cc(OC)c2O)CCCCC1 ZINC000894468391 1308906317 /nfs/dbraw/zinc/90/63/17/1308906317.db2.gz UTMISGAHVGROKE-UHFFFAOYSA-N 1 0 334.460 3.028 20 10 EGCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000894854559 1309102362 /nfs/dbraw/zinc/10/23/62/1309102362.db2.gz GOMSFXAWYWHGHJ-ZDUSSCGKSA-N 1 0 344.224 3.173 20 10 EGCDRO COC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC(C)CC1 ZINC000793291099 1309339799 /nfs/dbraw/zinc/33/97/99/1309339799.db2.gz LMSAMHIRJIEZSB-UHFFFAOYSA-N 1 0 332.488 3.208 20 10 EGCDRO Fc1ccccc1CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000793347768 1309350295 /nfs/dbraw/zinc/35/02/95/1309350295.db2.gz QWKBFMSATBUDLS-UHFFFAOYSA-N 1 0 328.431 3.385 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1O ZINC000895474153 1309356561 /nfs/dbraw/zinc/35/65/61/1309356561.db2.gz VTVLZPMCPOJASB-MRXNPFEDSA-N 1 0 335.831 3.056 20 10 EGCDRO COc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c(O)c1 ZINC000793387600 1309362377 /nfs/dbraw/zinc/36/23/77/1309362377.db2.gz IIFVXSKVSMBYGP-UHFFFAOYSA-N 1 0 330.403 3.430 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2)c(O)c1 ZINC000793388507 1309362441 /nfs/dbraw/zinc/36/24/41/1309362441.db2.gz PEZXWSBNIZJMOR-AWEZNQCLSA-N 1 0 328.412 3.216 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1O ZINC000895705427 1309476101 /nfs/dbraw/zinc/47/61/01/1309476101.db2.gz ACGFFCJHHJDWDE-SFHVURJKSA-N 1 0 337.423 3.437 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C)cc1O ZINC000794813303 1309600234 /nfs/dbraw/zinc/60/02/34/1309600234.db2.gz CALJPXLNUBHATM-FMKPAKJESA-N 1 0 325.474 3.097 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(C)cc1O ZINC000794814587 1309600602 /nfs/dbraw/zinc/60/06/02/1309600602.db2.gz MIPWPRBCTIVFRD-AWEZNQCLSA-N 1 0 339.482 3.407 20 10 EGCDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1cc(Br)ccc1O ZINC000794837726 1309604658 /nfs/dbraw/zinc/60/46/58/1309604658.db2.gz YXBYKDAFOXTDGW-GFCCVEGCSA-N 1 0 325.250 3.067 20 10 EGCDRO Cc1nc(CC2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC000896551463 1309912328 /nfs/dbraw/zinc/91/23/28/1309912328.db2.gz NXEWUOSTEZBQQG-UHFFFAOYSA-N 1 0 332.423 3.038 20 10 EGCDRO O=C1NCCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796264278 1309946748 /nfs/dbraw/zinc/94/67/48/1309946748.db2.gz MLSXCSJUELPWOI-HXUWFJFHSA-N 1 0 349.478 3.008 20 10 EGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000796772110 1310083519 /nfs/dbraw/zinc/08/35/19/1310083519.db2.gz PRXGNMUYVNAHAQ-LLVKDONJSA-N 1 0 349.481 3.307 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1C ZINC000797041729 1310131392 /nfs/dbraw/zinc/13/13/92/1310131392.db2.gz UNBNHAWHTDGLJF-SJORKVTESA-N 1 0 345.487 3.340 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000797530631 1310209897 /nfs/dbraw/zinc/20/98/97/1310209897.db2.gz WBWCIEXSPZRPJN-SFHVURJKSA-N 1 0 337.467 3.238 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cnn(CC3CCC3)c2)c1O ZINC000897431151 1310335901 /nfs/dbraw/zinc/33/59/01/1310335901.db2.gz AQQHVAGYTXZCEL-UHFFFAOYSA-N 1 0 335.835 3.341 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCOCC1 ZINC000897442280 1310338892 /nfs/dbraw/zinc/33/88/92/1310338892.db2.gz SSHKVMFJBINOBW-UHFFFAOYSA-N 1 0 346.515 3.190 20 10 EGCDRO Cc1[nH+]ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1Cl ZINC000798390060 1310352618 /nfs/dbraw/zinc/35/26/18/1310352618.db2.gz KRZYNUKFBDBJEQ-ZDUSSCGKSA-N 1 0 331.847 3.475 20 10 EGCDRO CN(C)c1ccc([C@H](CNc2ncc(C(F)F)cn2)[NH+](C)C)cc1 ZINC000897521969 1310360113 /nfs/dbraw/zinc/36/01/13/1310360113.db2.gz JVKYTTWCEJRPKF-HNNXBMFYSA-N 1 0 335.402 3.195 20 10 EGCDRO COC[C@]1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCC[NH2+]1 ZINC000817975848 1319484494 /nfs/dbraw/zinc/48/44/94/1319484494.db2.gz YHXUBPNYJJLOMQ-MEBBXXQBSA-N 1 0 333.259 3.118 20 10 EGCDRO C[C@]12C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000897612397 1310408345 /nfs/dbraw/zinc/40/83/45/1310408345.db2.gz XKVGXHXIERZBRF-GKJHBJHPSA-N 1 0 338.495 3.292 20 10 EGCDRO Oc1cccc(Br)c1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897978866 1310538108 /nfs/dbraw/zinc/53/81/08/1310538108.db2.gz VKKMUYKODOESSZ-UHFFFAOYSA-N 1 0 339.277 3.261 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c1O ZINC000799738185 1310608870 /nfs/dbraw/zinc/60/88/70/1310608870.db2.gz SZWYSXGQGIZUEJ-GXFFZTMASA-N 1 0 344.249 3.163 20 10 EGCDRO Clc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000800288543 1310722399 /nfs/dbraw/zinc/72/23/99/1310722399.db2.gz RXUTUFNVFGWAJX-LJQANCHMSA-N 1 0 342.870 3.434 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)N(C)C)cc1 ZINC000898450679 1310741747 /nfs/dbraw/zinc/74/17/47/1310741747.db2.gz CLWGMYPLMKJLJD-HXUWFJFHSA-N 1 0 337.471 3.021 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1O ZINC000800865614 1310821486 /nfs/dbraw/zinc/82/14/86/1310821486.db2.gz GUAUCSTZZZXKDS-UHFFFAOYSA-N 1 0 330.384 3.292 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC000801574749 1310967311 /nfs/dbraw/zinc/96/73/11/1310967311.db2.gz XREANXMQXUTRCQ-FQEVSTJZSA-N 1 0 347.503 3.489 20 10 EGCDRO CCCN(Cc1cc(C(F)(F)F)nn1C)c1ccc(C[NH3+])cc1 ZINC000825710235 1320357523 /nfs/dbraw/zinc/35/75/23/1320357523.db2.gz JGWBUKWSLYRMMO-UHFFFAOYSA-N 1 0 326.366 3.314 20 10 EGCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825731000 1320359065 /nfs/dbraw/zinc/35/90/65/1320359065.db2.gz BQIQIDVSAGLYJF-FZMZJTMJSA-N 1 0 328.250 3.280 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000827602400 1320462283 /nfs/dbraw/zinc/46/22/83/1320462283.db2.gz ONOAJROOQKKMIZ-MOPGFXCFSA-N 1 0 339.435 3.440 20 10 EGCDRO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000857758811 1328594943 /nfs/dbraw/zinc/59/49/43/1328594943.db2.gz SPIHAOXSWRKUTD-SJORKVTESA-N 1 0 331.504 3.412 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCC(F)CC3)C2)cc1C ZINC001019334395 1317174084 /nfs/dbraw/zinc/17/40/84/1317174084.db2.gz PGUJQQILOUNTFK-ABHNRTSZSA-N 1 0 348.462 3.222 20 10 EGCDRO COc1ccc(CNCc2cc(F)c(N(C)C)cc2F)c(OC)c1 ZINC000858100595 1328681504 /nfs/dbraw/zinc/68/15/04/1328681504.db2.gz LBUNKHZHZPAVTI-UHFFFAOYSA-N 1 0 336.382 3.338 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@@H](CNCc2c(O)cccc2Br)C1 ZINC000858127445 1328689657 /nfs/dbraw/zinc/68/96/57/1328689657.db2.gz FMVIRXWMEQYBOF-ZDUSSCGKSA-N 1 0 341.293 3.365 20 10 EGCDRO FC(F)(F)[C@H]1C[C@@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000806140002 1317464321 /nfs/dbraw/zinc/46/43/21/1317464321.db2.gz FLEZKCDYQHNKTK-VHSXEESVSA-N 1 0 326.409 3.325 20 10 EGCDRO CCC[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)OCC ZINC000858209978 1328712046 /nfs/dbraw/zinc/71/20/46/1328712046.db2.gz DQJFODNSOTXPJQ-CYBMUJFWSA-N 1 0 346.265 3.458 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(O)c1 ZINC000903447822 1317701429 /nfs/dbraw/zinc/70/14/29/1317701429.db2.gz CVUPLXUMOKEPID-QRWLVFNGSA-N 1 0 327.472 3.412 20 10 EGCDRO COc1ccnc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903448089 1317702322 /nfs/dbraw/zinc/70/23/22/1317702322.db2.gz JLKUYBRBOIQICF-QRWLVFNGSA-N 1 0 342.487 3.110 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1O ZINC000808672708 1317711945 /nfs/dbraw/zinc/71/19/45/1317711945.db2.gz RPCXYXZLSAEEAJ-CYBMUJFWSA-N 1 0 326.868 3.115 20 10 EGCDRO 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RMYLZRBDPHWTKG-UHFFFAOYSA-N 1 0 335.787 3.131 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccc(C(F)(F)F)cc1O ZINC000810216002 1317977136 /nfs/dbraw/zinc/97/71/36/1317977136.db2.gz BLEQCHCPMQNJAL-DZGCQCFKSA-N 1 0 346.393 3.172 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810226840 1317980480 /nfs/dbraw/zinc/98/04/80/1317980480.db2.gz MOUYBJJYEWQHAV-GDBMZVCRSA-N 1 0 347.377 3.239 20 10 EGCDRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810240972 1317984002 /nfs/dbraw/zinc/98/40/02/1317984002.db2.gz JVKKRECCJYBQOG-VERVWZFWSA-N 1 0 335.391 3.363 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1ncnn1C)c1ccc(C(F)(F)F)cc1O ZINC000810239505 1317984085 /nfs/dbraw/zinc/98/40/85/1317984085.db2.gz VQXFDMAMBFBZBT-SKDRFNHKSA-N 1 0 328.338 3.341 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000810242229 1317984516 /nfs/dbraw/zinc/98/45/16/1317984516.db2.gz NMHZCEOGTPVXEQ-CQSZACIVSA-N 1 0 338.451 3.150 20 10 EGCDRO 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EGCDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1ccc2ccccc2c1O ZINC000816527329 1319176034 /nfs/dbraw/zinc/17/60/34/1319176034.db2.gz FPVNDABFIDMIBJ-UHFFFAOYSA-N 1 0 349.434 3.318 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000816536120 1319177154 /nfs/dbraw/zinc/17/71/54/1319177154.db2.gz MKDGAMFBZVNYLU-UHFFFAOYSA-N 1 0 339.439 3.268 20 10 EGCDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816566448 1319185009 /nfs/dbraw/zinc/18/50/09/1319185009.db2.gz VMRWGTIEEYXGNL-UHFFFAOYSA-N 1 0 326.440 3.236 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C3CC3)C3CC3)C2)cc1C ZINC001022952973 1319185681 /nfs/dbraw/zinc/18/56/81/1319185681.db2.gz AZGPVUFBEHTORN-HDICACEKSA-N 1 0 342.483 3.177 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@]2(CCCOC2)O1 ZINC000816597967 1319190672 /nfs/dbraw/zinc/19/06/72/1319190672.db2.gz LUVMPHIREVGNJZ-MGPUTAFESA-N 1 0 327.424 3.315 20 10 EGCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816612724 1319193634 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EGCDRO COc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1 ZINC000817938176 1319467324 /nfs/dbraw/zinc/46/73/24/1319467324.db2.gz GHVHPRIBIBTUCW-BFUOFWGJSA-N 1 0 331.435 3.251 20 10 EGCDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817941366 1319469893 /nfs/dbraw/zinc/46/98/93/1319469893.db2.gz JMESZQMERRKEHE-VLIAUNLRSA-N 1 0 340.471 3.062 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C12CCCC2 ZINC000817941408 1319469955 /nfs/dbraw/zinc/46/99/55/1319469955.db2.gz JREPORAIAJJEFE-GUDVDZBRSA-N 1 0 331.504 3.080 20 10 EGCDRO Cc1c([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942841 1319470728 /nfs/dbraw/zinc/47/07/28/1319470728.db2.gz RFQPTFLLROHOTK-IFXJQAMLSA-N 1 0 329.492 3.189 20 10 EGCDRO COC[C@@]1(CN[C@H](C)c2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000817972988 1319482667 /nfs/dbraw/zinc/48/26/67/1319482667.db2.gz AQSAQSRGFQCLSG-XLIONFOSSA-N 1 0 331.504 3.096 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cncn3C(C)C)C2)cc1 ZINC000818222479 1319522594 /nfs/dbraw/zinc/52/25/94/1319522594.db2.gz UDADRDCZYSVWRC-INIZCTEOSA-N 1 0 328.460 3.089 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(F)ccc3OC)C2)cc1 ZINC000818222846 1319522905 /nfs/dbraw/zinc/52/29/05/1319522905.db2.gz XEVGKWJMXYUVSJ-HNNXBMFYSA-N 1 0 344.430 3.459 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCNC(=O)CCCc2ccccc2)cc1C ZINC000818225174 1319522913 /nfs/dbraw/zinc/52/29/13/1319522913.db2.gz OZWZWTTYQRZFKZ-UHFFFAOYSA-N 1 0 340.467 3.238 20 10 EGCDRO COC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000818343122 1319532429 /nfs/dbraw/zinc/53/24/29/1319532429.db2.gz YEIBOOGONIRRFL-UZLBHIALSA-N 1 0 332.488 3.316 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CC3CCOCC3)C2)cc1 ZINC000818345986 1319533478 /nfs/dbraw/zinc/53/34/78/1319533478.db2.gz ZFBGSPGMOBYELM-SJLPKXTDSA-N 1 0 332.488 3.316 20 10 EGCDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)c1 ZINC000917485876 1319821303 /nfs/dbraw/zinc/82/13/03/1319821303.db2.gz JSSSYIYNPSLLLN-INIZCTEOSA-N 1 0 341.407 3.337 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000820503024 1319900907 /nfs/dbraw/zinc/90/09/07/1319900907.db2.gz DQECICIGNSYLJS-GJZGRUSLSA-N 1 0 331.485 3.320 20 10 EGCDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000822129958 1320056664 /nfs/dbraw/zinc/05/66/64/1320056664.db2.gz YWGDLQKQESDBLH-ZDUSSCGKSA-N 1 0 327.266 3.117 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(F)ccc(O)c3F)C2)cc1 ZINC000822494720 1320088454 /nfs/dbraw/zinc/08/84/54/1320088454.db2.gz UXYDTJFUGJLLFV-ZDUSSCGKSA-N 1 0 348.393 3.295 20 10 EGCDRO CCOC(=O)CN(CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1O ZINC000823575770 1320187828 /nfs/dbraw/zinc/18/78/28/1320187828.db2.gz BEZMMVKARVJGHK-CYBMUJFWSA-N 1 0 346.254 3.341 20 10 EGCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@]1(C)CC1(Cl)Cl ZINC000823576154 1320187954 /nfs/dbraw/zinc/18/79/54/1320187954.db2.gz IMYMKBVNBMRGJO-OAHLLOKOSA-N 1 0 346.254 3.341 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC[S@@](C)=O)cc1 ZINC000823914239 1320215877 /nfs/dbraw/zinc/21/58/77/1320215877.db2.gz BWCNLOACRYGZAE-JOCHJYFZSA-N 1 0 336.526 3.243 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000824589208 1320267975 /nfs/dbraw/zinc/26/79/75/1320267975.db2.gz CGYOPAOXDYKWLV-UHFFFAOYSA-N 1 0 326.318 3.495 20 10 EGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1Cl ZINC000824862045 1320292662 /nfs/dbraw/zinc/29/26/62/1320292662.db2.gz HHJCMUFZXKOHCP-HOCLYGCPSA-N 1 0 345.892 3.142 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000824954034 1320299519 /nfs/dbraw/zinc/29/95/19/1320299519.db2.gz NZLNJMODZOKTBL-JKSUJKDBSA-N 1 0 348.830 3.459 20 10 EGCDRO COCCOc1ncccc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825114080 1320311994 /nfs/dbraw/zinc/31/19/94/1320311994.db2.gz NYZCRJOUGZAGEO-UHFFFAOYSA-N 1 0 336.819 3.064 20 10 EGCDRO CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825113680 1320312253 /nfs/dbraw/zinc/31/22/53/1320312253.db2.gz IBXHPQPTUFLBIN-UHFFFAOYSA-N 1 0 332.831 3.394 20 10 EGCDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1n1cccn1 ZINC000825117826 1320312312 /nfs/dbraw/zinc/31/23/12/1320312312.db2.gz LKWJHYDZCBRFBP-QRQLOZEOSA-N 1 0 341.455 3.105 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)n1-c1cccc(Cl)c1 ZINC000825245124 1320321018 /nfs/dbraw/zinc/32/10/18/1320321018.db2.gz FQDUWLKDWLZRMB-KDOFPFPSSA-N 1 0 343.858 3.181 20 10 EGCDRO OC[C@@H]([C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1)C1CC1 ZINC000826063981 1320381651 /nfs/dbraw/zinc/38/16/51/1320381651.db2.gz BQQNNRRYAJYEDX-ZBFHGGJFSA-N 1 0 340.261 3.041 20 10 EGCDRO C[N@H+](Cc1cc(F)ccc1O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000826810144 1320405713 /nfs/dbraw/zinc/40/57/13/1320405713.db2.gz OMABHYRAQQBNSS-UHFFFAOYSA-N 1 0 326.412 3.266 20 10 EGCDRO C[C@H](O)CC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838954849 1320841813 /nfs/dbraw/zinc/84/18/13/1320841813.db2.gz GXWCJCKNFZYTAZ-ZDUSSCGKSA-N 1 0 341.293 3.300 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)c2ccc(F)cc2)cc1 ZINC000839515154 1320931547 /nfs/dbraw/zinc/93/15/47/1320931547.db2.gz SGJSWGUQCGVUEL-UHFFFAOYSA-N 1 0 343.446 3.033 20 10 EGCDRO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840146736 1321039140 /nfs/dbraw/zinc/03/91/40/1321039140.db2.gz MGWFRFIMJJBMLQ-MRXNPFEDSA-N 1 0 347.503 3.234 20 10 EGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000840186434 1321045782 /nfs/dbraw/zinc/04/57/82/1321045782.db2.gz ZLUOZLASKAGZPB-FQEVSTJZSA-N 1 0 343.423 3.329 20 10 EGCDRO Fc1cc(C[NH2+][C@@H](C2CC2)C2CCC2)cc(F)c1N1CCOCC1 ZINC000840758188 1321143095 /nfs/dbraw/zinc/14/30/95/1321143095.db2.gz OSMIRXXZGPHHPH-GOSISDBHSA-N 1 0 336.426 3.470 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c(O)c1 ZINC000840795863 1321150024 /nfs/dbraw/zinc/15/00/24/1321150024.db2.gz BXXKURFMDIEYEO-NVXWUHKLSA-N 1 0 349.471 3.075 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)c(O)c1 ZINC000840866695 1321165194 /nfs/dbraw/zinc/16/51/94/1321165194.db2.gz MWWIBENEFDWKDA-AWEZNQCLSA-N 1 0 333.453 3.263 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(C)C ZINC000840879209 1321167722 /nfs/dbraw/zinc/16/77/22/1321167722.db2.gz MDFFGAWOWAQTJG-UCLAIMLFSA-N 1 0 338.467 3.108 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000840890835 1321171901 /nfs/dbraw/zinc/17/19/01/1321171901.db2.gz PALKEUXAXWJVLS-GWCFXTLKSA-N 1 0 332.366 3.365 20 10 EGCDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840938241 1321181842 /nfs/dbraw/zinc/18/18/42/1321181842.db2.gz LZLWDXCUMLMQDD-HNNXBMFYSA-N 1 0 333.476 3.018 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CS[C@H](C)C2)c1O ZINC000840957730 1321186299 /nfs/dbraw/zinc/18/62/99/1321186299.db2.gz DGNFJBUHCPYQRE-KCJUWKMLSA-N 1 0 332.263 3.147 20 10 EGCDRO Nc1ccc(CC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000841035182 1321205117 /nfs/dbraw/zinc/20/51/17/1321205117.db2.gz GEIFQCRCGIFLAK-FQEVSTJZSA-N 1 0 326.440 3.159 20 10 EGCDRO Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841041574 1321207271 /nfs/dbraw/zinc/20/72/71/1321207271.db2.gz DYGZNLWJUGSIKV-HXUWFJFHSA-N 1 0 349.482 3.241 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000841041373 1321207471 /nfs/dbraw/zinc/20/74/71/1321207471.db2.gz HOSGXVCMUCJAMC-IIAWOOMASA-N 1 0 329.410 3.463 20 10 EGCDRO CC(C)(CNC(=O)Nc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000841301297 1321249957 /nfs/dbraw/zinc/24/99/57/1321249957.db2.gz JPTAEVJQAPDXQR-UHFFFAOYSA-N 1 0 338.455 3.227 20 10 EGCDRO C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(N(C)C)cc1 ZINC000841303358 1321250640 /nfs/dbraw/zinc/25/06/40/1321250640.db2.gz CDNUREJFPKOGQH-AWEZNQCLSA-N 1 0 338.455 3.281 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000841406970 1321269239 /nfs/dbraw/zinc/26/92/39/1321269239.db2.gz UMUKONWUAXPQLQ-KSSFIOAISA-N 1 0 342.439 3.271 20 10 EGCDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000841864200 1321324402 /nfs/dbraw/zinc/32/44/02/1321324402.db2.gz HIFWVWKHHIEASH-KGLIPLIRSA-N 1 0 340.414 3.414 20 10 EGCDRO CN(C)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000841890499 1321327266 /nfs/dbraw/zinc/32/72/66/1321327266.db2.gz PPAIHRWSGZALGH-UHFFFAOYSA-N 1 0 326.440 3.155 20 10 EGCDRO COc1cc(NCc2cc(C)ccc2O)ccc1OCC[NH+](C)C ZINC000841894452 1321328751 /nfs/dbraw/zinc/32/87/51/1321328751.db2.gz ZIKUWMODASEUTJ-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO O=C(NCC[C@H]1CC[NH2+]C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841935054 1321331310 /nfs/dbraw/zinc/33/13/10/1321331310.db2.gz FAYJETGWZBOFHT-MRXNPFEDSA-N 1 0 345.487 3.236 20 10 EGCDRO CCN(C[C@H](C[NH3+])c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000842471505 1321392323 /nfs/dbraw/zinc/39/23/23/1321392323.db2.gz FVTAETANADXKIH-INIZCTEOSA-N 1 0 344.455 3.281 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CO1 ZINC000842674037 1321416431 /nfs/dbraw/zinc/41/64/31/1321416431.db2.gz WJGBAYZXNXFJPD-JSGCOSHPSA-N 1 0 326.387 3.024 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000843059509 1321463620 /nfs/dbraw/zinc/46/36/20/1321463620.db2.gz NOMSNVMKQIREFR-CORIIIEPSA-N 1 0 339.277 3.022 20 10 EGCDRO Cc1cc(Br)cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843123737 1321473055 /nfs/dbraw/zinc/47/30/55/1321473055.db2.gz OXRDFPPZHYUQJJ-INIZCTEOSA-N 1 0 339.277 3.039 20 10 EGCDRO CCc1cccc(C)c1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349538 1321503601 /nfs/dbraw/zinc/50/36/01/1321503601.db2.gz CNEMOFRALDDWAR-UHFFFAOYSA-N 1 0 337.467 3.407 20 10 EGCDRO C[C@H](C[NH3+])N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000843350105 1321503971 /nfs/dbraw/zinc/50/39/71/1321503971.db2.gz KFSKKBJJMLIBIF-CQSZACIVSA-N 1 0 325.416 3.320 20 10 EGCDRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350862 1321503993 /nfs/dbraw/zinc/50/39/93/1321503993.db2.gz XIFVKLABHJUGPG-AWEZNQCLSA-N 1 0 344.480 3.063 20 10 EGCDRO Cc1ccc(Cl)cc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350747 1321504284 /nfs/dbraw/zinc/50/42/84/1321504284.db2.gz XYLXYEQIMPGSNK-UHFFFAOYSA-N 1 0 343.858 3.498 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843486088 1321522155 /nfs/dbraw/zinc/52/21/55/1321522155.db2.gz PENLOQLESITXIY-YQQQUEKLSA-N 1 0 343.515 3.410 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[NH2+]CC1CC1 ZINC000843486563 1321522178 /nfs/dbraw/zinc/52/21/78/1321522178.db2.gz UOLSOWJFSKXZCC-MRXNPFEDSA-N 1 0 338.451 3.482 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)c1O ZINC000846135065 1321770256 /nfs/dbraw/zinc/77/02/56/1321770256.db2.gz AAOROPQCQSVFDK-ZDUSSCGKSA-N 1 0 331.412 3.311 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCCN2CCc3ccccc3C2)c1O ZINC000846137001 1321770304 /nfs/dbraw/zinc/77/03/04/1321770304.db2.gz PUSOTFADJPHRLI-INIZCTEOSA-N 1 0 340.467 3.500 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1O ZINC000846140248 1321770925 /nfs/dbraw/zinc/77/09/25/1321770925.db2.gz KUAXRFLFIVOZNT-ZDUSSCGKSA-N 1 0 334.460 3.089 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000846144190 1321771294 /nfs/dbraw/zinc/77/12/94/1321771294.db2.gz LIFHBYHGNYYRKB-RHSMWYFYSA-N 1 0 342.439 3.271 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1O ZINC000846150170 1321771920 /nfs/dbraw/zinc/77/19/20/1321771920.db2.gz ATQYBDQANPNSSV-GFCCVEGCSA-N 1 0 332.356 3.039 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c1O ZINC000846150474 1321772093 /nfs/dbraw/zinc/77/20/93/1321772093.db2.gz PRGFIGXBHYMOAO-CQSZACIVSA-N 1 0 332.419 3.323 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)c1O ZINC000846155761 1321772644 /nfs/dbraw/zinc/77/26/44/1321772644.db2.gz XZUQIAJXQSXKSP-ZIAGYGMSSA-N 1 0 329.396 3.282 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000846167060 1321773701 /nfs/dbraw/zinc/77/37/01/1321773701.db2.gz RXTYPFNBDRXMKO-ZLXGRDSLSA-N 1 0 345.414 3.357 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1O ZINC000846171984 1321773718 /nfs/dbraw/zinc/77/37/18/1321773718.db2.gz JZGMDUKKNHHDAS-HIFRSBDPSA-N 1 0 344.411 3.172 20 10 EGCDRO C[NH+](C)[C@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000846474560 1321788365 /nfs/dbraw/zinc/78/83/65/1321788365.db2.gz VCARUYYFDBXFKG-MRXNPFEDSA-N 1 0 332.831 3.355 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCc2ccc(F)cc2)cc1 ZINC000848394752 1321956840 /nfs/dbraw/zinc/95/68/40/1321956840.db2.gz UJHXUTBPPNHDJJ-IBGZPJMESA-N 1 0 343.446 3.031 20 10 EGCDRO CCc1cccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1O ZINC000848903351 1322039982 /nfs/dbraw/zinc/03/99/82/1322039982.db2.gz QJACLXWZTGWVIL-CQSZACIVSA-N 1 0 331.485 3.290 20 10 EGCDRO Nc1cccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000849350800 1322117204 /nfs/dbraw/zinc/11/72/04/1322117204.db2.gz WVCOXKPJOASJGD-UHFFFAOYSA-N 1 0 340.427 3.457 20 10 EGCDRO COc1cc(C[NH2+]CCCc2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850116977 1322194389 /nfs/dbraw/zinc/19/43/89/1322194389.db2.gz SFYIJKQAYJQGCM-UHFFFAOYSA-N 1 0 331.460 3.154 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850186188 1322203771 /nfs/dbraw/zinc/20/37/71/1322203771.db2.gz OPAIILJQWJLHDN-UGSOOPFHSA-N 1 0 332.488 3.271 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850235080 1322212900 /nfs/dbraw/zinc/21/29/00/1322212900.db2.gz QXFSNRRRGDRMRG-FOIQADDNSA-N 1 0 349.471 3.126 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)ccc1OC ZINC000850355146 1322232224 /nfs/dbraw/zinc/23/22/24/1322232224.db2.gz GYXJLCREBYSMGL-QZMQVMSPSA-N 1 0 339.501 3.011 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1F ZINC000850396812 1322237786 /nfs/dbraw/zinc/23/77/86/1322237786.db2.gz PGEUPIXTPQKIMU-MRXNPFEDSA-N 1 0 349.494 3.409 20 10 EGCDRO CCOC(=O)NC1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000850437645 1322249830 /nfs/dbraw/zinc/24/98/30/1322249830.db2.gz QZQMQWPDVFVAHM-UHFFFAOYSA-N 1 0 343.518 3.272 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCc4cccnc43)cc2)CC1 ZINC000850568193 1322269409 /nfs/dbraw/zinc/26/94/09/1322269409.db2.gz RGRPWYDDOZOYPO-FQEVSTJZSA-N 1 0 337.467 3.210 20 10 EGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C(C)(C)O1 ZINC000850566984 1322269547 /nfs/dbraw/zinc/26/95/47/1322269547.db2.gz VSAHTBVWFOAXNA-GOSISDBHSA-N 1 0 332.488 3.083 20 10 EGCDRO FC(F)(F)c1ccn(CC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922326690 1322502397 /nfs/dbraw/zinc/50/23/97/1322502397.db2.gz TUYKEFGGDMHANL-UHFFFAOYSA-N 1 0 325.334 3.017 20 10 EGCDRO C[C@H]1CN(CC[N@H+](Cc2ccco2)Cc2ccccc2O)C[C@H](C)O1 ZINC000851840167 1323100662 /nfs/dbraw/zinc/10/06/62/1323100662.db2.gz AUAKKYNRWBPYOP-IRXDYDNUSA-N 1 0 344.455 3.097 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc2c1OCO2 ZINC000924749715 1323143796 /nfs/dbraw/zinc/14/37/96/1323143796.db2.gz KILDUHYSZXEVQJ-HNNXBMFYSA-N 1 0 340.423 3.103 20 10 EGCDRO CCN(C)c1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000852091876 1323144542 /nfs/dbraw/zinc/14/45/42/1323144542.db2.gz KYLPPBQMJKQSHZ-IBGZPJMESA-N 1 0 327.472 3.387 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnnn1-c1ccccc1 ZINC000924862249 1323190179 /nfs/dbraw/zinc/19/01/79/1323190179.db2.gz PYGXTZLSWMFIAY-AWEZNQCLSA-N 1 0 339.418 3.323 20 10 EGCDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024820168 1323725480 /nfs/dbraw/zinc/72/54/80/1323725480.db2.gz WICCRUZPWDNZAH-INIZCTEOSA-N 1 0 345.447 3.233 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C(C)(C)F)cc1C ZINC001024841387 1323739276 /nfs/dbraw/zinc/73/92/76/1323739276.db2.gz HDEVYKHDJBCJLU-MRXNPFEDSA-N 1 0 336.451 3.222 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(C4CC4)CC3)C2)cc1C ZINC001026906454 1325069565 /nfs/dbraw/zinc/06/95/65/1325069565.db2.gz RBHFYHZCALUIIU-KRWDZBQOSA-N 1 0 342.483 3.132 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(N3CCOC3=O)CC2)cc1C(C)C ZINC000853608577 1325132935 /nfs/dbraw/zinc/13/29/35/1325132935.db2.gz VXQRRMMCKFCYJB-UHFFFAOYSA-N 1 0 332.444 3.241 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cc(C)co3)C2)cc1C ZINC001027010493 1325150601 /nfs/dbraw/zinc/15/06/01/1325150601.db2.gz WGWYHWSEVRXYMC-QGZVFWFLSA-N 1 0 342.439 3.157 20 10 EGCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4C)C3)C2)cc1C ZINC000963516955 1325287545 /nfs/dbraw/zinc/28/75/45/1325287545.db2.gz DECHOGNAFQIJFR-LPKJQYEVSA-N 1 0 342.483 3.177 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cn(C(C)C)nn3)C2)cc1 ZINC000926613093 1327635367 /nfs/dbraw/zinc/63/53/67/1327635367.db2.gz SDMKQAWUTXODBJ-HOTGVXAUSA-N 1 0 343.475 3.045 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1 ZINC000926919790 1327776398 /nfs/dbraw/zinc/77/63/98/1327776398.db2.gz FLKUOHFYAOQJDA-VXGBXAGGSA-N 1 0 332.366 3.078 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1O ZINC000926924519 1327779323 /nfs/dbraw/zinc/77/93/23/1327779323.db2.gz ZESNUISEOCAREU-VXGBXAGGSA-N 1 0 332.366 3.078 20 10 EGCDRO CCN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000862025351 1329455711 /nfs/dbraw/zinc/45/57/11/1329455711.db2.gz KFPCFIVCLDMYTB-QGZVFWFLSA-N 1 0 331.504 3.366 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cccc4n[nH]cc43)CC2)cc1 ZINC000862231808 1329468671 /nfs/dbraw/zinc/46/86/71/1329468671.db2.gz MXMDBGRUFTYWMW-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO CN(CCC[NH+]1CCCC1)Cc1c(O)cccc1Br ZINC000862352910 1329476740 /nfs/dbraw/zinc/47/67/40/1329476740.db2.gz OXFAKIHZYIPLHL-UHFFFAOYSA-N 1 0 327.266 3.072 20 10 EGCDRO C[C@@H]1CN(Cc2c(O)cccc2Br)CC2(CCC2)O1 ZINC000862399849 1329482895 /nfs/dbraw/zinc/48/28/95/1329482895.db2.gz FFHKUFHWLNTUBQ-LLVKDONJSA-N 1 0 326.234 3.298 20 10 EGCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000862476085 1329489490 /nfs/dbraw/zinc/48/94/90/1329489490.db2.gz HPQCCFKTZDCUKZ-KGLIPLIRSA-N 1 0 327.371 3.157 20 10 EGCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000862476087 1329489758 /nfs/dbraw/zinc/48/97/58/1329489758.db2.gz HPQCCFKTZDCUKZ-ZIAGYGMSSA-N 1 0 327.371 3.157 20 10 EGCDRO CCOc1cccc(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)c1O ZINC000862537174 1329493994 /nfs/dbraw/zinc/49/39/94/1329493994.db2.gz UMSSOJKYHLHTRC-QGZVFWFLSA-N 1 0 341.407 3.063 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C ZINC000865782975 1329738162 /nfs/dbraw/zinc/73/81/62/1329738162.db2.gz IVWGQWGFVXQYHS-HNNXBMFYSA-N 1 0 347.480 3.306 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866434283 1330111574 /nfs/dbraw/zinc/11/15/74/1330111574.db2.gz KJAXBCSCNQVVMA-GJZGRUSLSA-N 1 0 341.381 3.188 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C3CCC3)C2)cc1C ZINC000969058073 1336132008 /nfs/dbraw/zinc/13/20/08/1336132008.db2.gz VNWLWEFOKOONMM-MAUKXSAKSA-N 1 0 330.472 3.130 20 10 EGCDRO CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340065 1340577803 /nfs/dbraw/zinc/57/78/03/1340577803.db2.gz JDUDZVZHYAAACT-INIZCTEOSA-N 1 0 345.447 3.089 20 10 EGCDRO CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699134 1341965962 /nfs/dbraw/zinc/96/59/62/1341965962.db2.gz LHDFHLNWBUVWRX-BBRMVZONSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2[nH]ccc2C)cc1C ZINC001034924163 1342837840 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CC(C)[N@H+](C)[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC001203649775 1370200555 /nfs/dbraw/zinc/20/05/55/1370200555.db2.gz GFCKCVWBWPNYJY-AWEZNQCLSA-N 1 0 327.266 3.069 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001203655717 1370203509 /nfs/dbraw/zinc/20/35/09/1370203509.db2.gz BHUUKMPKRKVVAP-IAGOWNOFSA-N 1 0 343.858 3.004 20 10 EGCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@H]21 ZINC001203659699 1370205944 /nfs/dbraw/zinc/20/59/44/1370205944.db2.gz YGQHRZPTCWXBNG-XJKSGUPXSA-N 1 0 336.863 3.124 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1c1ccccc1 ZINC001203665832 1370208190 /nfs/dbraw/zinc/20/81/90/1370208190.db2.gz XDBJUQUEDIZAQI-IRXDYDNUSA-N 1 0 345.826 3.434 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3OC)C2)c1 ZINC001203675511 1370212401 /nfs/dbraw/zinc/21/24/01/1370212401.db2.gz ZNFXWZHJMIGVRL-MRXNPFEDSA-N 1 0 329.396 3.063 20 10 EGCDRO COc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203934324 1370321374 /nfs/dbraw/zinc/32/13/74/1370321374.db2.gz QOOPQSCIINJFJQ-GOSISDBHSA-N 1 0 326.440 3.415 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)cc3)CC2)c(OC)c1 ZINC001204175271 1370399442 /nfs/dbraw/zinc/39/94/42/1370399442.db2.gz SHKXVMFNLCXWOJ-UHFFFAOYSA-N 1 0 326.440 3.334 20 10 EGCDRO O=C1CC2(CC[NH+](Cc3ccc(O)cc3O)CC2)c2cc(F)ccc21 ZINC001204276567 1370429340 /nfs/dbraw/zinc/42/93/40/1370429340.db2.gz NGXCDHWIRJBUKJ-UHFFFAOYSA-N 1 0 341.382 3.357 20 10 EGCDRO COc1cccc([C@H]2CSCC[N@@H+]2Cc2ccc(O)cc2O)c1 ZINC001204277884 1370430385 /nfs/dbraw/zinc/43/03/85/1370430385.db2.gz NRRHHNLIJXFRSA-QGZVFWFLSA-N 1 0 331.437 3.397 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@](C)(CF)C2)c1O ZINC001204336674 1370447540 /nfs/dbraw/zinc/44/75/40/1370447540.db2.gz UINUYJXKDJORMN-AWEZNQCLSA-N 1 0 332.213 3.345 20 10 EGCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204327994 1370445312 /nfs/dbraw/zinc/44/53/12/1370445312.db2.gz AQCGETMYSXQWRS-LNLFQRSKSA-N 1 0 328.456 3.060 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)ccc1F ZINC001204561728 1370516204 /nfs/dbraw/zinc/51/62/04/1370516204.db2.gz RABLAEQVWLIWFG-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)COc3ccccc32)c(O)c1C ZINC001116589360 1370941611 /nfs/dbraw/zinc/94/16/11/1370941611.db2.gz VEDILULARLVXFK-OAHLLOKOSA-N 1 0 340.423 3.085 20 10 EGCDRO CC[C@H]1CCC[C@@]1(C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130261366 1373480687 /nfs/dbraw/zinc/48/06/87/1373480687.db2.gz AINSLLPKUMDLBS-FXAWDEMLSA-N 1 0 332.488 3.426 20 10 EGCDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001217987224 1373527390 /nfs/dbraw/zinc/52/73/90/1373527390.db2.gz MHRFPOZLCCIRCW-GUYCJALGSA-N 1 0 341.407 3.096 20 10 EGCDRO C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC001218318330 1373595276 /nfs/dbraw/zinc/59/52/76/1373595276.db2.gz TUGPZLQLDHIIML-AWEZNQCLSA-N 1 0 327.384 3.144 20 10 EGCDRO C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001218343302 1373600317 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COc1ccc(C[NH2+]CCNC(=O)c2nccc3ccccc32)cc1C ZINC001133018237 1375714703 /nfs/dbraw/zinc/71/47/03/1375714703.db2.gz RKLRXXNCDMCBML-UHFFFAOYSA-N 1 0 349.434 3.071 20 10 EGCDRO CC[N@@H+]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001231466124 1376247289 /nfs/dbraw/zinc/24/72/89/1376247289.db2.gz MSOLWXWWLXAKRJ-UHFFFAOYSA-N 1 0 340.467 3.499 20 10 EGCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1O ZINC001231593740 1376273265 /nfs/dbraw/zinc/27/32/65/1376273265.db2.gz LTKWDKZDHJOPGD-RDJZCZTQSA-N 1 0 346.471 3.389 20 10 EGCDRO Cc1cccc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c1O ZINC001231593265 1376273961 /nfs/dbraw/zinc/27/39/61/1376273961.db2.gz SMCOQDYMUOQBTH-UHFFFAOYSA-N 1 0 339.395 3.149 20 10 EGCDRO Cc1cc(C)c(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1 ZINC001231845953 1376324821 /nfs/dbraw/zinc/32/48/21/1376324821.db2.gz WJRCNOPDOLIBRQ-UHFFFAOYSA-N 1 0 342.414 3.106 20 10 EGCDRO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC001231871454 1376332482 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342.443 3.070 20 10 EGCDRO O[C@H]([C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001319951103 1386412711 /nfs/dbraw/zinc/41/27/11/1386412711.db2.gz YFXKOISZZQTFEM-HZPDHXFCSA-N 1 0 328.378 3.174 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC001320123611 1386526645 /nfs/dbraw/zinc/52/66/45/1386526645.db2.gz SWKIBKVOHLXXML-IXDOHACOSA-N 1 0 332.488 3.195 20 10 EGCDRO C[C@@H](C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N)[NH+]1CCCC1 ZINC001180577570 1386840410 /nfs/dbraw/zinc/84/04/10/1386840410.db2.gz VLHMIPMJEUQPIL-OLHLKOIRSA-N 1 0 338.415 3.090 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC(F)(F)F)C2)cc1C ZINC001181891285 1387072359 /nfs/dbraw/zinc/07/23/59/1387072359.db2.gz ZDMTXUDPFIJKKE-CQSZACIVSA-N 1 0 344.377 3.037 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CCOCC2)c2c1c(F)ccc2O ZINC001339286139 1389974639 /nfs/dbraw/zinc/97/46/39/1389974639.db2.gz HZPLEBDTPWABRM-INWMFGNUSA-N 1 0 337.435 3.094 20 10 EGCDRO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001333371614 1390291660 /nfs/dbraw/zinc/29/16/60/1390291660.db2.gz SBRXNJPNLJSKEE-FQEVSTJZSA-N 1 0 341.499 3.264 20 10 EGCDRO C[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[NH2+]1 ZINC001340837722 1390380060 /nfs/dbraw/zinc/38/00/60/1390380060.db2.gz BUONKYYORMXSJN-SJLPKXTDSA-N 1 0 343.515 3.460 20 10 EGCDRO CN(C)c1ccc([C@H](CNc2nccnc2C(F)F)[NH+](C)C)cc1 ZINC001343306022 1390706439 /nfs/dbraw/zinc/70/64/39/1390706439.db2.gz NILARFYKXHWQLG-AWEZNQCLSA-N 1 0 335.402 3.195 20 10 EGCDRO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC001347701740 1391113128 /nfs/dbraw/zinc/11/31/28/1391113128.db2.gz MDAUIKZJQOLHER-OAHLLOKOSA-N 1 0 326.440 3.284 20 10 EGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)s1 ZINC001348550434 1391236327 /nfs/dbraw/zinc/23/63/27/1391236327.db2.gz UTDDEYGZMXLYPS-ZDUSSCGKSA-N 1 0 348.491 3.193 20 10 EGCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCN1C1CCCCC1 ZINC001350427833 1391463037 /nfs/dbraw/zinc/46/30/37/1391463037.db2.gz BZDGURHHFJFRSD-FQEVSTJZSA-N 1 0 341.499 3.310 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC2(C)C)cc1C ZINC001753640622 1440454401 /nfs/dbraw/zinc/45/44/01/1440454401.db2.gz STTKIGFYKDRJIO-WMLDXEAASA-N 1 0 332.488 3.282 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C2CC2)C2CC2)cc1C ZINC001753719486 1440472608 /nfs/dbraw/zinc/47/26/08/1440472608.db2.gz GMVJUBUHVIBLGJ-OAHLLOKOSA-N 1 0 344.499 3.376 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CC[C@H](C)C1 ZINC001754071195 1440538192 /nfs/dbraw/zinc/53/81/92/1440538192.db2.gz ZDZBPQZLPIFURC-YJBOKZPZSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)/C=C\C(C)(C)C)CC2)cc1C ZINC001754510694 1440617372 /nfs/dbraw/zinc/61/73/72/1440617372.db2.gz LKPWZLNKLVNAPF-HJWRWDBZSA-N 1 0 330.472 3.344 20 10 EGCDRO CC(C)[NH+]1CCC(C)(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001754722382 1440673953 /nfs/dbraw/zinc/67/39/53/1440673953.db2.gz UVHXKHSZFCTOPL-UHFFFAOYSA-N 1 0 345.447 3.089 20 10 EGCDRO CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755572299 1440877283 /nfs/dbraw/zinc/87/72/83/1440877283.db2.gz CRENNOYBEPSZAB-INIZCTEOSA-N 1 0 345.447 3.089 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000766489253 1126109046 /nfs/dbraw/zinc/10/90/46/1126109046.db2.gz OZPCFHSJHFMGHY-IBGZPJMESA-N 1 0 330.447 3.365 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(C)nn1C)c1cc(Br)ccc1O ZINC000284267693 455658789 /nfs/dbraw/zinc/65/87/89/455658789.db2.gz JELDXXXUGWZWAX-AWEZNQCLSA-N 1 0 338.249 3.438 20 10 EGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCOC1 ZINC000157716727 455223709 /nfs/dbraw/zinc/22/37/09/455223709.db2.gz PGAPCAONNOSYGP-UONOGXRCSA-N 1 0 340.414 3.271 20 10 EGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180800187 455247323 /nfs/dbraw/zinc/24/73/23/455247323.db2.gz JHBMBHGRKQRWRX-ZDUSSCGKSA-N 1 0 325.334 3.445 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1)OCO2 ZINC000238129207 455255111 /nfs/dbraw/zinc/25/51/11/455255111.db2.gz YBUYHLRQPDPJRX-OAHLLOKOSA-N 1 0 344.411 3.031 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183267142 455265283 /nfs/dbraw/zinc/26/52/83/455265283.db2.gz BDWZIIBSCPBEGK-UHFFFAOYSA-N 1 0 344.499 3.306 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1O ZINC000183381396 455285316 /nfs/dbraw/zinc/28/53/16/455285316.db2.gz RXKPZWCIQGAPGP-DNVCBOLYSA-N 1 0 344.430 3.255 20 10 EGCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012516798 453367042 /nfs/dbraw/zinc/36/70/42/453367042.db2.gz NGXATFMMDJNYLJ-UHFFFAOYSA-N 1 0 337.398 3.402 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)ccc1OC ZINC000174440312 455391988 /nfs/dbraw/zinc/39/19/88/455391988.db2.gz PMMPFCDXZATZAL-HXUWFJFHSA-N 1 0 347.455 3.439 20 10 EGCDRO Oc1ccccc1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1CCCO1 ZINC000077284171 454085715 /nfs/dbraw/zinc/08/57/15/454085715.db2.gz UCVACIIGFPKMNV-HNNXBMFYSA-N 1 0 347.377 3.342 20 10 EGCDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000089728916 454183374 /nfs/dbraw/zinc/18/33/74/454183374.db2.gz HWUDIVYKDUPNHG-VQIMIIECSA-N 1 0 329.488 3.337 20 10 EGCDRO Cc1[nH]ccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267357 454522462 /nfs/dbraw/zinc/52/24/62/454522462.db2.gz ICJFRGOPASBEHG-HNNXBMFYSA-N 1 0 347.846 3.077 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000134886494 454603464 /nfs/dbraw/zinc/60/34/64/454603464.db2.gz IBZPWEMWGOSHGS-KUHUBIRLSA-N 1 0 346.446 3.183 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000092739867 454622376 /nfs/dbraw/zinc/62/23/76/454622376.db2.gz MZGOOXSCXUTJGU-CYBMUJFWSA-N 1 0 333.382 3.047 20 10 EGCDRO COc1cccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1O ZINC000093388577 454710941 /nfs/dbraw/zinc/71/09/41/454710941.db2.gz PNTPDCIWZXGBOP-SFHVURJKSA-N 1 0 327.424 3.273 20 10 EGCDRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000163424666 454846255 /nfs/dbraw/zinc/84/62/55/454846255.db2.gz CYALXIFCUQFZDG-MRXNPFEDSA-N 1 0 331.504 3.440 20 10 EGCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000163515800 454852590 /nfs/dbraw/zinc/85/25/90/454852590.db2.gz UWTOECVBFCJMRA-MRXNPFEDSA-N 1 0 338.517 3.152 20 10 EGCDRO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)Cc1ccccc1O ZINC000111236489 454858867 /nfs/dbraw/zinc/85/88/67/454858867.db2.gz NXPCXEZFBRZNRD-CYBMUJFWSA-N 1 0 332.831 3.182 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cncc(F)c1 ZINC000165191978 454896072 /nfs/dbraw/zinc/89/60/72/454896072.db2.gz UPBDMOKVZFGOFJ-CYBMUJFWSA-N 1 0 333.382 3.047 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000167860230 454923783 /nfs/dbraw/zinc/92/37/83/454923783.db2.gz BAXUABVFKQNCMK-ZWKOTPCHSA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000178213871 454943055 /nfs/dbraw/zinc/94/30/55/454943055.db2.gz ZSMILNLGVBYGHV-MRXNPFEDSA-N 1 0 329.488 3.244 20 10 EGCDRO CCC(CC)(CCO)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000155353415 454990231 /nfs/dbraw/zinc/99/02/31/454990231.db2.gz PGKIZHGOMZQNIX-UHFFFAOYSA-N 1 0 334.504 3.442 20 10 EGCDRO O=C(NCCc1cccs1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179564754 455058844 /nfs/dbraw/zinc/05/88/44/455058844.db2.gz YLFOIQTXDSXRMI-UHFFFAOYSA-N 1 0 344.480 3.025 20 10 EGCDRO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Br)cc(C)c1O ZINC000179838812 455087300 /nfs/dbraw/zinc/08/73/00/455087300.db2.gz AFSUSPCPHNWKDN-UHFFFAOYSA-N 1 0 338.249 3.219 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000128918379 455090900 /nfs/dbraw/zinc/09/09/00/455090900.db2.gz URRTVUXHBZQHEI-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000179948630 455104005 /nfs/dbraw/zinc/10/40/05/455104005.db2.gz LDXDMQZXOZHUDG-HNNXBMFYSA-N 1 0 346.496 3.397 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCSC3)C2)cc1 ZINC000130060664 455140358 /nfs/dbraw/zinc/14/03/58/455140358.db2.gz APPFXEAPAPMXMF-QWHCGFSZSA-N 1 0 328.428 3.352 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1C ZINC000189465868 455200826 /nfs/dbraw/zinc/20/08/26/455200826.db2.gz UKTOSGJAMFWJQK-UHFFFAOYSA-N 1 0 330.394 3.373 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3cccc(F)c3)CC2)cc1 ZINC000157644989 455216822 /nfs/dbraw/zinc/21/68/22/455216822.db2.gz FDULJWQABIVFMN-FQEVSTJZSA-N 1 0 344.430 3.126 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000158496473 455308999 /nfs/dbraw/zinc/30/89/99/455308999.db2.gz KNKJPCAMSQUWKA-GJZGRUSLSA-N 1 0 329.419 3.469 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C1(c3cccc(F)c3)CCOCC1)OCO2 ZINC000174645768 455408500 /nfs/dbraw/zinc/40/85/00/455408500.db2.gz YXFYKDCCFQMCIO-UHFFFAOYSA-N 1 0 345.370 3.056 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000182097506 455434963 /nfs/dbraw/zinc/43/49/63/455434963.db2.gz WZIHTYFAEKIXQI-HJPURHCSSA-N 1 0 333.453 3.000 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c(O)c1 ZINC000184853149 455461117 /nfs/dbraw/zinc/46/11/17/455461117.db2.gz OFXIINAXMMWWLF-WBVHZDCISA-N 1 0 346.496 3.486 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000184966765 455479157 /nfs/dbraw/zinc/47/91/57/455479157.db2.gz STISUILJELJJIG-AWEZNQCLSA-N 1 0 328.412 3.249 20 10 EGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185122785 455506086 /nfs/dbraw/zinc/50/60/86/455506086.db2.gz JKQYXPODRZXPSF-KGLIPLIRSA-N 1 0 348.468 3.021 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1O ZINC000191679725 455509202 /nfs/dbraw/zinc/50/92/02/455509202.db2.gz ZHEXEWNKVODBDQ-UHFFFAOYSA-N 1 0 346.402 3.368 20 10 EGCDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000185177356 455516759 /nfs/dbraw/zinc/51/67/59/455516759.db2.gz QTNUGDYOOVIHNJ-CYBMUJFWSA-N 1 0 328.412 3.001 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1O ZINC000185207433 455521338 /nfs/dbraw/zinc/52/13/38/455521338.db2.gz OHCNXCARWDQZJE-INIZCTEOSA-N 1 0 328.412 3.331 20 10 EGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185322480 455540636 /nfs/dbraw/zinc/54/06/36/455540636.db2.gz CRHHVFUKRHDAHF-KBPBESRZSA-N 1 0 348.468 3.021 20 10 EGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185322816 455540668 /nfs/dbraw/zinc/54/06/68/455540668.db2.gz MLKBJPLRBCRBBW-KBPBESRZSA-N 1 0 348.468 3.021 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c1 ZINC000185338061 455543401 /nfs/dbraw/zinc/54/34/01/455543401.db2.gz FAHJCFKCLUPSPY-ZDUSSCGKSA-N 1 0 328.412 3.253 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc2ccccc2c1O ZINC000185505077 455569521 /nfs/dbraw/zinc/56/95/21/455569521.db2.gz YLQUIWSEUOXPPF-JKSUJKDBSA-N 1 0 328.456 3.164 20 10 EGCDRO Cc1ccc(NCc2cc(F)ccc2O)cc1NC(=O)CC[NH+](C)C ZINC000185636554 455588339 /nfs/dbraw/zinc/58/83/39/455588339.db2.gz ROEFBZNECOZAII-UHFFFAOYSA-N 1 0 345.418 3.342 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Br)ccc1O ZINC000185735755 455610139 /nfs/dbraw/zinc/61/01/39/455610139.db2.gz ZNEDGXZPYOZQNG-WZRBSPASSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn[nH]c1 ZINC000283943277 455613907 /nfs/dbraw/zinc/61/39/07/455613907.db2.gz FLVWOESSHOHXBI-TZMCWYRMSA-N 1 0 336.386 3.331 20 10 EGCDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000271473382 455650923 /nfs/dbraw/zinc/65/09/23/455650923.db2.gz KZXPFRZLCBNACC-VOJFVSQTSA-N 1 0 333.359 3.126 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C(C)(C)n1cncn1 ZINC000284287832 455663128 /nfs/dbraw/zinc/66/31/28/455663128.db2.gz XTBHJOFEOOEMRP-QGZVFWFLSA-N 1 0 341.503 3.428 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000186022411 455677600 /nfs/dbraw/zinc/67/76/00/455677600.db2.gz VBCCCIVGYUQVAZ-CZUORRHYSA-N 1 0 328.387 3.296 20 10 EGCDRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1=O ZINC000186101997 455694143 /nfs/dbraw/zinc/69/41/43/455694143.db2.gz XMUGTEXEUIPZFH-GOEBONIOSA-N 1 0 340.423 3.165 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)N(C)C)c1 ZINC000192865542 455708077 /nfs/dbraw/zinc/70/80/77/455708077.db2.gz NIXNCWYHKCKCSL-AUUYWEPGSA-N 1 0 344.455 3.363 20 10 EGCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000268780000 455713032 /nfs/dbraw/zinc/71/30/32/455713032.db2.gz PHLCIACQUBSKJO-OLZOCXBDSA-N 1 0 346.393 3.055 20 10 EGCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000268847743 455715905 /nfs/dbraw/zinc/71/59/05/455715905.db2.gz BRILQHUQGXIFNO-MJGOQNOKSA-N 1 0 331.504 3.048 20 10 EGCDRO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2)ncn1 ZINC000248528570 455717470 /nfs/dbraw/zinc/71/74/70/455717470.db2.gz WEYPUTSZBIZLQP-CJNGLKHVSA-N 1 0 344.434 3.203 20 10 EGCDRO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2)ncn1 ZINC000248528574 455718202 /nfs/dbraw/zinc/71/82/02/455718202.db2.gz WEYPUTSZBIZLQP-CZUORRHYSA-N 1 0 344.434 3.203 20 10 EGCDRO COc1cccc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1O ZINC000293117495 455775253 /nfs/dbraw/zinc/77/52/53/455775253.db2.gz YZDRBZASMCLDPP-UHFFFAOYSA-N 1 0 345.414 3.421 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CCCO)c2ccccc2)c1O ZINC000271845957 455784621 /nfs/dbraw/zinc/78/46/21/455784621.db2.gz WRZRMUWTPZSZPJ-GOSISDBHSA-N 1 0 331.387 3.337 20 10 EGCDRO C[NH+](C)Cc1ccsc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000269089342 455787649 /nfs/dbraw/zinc/78/76/49/455787649.db2.gz QBZPFWXRTRIYLW-UHFFFAOYSA-N 1 0 344.480 3.324 20 10 EGCDRO Cc1nnsc1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000293800460 455798510 /nfs/dbraw/zinc/79/85/10/455798510.db2.gz UYDGZSAFVIJPPF-QMMMGPOBSA-N 1 0 342.262 3.474 20 10 EGCDRO CCn1cnnc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293950708 455801049 /nfs/dbraw/zinc/80/10/49/455801049.db2.gz ZHMPSQGDVFAGEI-GOSISDBHSA-N 1 0 336.439 3.467 20 10 EGCDRO COc1c(O)c(C[NH2+][C@@H](c2ncccc2C)C(C)C)ccc1[N+](=O)[O-] ZINC000278309965 455813495 /nfs/dbraw/zinc/81/34/95/455813495.db2.gz DWRHVNXSIIEAIW-OAHLLOKOSA-N 1 0 345.399 3.499 20 10 EGCDRO COc1c([O-])c(C[N@H+](CCC(F)(F)F)CC2CC2)ccc1[N+](=O)[O-] ZINC000278558014 455839915 /nfs/dbraw/zinc/83/99/15/455839915.db2.gz AVBZZJSSQVIBDC-UHFFFAOYSA-N 1 0 348.321 3.473 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000278558646 455840390 /nfs/dbraw/zinc/84/03/90/455840390.db2.gz IDWACTHBTZLGFR-HXUWFJFHSA-N 1 0 340.467 3.115 20 10 EGCDRO CCCCN(Cc1ccccc1O)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000295374636 455847580 /nfs/dbraw/zinc/84/75/80/455847580.db2.gz POPKZBOJTIYYIH-LLVKDONJSA-N 1 0 335.839 3.176 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000278830498 455849915 /nfs/dbraw/zinc/84/99/15/455849915.db2.gz OUZZQAUMFCSBNP-QMTMVMCOSA-N 1 0 336.451 3.007 20 10 EGCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000295866607 455861435 /nfs/dbraw/zinc/86/14/35/455861435.db2.gz FXYBHTKUSMZFRD-LSDHHAIUSA-N 1 0 346.450 3.291 20 10 EGCDRO O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295928783 455863188 /nfs/dbraw/zinc/86/31/88/455863188.db2.gz KEWFIZVUYQQPMU-GOSISDBHSA-N 1 0 336.435 3.292 20 10 EGCDRO CCC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](O)c1ccccc1 ZINC000279615354 455869051 /nfs/dbraw/zinc/86/90/51/455869051.db2.gz GDOOGUAOUJWCRP-JXFKEZNVSA-N 1 0 345.439 3.401 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccc(C)cc1O ZINC000279959363 455879361 /nfs/dbraw/zinc/87/93/61/455879361.db2.gz CEHMGLIYBCWBSA-QGZVFWFLSA-N 1 0 345.439 3.321 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H]3CCc4cccc(O)c43)n2)c1 ZINC000296447240 455941772 /nfs/dbraw/zinc/94/17/72/455941772.db2.gz MZPZJXSHNLAPFF-OCCSQVGLSA-N 1 0 335.411 3.219 20 10 EGCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CCCCC3)cc1)C[C@@H](C)O2 ZINC000280453246 455975012 /nfs/dbraw/zinc/97/50/12/455975012.db2.gz LMMOZNLFXGVPHY-OPYAIIAOSA-N 1 0 344.499 3.445 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000187986539 455977028 /nfs/dbraw/zinc/97/70/28/455977028.db2.gz JGRZIENFMRXTER-SJLPKXTDSA-N 1 0 327.424 3.222 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC000280466969 455977249 /nfs/dbraw/zinc/97/72/49/455977249.db2.gz CGFQUJWBYSHMQF-UHFFFAOYSA-N 1 0 339.482 3.149 20 10 EGCDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272621801 456017789 /nfs/dbraw/zinc/01/77/89/456017789.db2.gz LYQKTNIFSJZIFQ-STQMWFEESA-N 1 0 338.423 3.266 20 10 EGCDRO CC(C)C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)Nc1nccs1 ZINC000296833363 456048864 /nfs/dbraw/zinc/04/88/64/456048864.db2.gz MRQNSJDCDSUKJL-KGLIPLIRSA-N 1 0 345.468 3.479 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc(Br)ccc1O ZINC000287292213 456065836 /nfs/dbraw/zinc/06/58/36/456065836.db2.gz DGAGPKBICWCJSJ-SDDRHHMPSA-N 1 0 328.250 3.478 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CCO)cc2)CC1 ZINC000296974364 456080317 /nfs/dbraw/zinc/08/03/17/456080317.db2.gz DKKANXCPACEDED-GOSISDBHSA-N 1 0 332.488 3.039 20 10 EGCDRO C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccccc1O ZINC000272841863 456088344 /nfs/dbraw/zinc/08/83/44/456088344.db2.gz JQJRIBVADJKYQS-AWEZNQCLSA-N 1 0 328.412 3.196 20 10 EGCDRO CC(C)C(=O)NC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271056639 456114073 /nfs/dbraw/zinc/11/40/73/456114073.db2.gz UHQNCOASYGMNKE-UHFFFAOYSA-N 1 0 343.515 3.414 20 10 EGCDRO COC(=O)N1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263655671 456184482 /nfs/dbraw/zinc/18/44/82/456184482.db2.gz FSZUWPOYMRLDQJ-UHFFFAOYSA-N 1 0 340.423 3.380 20 10 EGCDRO COCCOc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000273427672 456230531 /nfs/dbraw/zinc/23/05/31/456230531.db2.gz UTSKAVFZRPAEJW-AWEZNQCLSA-N 1 0 331.412 3.277 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@H](c3ccc(F)cc3)C1)OCO2 ZINC000273481058 456232945 /nfs/dbraw/zinc/23/29/45/456232945.db2.gz LGJJPHMWPWZWIH-WBVHZDCISA-N 1 0 345.370 3.270 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c(O)c1C ZINC000273507228 456236782 /nfs/dbraw/zinc/23/67/82/456236782.db2.gz REOBIKUOADHEAF-CYBMUJFWSA-N 1 0 348.393 3.368 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273624095 456242021 /nfs/dbraw/zinc/24/20/21/456242021.db2.gz ZVGCAPMNSIIUPA-CHWSQXEVSA-N 1 0 340.423 3.332 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC1CC[NH2+]CC1 ZINC000237217235 456248429 /nfs/dbraw/zinc/24/84/29/456248429.db2.gz DIIMDXYXJCFLMM-UHFFFAOYSA-N 1 0 343.515 3.415 20 10 EGCDRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000274404407 456258007 /nfs/dbraw/zinc/25/80/07/456258007.db2.gz BNOLOKAZJPWVPN-AWEZNQCLSA-N 1 0 332.469 3.444 20 10 EGCDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275109042 456269909 /nfs/dbraw/zinc/26/99/09/456269909.db2.gz CEZUMNXDSZXNON-UHFFFAOYSA-N 1 0 337.782 3.018 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1nnc2n1CCCCC2 ZINC000297928747 456326951 /nfs/dbraw/zinc/32/69/51/456326951.db2.gz XLNBIISSYKPCDT-CABCVRRESA-N 1 0 326.444 3.438 20 10 EGCDRO CN(C)c1ccc(CN(Cc2cn(C(C)(C)C)nn2)C2CC2)cc1 ZINC000276818381 456590283 /nfs/dbraw/zinc/59/02/83/456590283.db2.gz YUDZJXJIHYCJFC-UHFFFAOYSA-N 1 0 327.476 3.264 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1[O-] ZINC000363862377 457457148 /nfs/dbraw/zinc/45/71/48/457457148.db2.gz YWACRISIESXXDW-FPMFFAJLSA-N 1 0 339.277 3.432 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)Cn3ccnc3C)CC2)cc1 ZINC000370633868 457687048 /nfs/dbraw/zinc/68/70/48/457687048.db2.gz JBKWVBZBDNWGIE-INIZCTEOSA-N 1 0 342.487 3.095 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1 ZINC000374740247 457698418 /nfs/dbraw/zinc/69/84/18/457698418.db2.gz ZCLQCOVELJKOOS-UHFFFAOYSA-N 1 0 331.416 3.036 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000366588770 457862147 /nfs/dbraw/zinc/86/21/47/457862147.db2.gz RCSLCONURMAKRH-CBZIJGRNSA-N 1 0 348.874 3.172 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1O ZINC000368225026 458019162 /nfs/dbraw/zinc/01/91/62/458019162.db2.gz GDRZLWVHFRUSDR-HXUWFJFHSA-N 1 0 325.408 3.371 20 10 EGCDRO C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662513655 461277194 /nfs/dbraw/zinc/27/71/94/461277194.db2.gz CPINFSQIJOSCND-OAHLLOKOSA-N 1 0 335.451 3.065 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)[C@@H](O)C(C)C)CC2)cc1 ZINC000378403648 547818741 /nfs/dbraw/zinc/81/87/41/547818741.db2.gz NVJJZJQAOCHRRX-IBGZPJMESA-N 1 0 334.504 3.297 20 10 EGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000726184929 574545432 /nfs/dbraw/zinc/54/54/32/574545432.db2.gz ITYJTWDCLSOBNL-OAHLLOKOSA-N 1 0 341.455 3.069 20 10 EGCDRO Cc1n[nH]cc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726608084 574563636 /nfs/dbraw/zinc/56/36/36/574563636.db2.gz LMNZJKXVBFWCJE-UHFFFAOYSA-N 1 0 336.386 3.078 20 10 EGCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000727230492 574655415 /nfs/dbraw/zinc/65/54/15/574655415.db2.gz XFEQHXBZNPPNSG-QGZVFWFLSA-N 1 0 348.535 3.405 20 10 EGCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000729346339 574844733 /nfs/dbraw/zinc/84/47/33/574844733.db2.gz QDJRDNVCSSNVPN-LJQANCHMSA-N 1 0 329.488 3.168 20 10 EGCDRO COC(=O)C1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000730107406 574920362 /nfs/dbraw/zinc/92/03/62/574920362.db2.gz IODZLSVMSNSPRP-UHFFFAOYSA-N 1 0 330.472 3.498 20 10 EGCDRO Cc1ncc(/C=C\C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000732741033 575285677 /nfs/dbraw/zinc/28/56/77/575285677.db2.gz HBUQKHFBVZTYAR-KTKRTIGZSA-N 1 0 345.468 3.068 20 10 EGCDRO CCCC[N@H+](C)CCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000732890294 575294962 /nfs/dbraw/zinc/29/49/62/575294962.db2.gz XZVKWDRIJGUFDX-UHFFFAOYSA-N 1 0 334.508 3.016 20 10 EGCDRO COc1cccc(C[NH2+]Cc2csc(-c3ccccn3)n2)c1O ZINC000733900727 575407577 /nfs/dbraw/zinc/40/75/77/575407577.db2.gz CUWLKBSLQHDQOR-UHFFFAOYSA-N 1 0 327.409 3.209 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCOC[C@H]1CCCO1 ZINC000734507999 575504118 /nfs/dbraw/zinc/50/41/18/575504118.db2.gz AZXWSZIUXRXWKR-LJQANCHMSA-N 1 0 327.424 3.344 20 10 EGCDRO CC[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000735311164 575640424 /nfs/dbraw/zinc/64/04/24/575640424.db2.gz LPPGCEGYGJVUMO-KRWDZBQOSA-N 1 0 331.504 3.223 20 10 EGCDRO CC(C)CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000740017930 576533591 /nfs/dbraw/zinc/53/35/91/576533591.db2.gz 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Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(C)n1-c1ccccc1C ZINC000261924507 1296608208 /nfs/dbraw/zinc/60/82/08/1296608208.db2.gz IYCKFQWCCMFBHN-WMLDXEAASA-N 1 0 325.456 3.212 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000872136099 1296760555 /nfs/dbraw/zinc/76/05/55/1296760555.db2.gz JLPLLEXNNSZXNJ-VLXJIEOASA-N 1 0 331.412 3.182 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000872137160 1296762801 /nfs/dbraw/zinc/76/28/01/1296762801.db2.gz OFFKLDYMMRNHCT-LRDNONRASA-N 1 0 345.439 3.491 20 10 EGCDRO C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCCN1C(=O)OC(C)(C)C ZINC000301905154 1296795928 /nfs/dbraw/zinc/79/59/28/1296795928.db2.gz MZXVVJLAULRBCJ-YOEHRIQHSA-N 1 0 346.471 3.499 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000305781833 1297050038 /nfs/dbraw/zinc/05/00/38/1297050038.db2.gz PEIZOZQUYWKXEN-MRXNPFEDSA-N 1 0 341.329 3.243 20 10 EGCDRO C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000325461836 1297226084 /nfs/dbraw/zinc/22/60/84/1297226084.db2.gz STSHARCPQZQGMH-HNAYVOBHSA-N 1 0 325.456 3.047 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1Cn1cccn1 ZINC000873076532 1297261558 /nfs/dbraw/zinc/26/15/58/1297261558.db2.gz PPFFHEJITCUOBV-GOSISDBHSA-N 1 0 331.485 3.315 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1Cn1cccn1 ZINC000873138503 1297293628 /nfs/dbraw/zinc/29/36/28/1297293628.db2.gz TVHAYAYZGRUTMG-FQEVSTJZSA-N 1 0 349.434 3.423 20 10 EGCDRO C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386334865 1297590336 /nfs/dbraw/zinc/59/03/36/1297590336.db2.gz MUKLKZXLJFNGBM-RDJZCZTQSA-N 1 0 338.455 3.301 20 10 EGCDRO C[NH+](C)C1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715745068 1298285972 /nfs/dbraw/zinc/28/59/72/1298285972.db2.gz NJMSXGFRRQRYNL-UHFFFAOYSA-N 1 0 345.256 3.256 20 10 EGCDRO CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715828975 1298289248 /nfs/dbraw/zinc/28/92/48/1298289248.db2.gz QTIFIXKRTFJVQZ-LLVKDONJSA-N 1 0 345.256 3.115 20 10 EGCDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000875404069 1298327374 /nfs/dbraw/zinc/32/73/74/1298327374.db2.gz SHNVJOZMNMDOTF-HZPDHXFCSA-N 1 0 333.476 3.120 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)c2ccccn2)c1O ZINC000725848973 1298373295 /nfs/dbraw/zinc/37/32/95/1298373295.db2.gz FKIJJWGBUZMDQU-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000725846425 1298374054 /nfs/dbraw/zinc/37/40/54/1298374054.db2.gz IIUSRFDPQPOWTH-SFHVURJKSA-N 1 0 342.439 3.100 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCOCC2)ccc1N1CCCCC1 ZINC000725851217 1298377249 /nfs/dbraw/zinc/37/72/49/1298377249.db2.gz NBECWYXCKQLMIB-UHFFFAOYSA-N 1 0 333.432 3.101 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000876551084 1298819853 /nfs/dbraw/zinc/81/98/53/1298819853.db2.gz JUEBAYQMQDTWQV-UHFFFAOYSA-N 1 0 340.423 3.257 20 10 EGCDRO CO[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)C1CCOCC1 ZINC000876570617 1298836829 /nfs/dbraw/zinc/83/68/29/1298836829.db2.gz IIISCPIYDSAZJK-HXUWFJFHSA-N 1 0 332.488 3.159 20 10 EGCDRO C[N@H+](CCc1ccccc1F)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876632345 1298884236 /nfs/dbraw/zinc/88/42/36/1298884236.db2.gz CRRZFOQPNOVHOG-UHFFFAOYSA-N 1 0 342.458 3.461 20 10 EGCDRO CC[N@H+](CCc1ccccn1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876635080 1298885246 /nfs/dbraw/zinc/88/52/46/1298885246.db2.gz LJPSLHQJXRBKKS-UHFFFAOYSA-N 1 0 339.483 3.107 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000876641537 1298889383 /nfs/dbraw/zinc/88/93/83/1298889383.db2.gz LBICTZJXLJGMAO-OAHLLOKOSA-N 1 0 334.460 3.437 20 10 EGCDRO CCC(CC)[C@H](CNC(=O)NCc1ccccc1O)[NH+]1CCCC1 ZINC000748459293 1299013656 /nfs/dbraw/zinc/01/36/56/1299013656.db2.gz FITZJKLXALUCGX-KRWDZBQOSA-N 1 0 333.476 3.092 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCCNc3ccccc3)cc2)CC1 ZINC000876875390 1299045821 /nfs/dbraw/zinc/04/58/21/1299045821.db2.gz TWJVPQJZWSVZCU-UHFFFAOYSA-N 1 0 339.483 3.240 20 10 EGCDRO CSCC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1nnc2ccccn21 ZINC000876904244 1299059109 /nfs/dbraw/zinc/05/91/09/1299059109.db2.gz WYKNNEGPQKPSGB-OAHLLOKOSA-N 1 0 342.468 3.327 20 10 EGCDRO CCC(CC)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000876922976 1299067743 /nfs/dbraw/zinc/06/77/43/1299067743.db2.gz NVRONBJTPCRXBN-OAQYLSRUSA-N 1 0 347.547 3.104 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000876970296 1299094818 /nfs/dbraw/zinc/09/48/18/1299094818.db2.gz NZMFRPLQAZAKMA-KRWDZBQOSA-N 1 0 340.467 3.211 20 10 EGCDRO Cc1cnc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)o1 ZINC000876999712 1299108034 /nfs/dbraw/zinc/10/80/34/1299108034.db2.gz WFKOEVQCHHCEQI-UHFFFAOYSA-N 1 0 337.370 3.343 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877015299 1299114755 /nfs/dbraw/zinc/11/47/55/1299114755.db2.gz KTYQSVLHCBLHGI-OAHLLOKOSA-N 1 0 334.460 3.437 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c(C)noc1C ZINC000877120495 1299166695 /nfs/dbraw/zinc/16/66/95/1299166695.db2.gz TXDKZNGZHCRKNJ-IBGZPJMESA-N 1 0 343.471 3.493 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000749241332 1299174283 /nfs/dbraw/zinc/17/42/83/1299174283.db2.gz KYAKPRIALVYLQA-LJQANCHMSA-N 1 0 329.488 3.084 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000877472011 1299322992 /nfs/dbraw/zinc/32/29/92/1299322992.db2.gz HGTJWWBURJZWKG-NRFANRHFSA-N 1 0 346.515 3.069 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CCC4(CCOCC4)CC3)cc2)CC1 ZINC000877507201 1299355520 /nfs/dbraw/zinc/35/55/20/1299355520.db2.gz ADBIXOFGMHPNOE-UHFFFAOYSA-N 1 0 344.499 3.040 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000877564674 1299402341 /nfs/dbraw/zinc/40/23/41/1299402341.db2.gz IOXKSBJKZXKSTO-SFHVURJKSA-N 1 0 344.499 3.087 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](CC)CO1 ZINC000877611362 1299430254 /nfs/dbraw/zinc/43/02/54/1299430254.db2.gz PUZZAOZABVRJQD-PXNSSMCTSA-N 1 0 332.488 3.037 20 10 EGCDRO CO[C@@](C)(C[NH2+]Cc1c(C)cccc1O)COCc1ccccc1 ZINC000877624179 1299440070 /nfs/dbraw/zinc/44/00/70/1299440070.db2.gz MDTHYPMOJRLRSW-FQEVSTJZSA-N 1 0 329.440 3.412 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1OC ZINC000877699770 1299491591 /nfs/dbraw/zinc/49/15/91/1299491591.db2.gz KMSDZBBGOZLERK-JTQLQIEISA-N 1 0 344.367 3.107 20 10 EGCDRO OCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1CC1 ZINC000753533544 1299965864 /nfs/dbraw/zinc/96/58/64/1299965864.db2.gz WGFZFRSQUIONMJ-UHFFFAOYSA-N 1 0 327.424 3.176 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000753566457 1299975689 /nfs/dbraw/zinc/97/56/89/1299975689.db2.gz QOBTZZWJOSVFRY-HXUWFJFHSA-N 1 0 327.424 3.222 20 10 EGCDRO C[C@@H]1C[C@H](CCNC(=O)C2=CC(=O)CS2)C[N@@H+]1Cc1ccccc1 ZINC000753831635 1300028221 /nfs/dbraw/zinc/02/82/21/1300028221.db2.gz VWYFKCSTXZKROY-ZBFHGGJFSA-N 1 0 344.480 3.484 20 10 EGCDRO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1cc2c(cc1O)CCCC2 ZINC000756360830 1300475726 /nfs/dbraw/zinc/47/57/26/1300475726.db2.gz GUSPTOOGBLOCMD-CQSZACIVSA-N 1 0 336.439 3.207 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756369191 1300476582 /nfs/dbraw/zinc/47/65/82/1300476582.db2.gz RRUQABRVASCEOT-HGTKMLMNSA-N 1 0 336.451 3.169 20 10 EGCDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756379184 1300479696 /nfs/dbraw/zinc/47/96/96/1300479696.db2.gz MCLFJRTZJWAFTI-OAHLLOKOSA-N 1 0 342.439 3.445 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000756431697 1300489452 /nfs/dbraw/zinc/48/94/52/1300489452.db2.gz OORUXZXQKKQVFZ-INIZCTEOSA-N 1 0 348.487 3.342 20 10 EGCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756433303 1300489987 /nfs/dbraw/zinc/48/99/87/1300489987.db2.gz XCFYTYQOMFYNLY-CABCVRRESA-N 1 0 335.448 3.463 20 10 EGCDRO C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756503738 1300509792 /nfs/dbraw/zinc/50/97/92/1300509792.db2.gz LZPYYMFPHMQJSD-NXEZZACHSA-N 1 0 333.245 3.285 20 10 EGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000756530304 1300515101 /nfs/dbraw/zinc/51/51/01/1300515101.db2.gz XBWUHSMGOWPQME-CZUORRHYSA-N 1 0 332.444 3.152 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(Br)ccc1O ZINC000756534189 1300515958 /nfs/dbraw/zinc/51/59/58/1300515958.db2.gz LCURZNBRKAHLJG-JQWIXIFHSA-N 1 0 325.250 3.042 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2c1c(F)ccc2O ZINC000756545354 1300519216 /nfs/dbraw/zinc/51/92/16/1300519216.db2.gz LUHCHYBPTSTEAF-LRDDRELGSA-N 1 0 338.386 3.450 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(Br)cc1O ZINC000756619262 1300533070 /nfs/dbraw/zinc/53/30/70/1300533070.db2.gz XCTZKMZKXRGIDO-VXGBXAGGSA-N 1 0 327.266 3.290 20 10 EGCDRO CCC[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000757851058 1300747315 /nfs/dbraw/zinc/74/73/15/1300747315.db2.gz ZMRHBMQYFDFDRL-KRWDZBQOSA-N 1 0 331.504 3.223 20 10 EGCDRO OC[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)C[C@H]1c1ccc(F)cc1 ZINC000758528160 1300904364 /nfs/dbraw/zinc/90/43/64/1300904364.db2.gz KAPOQTGQKOEHMC-WMZOPIPTSA-N 1 0 335.806 3.441 20 10 EGCDRO OC[C@]1(C[NH2+]Cc2c(O)cccc2Cl)C[C@@H]1c1ccc(F)cc1 ZINC000758529575 1300904723 /nfs/dbraw/zinc/90/47/23/1300904723.db2.gz QGERVCUCOPTPAD-CRAIPNDOSA-N 1 0 335.806 3.441 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000761216594 1301422683 /nfs/dbraw/zinc/42/26/83/1301422683.db2.gz SYCAVIGVXYMMID-OAHLLOKOSA-N 1 0 325.836 3.445 20 10 EGCDRO Cc1cc(Cn2cc(C[NH2+]C3CCCCC3)nn2)ccc1N(C)C ZINC000881378202 1301546494 /nfs/dbraw/zinc/54/64/94/1301546494.db2.gz IHVIJELLMBDZQG-UHFFFAOYSA-N 1 0 327.476 3.123 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000762611938 1301712896 /nfs/dbraw/zinc/71/28/96/1301712896.db2.gz DNMPDTJKJAUHHV-VNQPRFMTSA-N 1 0 325.499 3.260 20 10 EGCDRO C/C(=C\C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000881850865 1301742815 /nfs/dbraw/zinc/74/28/15/1301742815.db2.gz JBHLCXSGWXYVDI-JQIJEIRASA-N 1 0 329.488 3.047 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000763384548 1301891407 /nfs/dbraw/zinc/89/14/07/1301891407.db2.gz RVCHKZIBUJHZAD-OAHLLOKOSA-N 1 0 339.501 3.007 20 10 EGCDRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc2ccccc2c1O ZINC000763559546 1301923705 /nfs/dbraw/zinc/92/37/05/1301923705.db2.gz SZTDFWRZILUUOU-AUUYWEPGSA-N 1 0 329.440 3.374 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763653976 1301940720 /nfs/dbraw/zinc/94/07/20/1301940720.db2.gz ZPSAAJVOZOZNPF-SFHVURJKSA-N 1 0 328.456 3.204 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)cc1 ZINC000764742954 1302126162 /nfs/dbraw/zinc/12/61/62/1302126162.db2.gz LJPIRTOOGBIWIC-YLJYHZDGSA-N 1 0 333.520 3.150 20 10 EGCDRO CC[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764741401 1302126542 /nfs/dbraw/zinc/12/65/42/1302126542.db2.gz CUTWVYRMTDBCHL-ZWOKBUDYSA-N 1 0 333.520 3.293 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c(O)c1 ZINC000764979680 1302179810 /nfs/dbraw/zinc/17/98/10/1302179810.db2.gz NOVROTPRRPPJQR-SFHVURJKSA-N 1 0 335.831 3.442 20 10 EGCDRO C[NH+](C)CCC(=O)Nc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000883058757 1302225420 /nfs/dbraw/zinc/22/54/20/1302225420.db2.gz ARNYRQXJENLDLR-UHFFFAOYSA-N 1 0 349.381 3.173 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765254516 1302228573 /nfs/dbraw/zinc/22/85/73/1302228573.db2.gz NFZUZGOYJYLYNB-HUUCEWRRSA-N 1 0 338.879 3.254 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000765286615 1302238105 /nfs/dbraw/zinc/23/81/05/1302238105.db2.gz FBBKKCMLIRUUAC-UYAOXDASSA-N 1 0 346.446 3.372 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883146162 1302271725 /nfs/dbraw/zinc/27/17/25/1302271725.db2.gz CNRHQWDYCXQCTH-CQSZACIVSA-N 1 0 340.423 3.481 20 10 EGCDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765728606 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ZINC000775837340 1304048177 /nfs/dbraw/zinc/04/81/77/1304048177.db2.gz RKFSWRVWTITDSU-CYBMUJFWSA-N 1 0 344.459 3.327 20 10 EGCDRO CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000776133923 1304101437 /nfs/dbraw/zinc/10/14/37/1304101437.db2.gz BOVNAXFWFWWGQP-APWZRJJASA-N 1 0 346.519 3.233 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CC2(CCO)CCCC2)c1O ZINC000776221550 1304116617 /nfs/dbraw/zinc/11/66/17/1304116617.db2.gz XGPHGOKZIAIYFW-UHFFFAOYSA-N 1 0 342.277 3.496 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000776863277 1304213507 /nfs/dbraw/zinc/21/35/07/1304213507.db2.gz AKSMJDHTRYPPKC-IHRRRGAJSA-N 1 0 338.423 3.439 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2CCO)ccc1N1CCCCC1 ZINC000778217403 1304421644 /nfs/dbraw/zinc/42/16/44/1304421644.db2.gz ZWMGMYFOEUYENB-IRXDYDNUSA-N 1 0 347.459 3.226 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)c1O ZINC000779605802 1304586345 /nfs/dbraw/zinc/58/63/45/1304586345.db2.gz ZHXUAXGCAJXTPD-HNNXBMFYSA-N 1 0 335.444 3.202 20 10 EGCDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)n1 ZINC000780740519 1304732441 /nfs/dbraw/zinc/73/24/41/1304732441.db2.gz QRSUIVGJGQRKOM-OAHLLOKOSA-N 1 0 327.476 3.387 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000780747034 1304734444 /nfs/dbraw/zinc/73/44/44/1304734444.db2.gz UXDNLZZYKJPXIQ-YQQAZPJKSA-N 1 0 336.451 3.128 20 10 EGCDRO COc1ccc(N(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC000780779408 1304738070 /nfs/dbraw/zinc/73/80/70/1304738070.db2.gz CAWGCHFGENAEST-UHFFFAOYSA-N 1 0 343.446 3.223 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c(O)c1O ZINC000780915263 1304751713 /nfs/dbraw/zinc/75/17/13/1304751713.db2.gz LKALSWZBIVKOKJ-UHFFFAOYSA-N 1 0 346.471 3.181 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000781396198 1304822871 /nfs/dbraw/zinc/82/28/71/1304822871.db2.gz JVLWEVKMFXHZPE-QGZVFWFLSA-N 1 0 337.467 3.474 20 10 EGCDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000781982406 1304898045 /nfs/dbraw/zinc/89/80/45/1304898045.db2.gz AWJWCGOKFNLVLL-GOSISDBHSA-N 1 0 331.504 3.079 20 10 EGCDRO C/C(=C/c1ccco1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245321 1304999367 /nfs/dbraw/zinc/99/93/67/1304999367.db2.gz COEFQAUJDHDMGI-ZDRDQBANSA-N 1 0 341.455 3.168 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CC=CCC2)[NH+](C)C)cc1 ZINC000891248923 1305000403 /nfs/dbraw/zinc/00/04/03/1305000403.db2.gz OQSPVDAYPUJVKM-ICSRJNTNSA-N 1 0 329.488 3.218 20 10 EGCDRO COCC[N@H+](CCc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000891678683 1305133112 /nfs/dbraw/zinc/13/31/12/1305133112.db2.gz LHIRLESRKWSACE-UHFFFAOYSA-N 1 0 345.439 3.101 20 10 EGCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892094318 1305248145 /nfs/dbraw/zinc/24/81/45/1305248145.db2.gz ANTSFRLLVDJJED-CQSZACIVSA-N 1 0 343.423 3.408 20 10 EGCDRO COc1ccc(C[NH2+]CCc2cccc3cccnc32)c(O)c1OC ZINC000892544955 1305433153 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COc1cc(C)cc(C[NH2+]CCc2cccc(OC)c2OC)c1O ZINC000894194274 1306270295 /nfs/dbraw/zinc/27/02/95/1306270295.db2.gz QTQNMMDJONLLLJ-UHFFFAOYSA-N 1 0 331.412 3.059 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1nnc2n1CCCCC2 ZINC000894213219 1306280775 /nfs/dbraw/zinc/28/07/75/1306280775.db2.gz MSHJWRJBYYTGMS-OAHLLOKOSA-N 1 0 344.459 3.268 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1O ZINC000894236555 1306294080 /nfs/dbraw/zinc/29/40/80/1306294080.db2.gz BGVROKGNPUUBFX-UHFFFAOYSA-N 1 0 338.448 3.056 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1C ZINC000791011402 1308910364 /nfs/dbraw/zinc/91/03/64/1308910364.db2.gz SAMQNRZMUZEFGJ-IBGZPJMESA-N 1 0 338.451 3.203 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000894562710 1308954454 /nfs/dbraw/zinc/95/44/54/1308954454.db2.gz XKSOIDYYCJGXTF-PXNSSMCTSA-N 1 0 345.414 3.104 20 10 EGCDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c(O)c1OC ZINC000894920503 1309127860 /nfs/dbraw/zinc/12/78/60/1309127860.db2.gz RDGHKEKUKLAIGC-GOSISDBHSA-N 1 0 335.444 3.046 20 10 EGCDRO CCOC(=O)C1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCCC1 ZINC000792197004 1309143059 /nfs/dbraw/zinc/14/30/59/1309143059.db2.gz YXLKXWDPSDHHDV-UHFFFAOYSA-N 1 0 341.835 3.267 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)c(C(F)(F)F)c1 ZINC000793029328 1309283576 /nfs/dbraw/zinc/28/35/76/1309283576.db2.gz UIRJMGTWOFLRBG-SNVBAGLBSA-N 1 0 344.299 3.174 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(O)c1OC ZINC000895405741 1309319271 /nfs/dbraw/zinc/31/92/71/1309319271.db2.gz PCKSYLGPUZQOGG-HOCLYGCPSA-N 1 0 335.444 3.191 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1OC ZINC000895774033 1309511970 /nfs/dbraw/zinc/51/19/70/1309511970.db2.gz CUVWEXHBEOYFRG-JTQLQIEISA-N 1 0 344.367 3.107 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(C)cc1O ZINC000794790244 1309595823 /nfs/dbraw/zinc/59/58/23/1309595823.db2.gz BJTBHIRCXQOHIM-QGZVFWFLSA-N 1 0 348.468 3.313 20 10 EGCDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000897422978 1310331559 /nfs/dbraw/zinc/33/15/59/1310331559.db2.gz SWVLXLKIZPSSME-UHFFFAOYSA-N 1 0 344.814 3.332 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC000800313063 1310732148 /nfs/dbraw/zinc/73/21/48/1310732148.db2.gz BSTAUVRYYKPSRR-OAQYLSRUSA-N 1 0 347.462 3.445 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CCOC1CCSCC1 ZINC000898434608 1310733456 /nfs/dbraw/zinc/73/34/56/1310733456.db2.gz OBQVKNOHVBAXRY-UHFFFAOYSA-N 1 0 346.290 3.157 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCCOc2cccc(F)c2)cc1OC ZINC000898446103 1310737941 /nfs/dbraw/zinc/73/79/41/1310737941.db2.gz XNDXUINIZHBUSS-UHFFFAOYSA-N 1 0 335.375 3.107 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1O ZINC000800994675 1310849841 /nfs/dbraw/zinc/84/98/41/1310849841.db2.gz YPDOMLOOVDIXLL-SJLPKXTDSA-N 1 0 338.451 3.277 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000824501321 1320262600 /nfs/dbraw/zinc/26/26/00/1320262600.db2.gz HLRNPJOVCBYULP-ZDUSSCGKSA-N 1 0 338.448 3.184 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc1Cl ZINC000826084155 1320382833 /nfs/dbraw/zinc/38/28/33/1320382833.db2.gz VUIPJDHMBIRDOA-GUYCJALGSA-N 1 0 335.835 3.097 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000801981731 1316973956 /nfs/dbraw/zinc/97/39/56/1316973956.db2.gz AJTFVINDYXMGBL-QGZVFWFLSA-N 1 0 347.503 3.436 20 10 EGCDRO CCC(CC)(CCO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000802656871 1317022714 /nfs/dbraw/zinc/02/27/14/1317022714.db2.gz WBRNSNDCUQDHOY-UHFFFAOYSA-N 1 0 330.266 3.494 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1OC ZINC000858087334 1328678129 /nfs/dbraw/zinc/67/81/29/1328678129.db2.gz WLXXJXDLOUNYPY-UHFFFAOYSA-N 1 0 336.382 3.338 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC4(CCC4)C3)C2)cc1C ZINC001019261229 1317134678 /nfs/dbraw/zinc/13/46/78/1317134678.db2.gz NKGPQXGVIJRUEE-SFHVURJKSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000805747599 1317417031 /nfs/dbraw/zinc/41/70/31/1317417031.db2.gz DAPZLKLGGTXWBM-WFASDCNBSA-N 1 0 335.831 3.308 20 10 EGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858160308 1328700086 /nfs/dbraw/zinc/70/00/86/1328700086.db2.gz IAHDHBPQRRYDTC-NSHDSACASA-N 1 0 343.418 3.034 20 10 EGCDRO OC[C@@H]([C@H]([NH2+]Cc1c(O)cccc1Br)C1CC1)C1CC1 ZINC000858172972 1328702952 /nfs/dbraw/zinc/70/29/52/1328702952.db2.gz MTNUAGINEFDQEB-CZUORRHYSA-N 1 0 340.261 3.041 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CC2=CCCOC2)ccc1N1CCCCC1 ZINC000808429919 1317676566 /nfs/dbraw/zinc/67/65/66/1317676566.db2.gz KCSIUPWEYNZYDE-UHFFFAOYSA-N 1 0 331.416 3.021 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1F ZINC000808452788 1317679746 /nfs/dbraw/zinc/67/97/46/1317679746.db2.gz QPJRSYIJRPHRCT-FXAWDEMLSA-N 1 0 344.430 3.256 20 10 EGCDRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000903447914 1317701382 /nfs/dbraw/zinc/70/13/82/1317701382.db2.gz GAIABDULRQEORU-JXFKEZNVSA-N 1 0 343.519 3.484 20 10 EGCDRO Cc1cncc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903447817 1317701449 /nfs/dbraw/zinc/70/14/49/1317701449.db2.gz CVOSCMKPFDVVPL-OXJNMPFZSA-N 1 0 326.488 3.410 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2nnc3ccccn32)c1O ZINC000808672045 1317712669 /nfs/dbraw/zinc/71/26/69/1317712669.db2.gz BAFMOFYFJNUXHQ-LBPRGKRZSA-N 1 0 330.819 3.290 20 10 EGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808715547 1317720359 /nfs/dbraw/zinc/72/03/59/1317720359.db2.gz VRTUTSCFFBDBGA-DGCLKSJQSA-N 1 0 326.824 3.235 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H](O)c3ccccc3)CC2)cc1 ZINC000808719084 1317721772 /nfs/dbraw/zinc/72/17/72/1317721772.db2.gz CQUUMCHDRQARHS-IIBYNOLFSA-N 1 0 340.467 3.376 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(N(C)C)cc3)[C@H]2C1 ZINC000808722413 1317723057 /nfs/dbraw/zinc/72/30/57/1317723057.db2.gz BUXFRMOPJFGEAL-UDDICAGYSA-N 1 0 329.488 3.050 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000808723413 1317723567 /nfs/dbraw/zinc/72/35/67/1317723567.db2.gz MSZOMEXWPIYPRR-ZIBCJSCZSA-N 1 0 343.515 3.440 20 10 EGCDRO COc1cccc(C[N@@H+](CCc2ccccc2)CCN(C)C)c1O ZINC000809731279 1317881958 /nfs/dbraw/zinc/88/19/58/1317881958.db2.gz SHGBLLJUWRIYPR-UHFFFAOYSA-N 1 0 328.456 3.007 20 10 EGCDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1O ZINC000809738231 1317885166 /nfs/dbraw/zinc/88/51/66/1317885166.db2.gz UNYBBMSPSXCXLB-UHFFFAOYSA-N 1 0 338.373 3.373 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)c1O ZINC000809740243 1317885757 /nfs/dbraw/zinc/88/57/57/1317885757.db2.gz QUXHILGXBNEJTJ-ZDUSSCGKSA-N 1 0 325.412 3.388 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000809748917 1317889322 /nfs/dbraw/zinc/88/93/22/1317889322.db2.gz GHDCTGJWALNXEK-OAHLLOKOSA-N 1 0 335.444 3.345 20 10 EGCDRO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H](O)C1CC1 ZINC000809752193 1317890044 /nfs/dbraw/zinc/89/00/44/1317890044.db2.gz PDORUVSXMSIXCU-FQEVSTJZSA-N 1 0 327.424 3.174 20 10 EGCDRO C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)CC1 ZINC000809755542 1317891380 /nfs/dbraw/zinc/89/13/80/1317891380.db2.gz JXGJMRMKNWMOIW-ZDUSSCGKSA-N 1 0 326.843 3.348 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3cccc(C)c3)C2)cc1 ZINC000905291050 1317945086 /nfs/dbraw/zinc/94/50/86/1317945086.db2.gz OEMBZMKZFDSNLA-DYESRHJHSA-N 1 0 340.467 3.153 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1F ZINC000810165464 1317966431 /nfs/dbraw/zinc/96/64/31/1317966431.db2.gz SXERKXLYPSGAEC-PXNSSMCTSA-N 1 0 328.431 3.148 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(Cl)ccc1O ZINC000810243973 1317985635 /nfs/dbraw/zinc/98/56/35/1317985635.db2.gz WHIVMIYOWNAENA-MRXNPFEDSA-N 1 0 332.831 3.314 20 10 EGCDRO CCCCN(C)C[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000810245063 1317985902 /nfs/dbraw/zinc/98/59/02/1317985902.db2.gz PCQPUBGDKNWJFQ-QGZVFWFLSA-N 1 0 333.520 3.374 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C)cc3)C2)cc1C ZINC001020969605 1318021930 /nfs/dbraw/zinc/02/19/30/1318021930.db2.gz OLLLLOVWKZSAQG-WGSAOQKQSA-N 1 0 338.451 3.363 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1Cc2ccccc2C1 ZINC000811454445 1318177854 /nfs/dbraw/zinc/17/78/54/1318177854.db2.gz LAHSQKUJDSMCMG-UHFFFAOYSA-N 1 0 336.479 3.370 20 10 EGCDRO Cc1ccc2c(c1)/C(=C/c1ccc(N3CC[NH+](C)CC3)cc1)C(=O)N2C ZINC000811700173 1318231062 /nfs/dbraw/zinc/23/10/62/1318231062.db2.gz HMDXFLWSDJYSDL-HKWRFOASSA-N 1 0 347.462 3.264 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1O ZINC000811784200 1318264720 /nfs/dbraw/zinc/26/47/20/1318264720.db2.gz QEGOJTGKYNWXIW-SFHVURJKSA-N 1 0 338.451 3.346 20 10 EGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)c1 ZINC000811799606 1318268829 /nfs/dbraw/zinc/26/88/29/1318268829.db2.gz YHPBPHVSVBBJKH-MRXNPFEDSA-N 1 0 329.444 3.347 20 10 EGCDRO COc1ccc(O)c(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c1 ZINC000811806430 1318269387 /nfs/dbraw/zinc/26/93/87/1318269387.db2.gz WKXVOKUDJGKYBC-UHFFFAOYSA-N 1 0 339.351 3.200 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(F)ccc1O ZINC000812741109 1318448052 /nfs/dbraw/zinc/44/80/52/1318448052.db2.gz QWGHWHDWEVFTFX-YPMHNXCESA-N 1 0 332.350 3.127 20 10 EGCDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CN1c1ccccc1F ZINC000812782611 1318453715 /nfs/dbraw/zinc/45/37/15/1318453715.db2.gz AHGWYMLPWJSTCC-ZDUSSCGKSA-N 1 0 334.778 3.080 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1 ZINC000858535025 1328790372 /nfs/dbraw/zinc/79/03/72/1328790372.db2.gz MWFPBSBTJAJLHP-DJKXOVBDSA-N 1 0 341.455 3.424 20 10 EGCDRO Cc1cc(C[N@H+](C)C[C@H](O)COCc2ccccc2)ccc1N(C)C ZINC000815047956 1318873128 /nfs/dbraw/zinc/87/31/28/1318873128.db2.gz NAVQELINSJTPOM-FQEVSTJZSA-N 1 0 342.483 3.071 20 10 EGCDRO Cc1cc(C[NH+]2CCC(N(C)CC(F)F)CC2)ccc1N(C)C ZINC000815070733 1318881781 /nfs/dbraw/zinc/88/17/81/1318881781.db2.gz AJBVHUYGEBBEPB-UHFFFAOYSA-N 1 0 325.447 3.222 20 10 EGCDRO Cc1cc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)ccc1N(C)C ZINC000815082321 1318884261 /nfs/dbraw/zinc/88/42/61/1318884261.db2.gz KTLVWKKCTQCXRY-LJQANCHMSA-N 1 0 339.483 3.370 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000815117729 1318898161 /nfs/dbraw/zinc/89/81/61/1318898161.db2.gz PGPUPNBXZDPCIB-MRXNPFEDSA-N 1 0 330.394 3.422 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CC2CCCCC2)cc1 ZINC000913041489 1318965639 /nfs/dbraw/zinc/96/56/39/1318965639.db2.gz PTXSOMGBIHBPII-UHFFFAOYSA-N 1 0 331.504 3.223 20 10 EGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1COCCO1 ZINC000815561406 1319016516 /nfs/dbraw/zinc/01/65/16/1319016516.db2.gz GGVMIMHISVBEIJ-IEBWSBKVSA-N 1 0 327.424 3.071 20 10 EGCDRO C[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)S(C)(=O)=O ZINC000815597876 1319023883 /nfs/dbraw/zinc/02/38/83/1319023883.db2.gz IAPBAVRDGHNKQP-QAPCUYQASA-N 1 0 347.480 3.089 20 10 EGCDRO CC[C@H](NCc1ncn(-c2ccccc2)n1)c1ccc(F)cc1O ZINC000815658322 1319039329 /nfs/dbraw/zinc/03/93/29/1319039329.db2.gz ZCCYUSSDJWWKFR-INIZCTEOSA-N 1 0 326.375 3.353 20 10 EGCDRO CC(C)C(=O)N1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816493826 1319166399 /nfs/dbraw/zinc/16/63/99/1319166399.db2.gz OUZLMLGQSOADIH-UHFFFAOYSA-N 1 0 326.440 3.236 20 10 EGCDRO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816536310 1319177131 /nfs/dbraw/zinc/17/71/31/1319177131.db2.gz RFTQDIJBKFNKSX-UHFFFAOYSA-N 1 0 334.419 3.294 20 10 EGCDRO COCCCN1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816545349 1319180140 /nfs/dbraw/zinc/18/01/40/1319180140.db2.gz NASVKJOTCZGDNM-UHFFFAOYSA-N 1 0 328.456 3.136 20 10 EGCDRO CN(C(=O)C[NH2+]Cc1ccc2ccccc2c1O)C1CCCCC1 ZINC000816555684 1319181359 /nfs/dbraw/zinc/18/13/59/1319181359.db2.gz NCRYWRHKHLZFGQ-UHFFFAOYSA-N 1 0 326.440 3.426 20 10 EGCDRO Oc1c(C[NH2+][C@H]2CCN(c3ncccc3F)C2)ccc2ccccc21 ZINC000816557364 1319181850 /nfs/dbraw/zinc/18/18/50/1319181850.db2.gz NRYVKECYZHTDJF-INIZCTEOSA-N 1 0 337.398 3.448 20 10 EGCDRO CN(Cc1c(F)ccc(O)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000816569339 1319185672 /nfs/dbraw/zinc/18/56/72/1319185672.db2.gz IDQBCCGMNCXPFU-UHFFFAOYSA-N 1 0 336.382 3.247 20 10 EGCDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817412571 1319352400 /nfs/dbraw/zinc/35/24/00/1319352400.db2.gz MUNHMCNTHUQXRX-NVXWUHKLSA-N 1 0 347.459 3.035 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000817413372 1319353702 /nfs/dbraw/zinc/35/37/02/1319353702.db2.gz XBWOKAPKQGLMFD-UONOGXRCSA-N 1 0 335.444 3.343 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CCCC2(O)CCC2)c1O ZINC000817415594 1319355378 /nfs/dbraw/zinc/35/53/78/1319355378.db2.gz ZMZCUHJDJZLILY-UHFFFAOYSA-N 1 0 328.250 3.248 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817939294 1319466489 /nfs/dbraw/zinc/46/64/89/1319466489.db2.gz BAWGMGZGQGYSHR-MOPGFXCFSA-N 1 0 343.446 3.395 20 10 EGCDRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)CCC2 ZINC000817940647 1319468159 /nfs/dbraw/zinc/46/81/59/1319468159.db2.gz GKCFSBJEYCTBAJ-HOTGVXAUSA-N 1 0 330.501 3.185 20 10 EGCDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940274 1319468494 /nfs/dbraw/zinc/46/84/94/1319468494.db2.gz FHXQBWWQAARFTC-YSGRDPCXSA-N 1 0 327.472 3.118 20 10 EGCDRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940277 1319468887 /nfs/dbraw/zinc/46/88/87/1319468887.db2.gz FIQGCHWUOOUOLX-OXJNMPFZSA-N 1 0 326.488 3.148 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000817941033 1319469942 /nfs/dbraw/zinc/46/99/42/1319469942.db2.gz IKEDHTBMIYJYJZ-HOTGVXAUSA-N 1 0 349.400 3.447 20 10 EGCDRO COC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000817944246 1319472307 /nfs/dbraw/zinc/47/23/07/1319472307.db2.gz YJVUOZAPGMAQGF-RTBURBONSA-N 1 0 349.425 3.008 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817960623 1319478549 /nfs/dbraw/zinc/47/85/49/1319478549.db2.gz OLFLWQBBERXISA-PKFCDNJMSA-N 1 0 345.256 3.462 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(Br)ncc1F ZINC000817957505 1319476217 /nfs/dbraw/zinc/47/62/17/1319476217.db2.gz MNHQDRSTWJZVBM-SNVBAGLBSA-N 1 0 338.224 3.459 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817965908 1319479144 /nfs/dbraw/zinc/47/91/44/1319479144.db2.gz WXDIFXPLOAYCAP-JVXZTZIISA-N 1 0 333.657 3.196 20 10 EGCDRO C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817965263 1319479297 /nfs/dbraw/zinc/47/92/97/1319479297.db2.gz SFLWSDGHFPBILH-MRVPVSSYSA-N 1 0 333.657 3.340 20 10 EGCDRO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817965739 1319480007 /nfs/dbraw/zinc/48/00/07/1319480007.db2.gz ZPMSJECVUNBDDM-JTQLQIEISA-N 1 0 345.256 3.334 20 10 EGCDRO CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817974942 1319482557 /nfs/dbraw/zinc/48/25/57/1319482557.db2.gz OOBNEPIGMXYUOY-HNNXBMFYSA-N 1 0 326.868 3.103 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)cc(F)c1[O-] ZINC000817976569 1319483762 /nfs/dbraw/zinc/48/37/62/1319483762.db2.gz NUFVIWOQMOUTNW-RNCFNFMXSA-N 1 0 343.240 3.087 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983207 1319485715 /nfs/dbraw/zinc/48/57/15/1319485715.db2.gz ZIWVIGGNHFTABG-BXUZGUMPSA-N 1 0 333.259 3.118 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cncn3C(C)C)CC2)cc1 ZINC000818190408 1319515078 /nfs/dbraw/zinc/51/50/78/1319515078.db2.gz FBRGYWMFIUOXPK-UHFFFAOYSA-N 1 0 328.460 3.231 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(OC)c(O)c3)C2)cc1 ZINC000818220078 1319521285 /nfs/dbraw/zinc/52/12/85/1319521285.db2.gz ITLSXZCWWFUAKK-INIZCTEOSA-N 1 0 342.439 3.026 20 10 EGCDRO CCC1(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1 ZINC000818221407 1319521442 /nfs/dbraw/zinc/52/14/42/1319521442.db2.gz LZUZFIBZIDUYDP-KRWDZBQOSA-N 1 0 332.488 3.318 20 10 EGCDRO O=C(CCCc1ccccc1)NCC[NH2+]Cc1c(O)cccc1Cl ZINC000818226093 1319522999 /nfs/dbraw/zinc/52/29/99/1319522999.db2.gz ZEOLPILGAIOAQH-UHFFFAOYSA-N 1 0 346.858 3.274 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000818222445 1319523171 /nfs/dbraw/zinc/52/31/71/1319523171.db2.gz SWRXYDVMVIGUHT-MRXNPFEDSA-N 1 0 341.455 3.105 20 10 EGCDRO CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341615 1319530490 /nfs/dbraw/zinc/53/04/90/1319530490.db2.gz BUPMBRVYVJDUCV-HZPDHXFCSA-N 1 0 328.460 3.089 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C2)cc1 ZINC000818341864 1319530905 /nfs/dbraw/zinc/53/09/05/1319530905.db2.gz HWBXMIRHPDIZPX-HOTGVXAUSA-N 1 0 348.487 3.231 20 10 EGCDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000818953876 1319587937 /nfs/dbraw/zinc/58/79/37/1319587937.db2.gz OEPVFTWRGMMULW-FQEVSTJZSA-N 1 0 340.467 3.125 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1c(F)cccc1F ZINC000819094202 1319632888 /nfs/dbraw/zinc/63/28/88/1319632888.db2.gz BNQKMRXHANCRGX-GOSISDBHSA-N 1 0 330.378 3.164 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000819377464 1319713692 /nfs/dbraw/zinc/71/36/92/1319713692.db2.gz QNHSRXQAOMZSIN-YLJYHZDGSA-N 1 0 342.483 3.022 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CCC3(C)C)C2)cc1C ZINC000962204701 1319858814 /nfs/dbraw/zinc/85/88/14/1319858814.db2.gz SPWCYVIIMDCUDS-DAWZGUTISA-N 1 0 344.499 3.424 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000918118720 1319919049 /nfs/dbraw/zinc/91/90/49/1319919049.db2.gz CNDAQXOLCZWJKQ-KRWDZBQOSA-N 1 0 346.519 3.206 20 10 EGCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H](OC)c1ccccc1 ZINC000823575944 1320187635 /nfs/dbraw/zinc/18/76/35/1320187635.db2.gz FECNEVXNOSNASV-LJQANCHMSA-N 1 0 343.423 3.145 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)OCCCCO3)c1 ZINC000823871078 1320213234 /nfs/dbraw/zinc/21/32/34/1320213234.db2.gz CHNUKRNKKUWHNR-UHFFFAOYSA-N 1 0 329.396 3.242 20 10 EGCDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000824085946 1320228010 /nfs/dbraw/zinc/22/80/10/1320228010.db2.gz REYGDHXKQKVRQM-DLBZAZTESA-N 1 0 329.488 3.057 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1Cl ZINC000824817988 1320288372 /nfs/dbraw/zinc/28/83/72/1320288372.db2.gz FCTKDWYZSJZBNN-QGZVFWFLSA-N 1 0 349.862 3.033 20 10 EGCDRO CC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)N1CCCC1 ZINC000825103437 1320310358 /nfs/dbraw/zinc/31/03/58/1320310358.db2.gz YEWGGACIIYSRCJ-AWEZNQCLSA-N 1 0 327.266 3.119 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCC[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000825133263 1320313873 /nfs/dbraw/zinc/31/38/73/1320313873.db2.gz BEQJKRLTTYRYMA-INIZCTEOSA-N 1 0 347.459 3.491 20 10 EGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1F ZINC000825166532 1320316282 /nfs/dbraw/zinc/31/62/82/1320316282.db2.gz BUCUXOAAJBANRS-UHFFFAOYSA-N 1 0 342.414 3.285 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1cccs1 ZINC000825291848 1320324261 /nfs/dbraw/zinc/32/42/61/1320324261.db2.gz QSRNEEOUQCDGMZ-AWEZNQCLSA-N 1 0 342.258 3.214 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1)C(=O)NC ZINC000825315903 1320326760 /nfs/dbraw/zinc/32/67/60/1320326760.db2.gz HHBDIGHDTYFQLZ-FQEVSTJZSA-N 1 0 339.483 3.327 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000825353968 1320331406 /nfs/dbraw/zinc/33/14/06/1320331406.db2.gz QEDMVDQTGATFNH-XJKSGUPXSA-N 1 0 327.877 3.498 20 10 EGCDRO C[C@@H](CO)[N@@H+](Cc1ccc(Br)cc1O)CC1CCC1 ZINC000825815582 1320364364 /nfs/dbraw/zinc/36/43/64/1320364364.db2.gz CWPDRAYHHQDYFR-NSHDSACASA-N 1 0 328.250 3.138 20 10 EGCDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825939944 1320372868 /nfs/dbraw/zinc/37/28/68/1320372868.db2.gz JBTRZPUFCJYVQG-ZDUSSCGKSA-N 1 0 326.824 3.065 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(Cl)c(C)cc3O)[C@H]2C1 ZINC000825944144 1320373727 /nfs/dbraw/zinc/37/37/27/1320373727.db2.gz RDAHFGGSXAQCRH-QRTARXTBSA-N 1 0 336.863 3.091 20 10 EGCDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826089289 1320382712 /nfs/dbraw/zinc/38/27/12/1320382712.db2.gz CLPVTJPVWWJCOB-CYBMUJFWSA-N 1 0 328.250 3.138 20 10 EGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000826902177 1320412840 /nfs/dbraw/zinc/41/28/40/1320412840.db2.gz IHBYOTYXGPZZLS-UHFFFAOYSA-N 1 0 325.449 3.076 20 10 EGCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(Br)cc1O ZINC000827250952 1320438089 /nfs/dbraw/zinc/43/80/89/1320438089.db2.gz CNFYNUOWRLIUSB-UHFFFAOYSA-N 1 0 336.233 3.055 20 10 EGCDRO CC/C(C)=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311352 1320442949 /nfs/dbraw/zinc/44/29/49/1320442949.db2.gz YWADCTHSTQTSAX-LRFDDAOPSA-N 1 0 336.863 3.483 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C2CC2)cc1 ZINC000838794686 1320818158 /nfs/dbraw/zinc/81/81/58/1320818158.db2.gz YRCJBXCKUISGSU-UHFFFAOYSA-N 1 0 338.455 3.290 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000838983554 1320846798 /nfs/dbraw/zinc/84/67/98/1320846798.db2.gz VZVPRUSFHPJLJF-QGZVFWFLSA-N 1 0 335.444 3.105 20 10 EGCDRO CCOc1cc(C[NH2+]Cc2cccc(OC)c2O)cc(Cl)c1O ZINC000839095810 1320869393 /nfs/dbraw/zinc/86/93/93/1320869393.db2.gz JAMICSVSGZJTKO-UHFFFAOYSA-N 1 0 337.803 3.448 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000840828018 1321157778 /nfs/dbraw/zinc/15/77/78/1321157778.db2.gz OASKPNDXSXQFKJ-SJLPKXTDSA-N 1 0 329.488 3.244 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000840866063 1321165221 /nfs/dbraw/zinc/16/52/21/1321165221.db2.gz IJQWJMWZZOHQAP-BXUZGUMPSA-N 1 0 349.427 3.273 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000840890800 1321171888 /nfs/dbraw/zinc/17/18/88/1321171888.db2.gz OPPHRJIRRASYLA-MNOVXSKESA-N 1 0 343.265 3.027 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1O ZINC000840957731 1321186272 /nfs/dbraw/zinc/18/62/72/1321186272.db2.gz DGNFJBUHCPYQRE-KWQFWETISA-N 1 0 332.263 3.147 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956194 1321185313 /nfs/dbraw/zinc/18/53/13/1321185313.db2.gz LRWARCMXDUSZSI-CVEARBPZSA-N 1 0 348.240 3.463 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000840957202 1321186291 /nfs/dbraw/zinc/18/62/91/1321186291.db2.gz JESUHIVQJPICFL-HOTGVXAUSA-N 1 0 333.815 3.362 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cc1F ZINC000840960510 1321187304 /nfs/dbraw/zinc/18/73/04/1321187304.db2.gz IUQOTGGYUBMXNF-MRXNPFEDSA-N 1 0 345.418 3.102 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)cc1OC ZINC000840977322 1321192144 /nfs/dbraw/zinc/19/21/44/1321192144.db2.gz GYDLATBPUWPNTB-SJORKVTESA-N 1 0 337.460 3.481 20 10 EGCDRO COc1ccc(Br)c(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000841036492 1321206191 /nfs/dbraw/zinc/20/61/91/1321206191.db2.gz SSVUGEKRCQLQHS-UHFFFAOYSA-N 1 0 335.245 3.372 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](N)c2ccccc2)c1O ZINC000841037399 1321206235 /nfs/dbraw/zinc/20/62/35/1321206235.db2.gz PSHFRSDRDJFRKZ-OAHLLOKOSA-N 1 0 335.245 3.253 20 10 EGCDRO CC(C)C[C@@H](C[NH3+])NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841038171 1321206408 /nfs/dbraw/zinc/20/64/08/1321206408.db2.gz GTWMZENVPHUAEF-INIZCTEOSA-N 1 0 334.464 3.048 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000841040981 1321207990 /nfs/dbraw/zinc/20/79/90/1321207990.db2.gz WTKUBGMAVFRPRP-QGZVFWFLSA-N 1 0 348.288 3.305 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2coc(-c3ccccc3)n2)cc1 ZINC000841044834 1321208232 /nfs/dbraw/zinc/20/82/32/1321208232.db2.gz YWTQUDCFZSLDEJ-IBGZPJMESA-N 1 0 336.439 3.197 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1Cl ZINC000841043949 1321208254 /nfs/dbraw/zinc/20/82/54/1321208254.db2.gz RRCCSANMACSPFO-QGZVFWFLSA-N 1 0 333.863 3.204 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ncc(C(C)(C)C)s2)cc1 ZINC000841044386 1321208432 /nfs/dbraw/zinc/20/84/32/1321208432.db2.gz WIJQZPPGEPKLAV-HNNXBMFYSA-N 1 0 332.517 3.296 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000841073738 1321214177 /nfs/dbraw/zinc/21/41/77/1321214177.db2.gz WXZGPNAKOHLFMJ-ZDUSSCGKSA-N 1 0 327.266 3.085 20 10 EGCDRO Nc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000841301415 1321249670 /nfs/dbraw/zinc/24/96/70/1321249670.db2.gz OELUTYUDTYLIES-CQSZACIVSA-N 1 0 344.484 3.364 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841751179 1321306143 /nfs/dbraw/zinc/30/61/43/1321306143.db2.gz MDHPHICKNFGWAV-YLQAJVPDSA-N 1 0 335.831 3.181 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1(O)CCOCC1 ZINC000841890905 1321327257 /nfs/dbraw/zinc/32/72/57/1321327257.db2.gz SPQUWIOGLBWVKZ-UHFFFAOYSA-N 1 0 346.515 3.334 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000841893726 1321327709 /nfs/dbraw/zinc/32/77/09/1321327709.db2.gz OMXKJQKBWPCGKE-IBGZPJMESA-N 1 0 332.513 3.241 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000841984074 1321333473 /nfs/dbraw/zinc/33/34/73/1321333473.db2.gz AXLZUFBHKUGBLF-IBGZPJMESA-N 1 0 346.519 3.192 20 10 EGCDRO COCCn1c(C)c(C)c2cc(-c3nc(C4([NH3+])CCC4)no3)ccc21 ZINC000842617342 1321407157 /nfs/dbraw/zinc/40/71/57/1321407157.db2.gz PZTVJMXXTXJBOI-UHFFFAOYSA-N 1 0 340.427 3.292 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)NCc1cccs1 ZINC000842750515 1321427673 /nfs/dbraw/zinc/42/76/73/1321427673.db2.gz ROFIRIUXZREBKM-MRXNPFEDSA-N 1 0 332.469 3.250 20 10 EGCDRO CCOc1cccc(C[NH2+]CCc2cn3c(cccc3C)n2)c1O ZINC000842782303 1321431152 /nfs/dbraw/zinc/43/11/52/1321431152.db2.gz HNHVRKRKXOUWCS-UHFFFAOYSA-N 1 0 325.412 3.079 20 10 EGCDRO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843123818 1321473392 /nfs/dbraw/zinc/47/33/92/1321473392.db2.gz PYTKTJDJUWOHKV-KRWDZBQOSA-N 1 0 346.475 3.288 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCCn1c2ccccc2[nH]c1=O ZINC000843349613 1321503535 /nfs/dbraw/zinc/50/35/35/1321503535.db2.gz FZMFPIPYWHMING-UHFFFAOYSA-N 1 0 336.439 3.044 20 10 EGCDRO COC(=O)c1cc(CN2CCCc3cc(C[NH3+])ccc32)c(C)s1 ZINC000843350741 1321504332 /nfs/dbraw/zinc/50/43/32/1321504332.db2.gz UIZWIFDQVSNCRX-UHFFFAOYSA-N 1 0 330.453 3.255 20 10 EGCDRO Cc1ccc(O)c(C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c1 ZINC000843413410 1321514289 /nfs/dbraw/zinc/51/42/89/1321514289.db2.gz HXPAYIZNNRMSEL-UHFFFAOYSA-N 1 0 349.471 3.413 20 10 EGCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1N1CCCCC1 ZINC000843421329 1321515413 /nfs/dbraw/zinc/51/54/13/1321515413.db2.gz XOJVUFVSPWJMIW-APWZRJJASA-N 1 0 345.443 3.196 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000843455146 1321520081 /nfs/dbraw/zinc/52/00/81/1321520081.db2.gz JETYEFKRHZAQKO-ZFWWWQNUSA-N 1 0 329.419 3.043 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000843487880 1321522202 /nfs/dbraw/zinc/52/22/02/1321522202.db2.gz LEGOQGNACGWXPR-BXWFABGCSA-N 1 0 338.451 3.480 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3c(c2)COC3)cc1 ZINC000844401141 1321600797 /nfs/dbraw/zinc/60/07/97/1321600797.db2.gz KORDIQGMRZPVGQ-UHFFFAOYSA-N 1 0 326.440 3.294 20 10 EGCDRO COC1CCN(c2ccc(CN(C)CC[NH+]3CCCCC3)cc2)CC1 ZINC000844465339 1321609893 /nfs/dbraw/zinc/60/98/93/1321609893.db2.gz YRDZXGUGHJXSDE-UHFFFAOYSA-N 1 0 345.531 3.220 20 10 EGCDRO C[NH+](C)CC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C(C)(C)C ZINC000844994454 1321666616 /nfs/dbraw/zinc/66/66/16/1321666616.db2.gz LYTHGGFJALNGSX-OAHLLOKOSA-N 1 0 341.883 3.211 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000846052500 1321764102 /nfs/dbraw/zinc/76/41/02/1321764102.db2.gz PACCSWQMUMLOAH-UHFFFAOYSA-N 1 0 341.455 3.222 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c1O ZINC000846138721 1321770540 /nfs/dbraw/zinc/77/05/40/1321770540.db2.gz XUUAOEOFHSTLQD-ZDUSSCGKSA-N 1 0 329.396 3.065 20 10 EGCDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846142233 1321770606 /nfs/dbraw/zinc/77/06/06/1321770606.db2.gz YFDVOKAGKOYOEN-AWEZNQCLSA-N 1 0 342.439 3.391 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)c1O ZINC000846142532 1321770633 /nfs/dbraw/zinc/77/06/33/1321770633.db2.gz FIXIOLDXOASYDL-CVEARBPZSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c1O ZINC000846138718 1321770717 /nfs/dbraw/zinc/77/07/17/1321770717.db2.gz XUUAOEOFHSTLQD-CYBMUJFWSA-N 1 0 329.396 3.065 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCn2c(C)nc3ccccc32)c1O ZINC000846139034 1321771001 /nfs/dbraw/zinc/77/10/01/1321771001.db2.gz ZXNXOLCMSYHEBA-CYBMUJFWSA-N 1 0 325.412 3.410 20 10 EGCDRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846155327 1321772800 /nfs/dbraw/zinc/77/28/00/1321772800.db2.gz WLEPAKFGRBJFRC-CYBMUJFWSA-N 1 0 347.411 3.148 20 10 EGCDRO CC[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)NC(=O)OC(C)(C)C ZINC000846171355 1321773658 /nfs/dbraw/zinc/77/36/58/1321773658.db2.gz RXQKPZSYNDMOOV-OLZOCXBDSA-N 1 0 338.448 3.355 20 10 EGCDRO COCCOCc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846170588 1321773726 /nfs/dbraw/zinc/77/37/26/1321773726.db2.gz PBAWQIIXKKDBOC-OAHLLOKOSA-N 1 0 345.439 3.415 20 10 EGCDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000846215837 1321776695 /nfs/dbraw/zinc/77/66/95/1321776695.db2.gz TXVJGKRJCWHEHX-PXNSSMCTSA-N 1 0 332.488 3.259 20 10 EGCDRO CC[N@H+](C)[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000846472136 1321787453 /nfs/dbraw/zinc/78/74/53/1321787453.db2.gz HLJMLUGZXWWTFS-KRWDZBQOSA-N 1 0 332.831 3.355 20 10 EGCDRO C[C@H](C[NH2+]Cc1cc(Br)ccc1O)C(=O)OC(C)(C)C ZINC000848566471 1321977586 /nfs/dbraw/zinc/97/75/86/1321977586.db2.gz YOPRFLYZVINMFA-SNVBAGLBSA-N 1 0 344.249 3.222 20 10 EGCDRO CCc1cccc(C[NH2+]CCc2c(OC)cc(OC)cc2OC)c1O ZINC000848896255 1322035851 /nfs/dbraw/zinc/03/58/51/1322035851.db2.gz WKLFLAALGQIVDY-UHFFFAOYSA-N 1 0 345.439 3.313 20 10 EGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1O ZINC000848918928 1322046298 /nfs/dbraw/zinc/04/62/98/1322046298.db2.gz BNESBFJJUWTIBR-IBGZPJMESA-N 1 0 338.451 3.093 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000850007799 1322180933 /nfs/dbraw/zinc/18/09/33/1322180933.db2.gz NTAPINMDBWVHRK-UHFFFAOYSA-N 1 0 342.439 3.087 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c(O)c(C(C)(C)C)c1 ZINC000850030701 1322185647 /nfs/dbraw/zinc/18/56/47/1322185647.db2.gz LSSFQIGVQRDKNI-ZWKOTPCHSA-N 1 0 332.488 3.415 20 10 EGCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850033474 1322186846 /nfs/dbraw/zinc/18/68/46/1322186846.db2.gz AVJNCJBWFQRZPJ-ZDUSSCGKSA-N 1 0 336.476 3.093 20 10 EGCDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850096918 1322192258 /nfs/dbraw/zinc/19/22/58/1322192258.db2.gz RUSPXDZKYBCBKY-QWHCGFSZSA-N 1 0 336.476 3.091 20 10 EGCDRO Cc1c[nH]c(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000850114317 1322193715 /nfs/dbraw/zinc/19/37/15/1322193715.db2.gz BXWCNRTWKJARIC-UHFFFAOYSA-N 1 0 336.386 3.078 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H](O)C(F)(F)F ZINC000850231967 1322211476 /nfs/dbraw/zinc/21/14/76/1322211476.db2.gz SKBGCHABSGLUAV-HIFRSBDPSA-N 1 0 349.393 3.490 20 10 EGCDRO COc1cc(C[NH2+]Cc2cnccc2OC)c(O)c(C(C)(C)C)c1 ZINC000850309492 1322225460 /nfs/dbraw/zinc/22/54/60/1322225460.db2.gz ITLGOSBGDIBMCH-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000850406268 1322240808 /nfs/dbraw/zinc/24/08/08/1322240808.db2.gz ZIUKPMHWKGHDNE-UHFFFAOYSA-N 1 0 328.431 3.385 20 10 EGCDRO CCOC(=O)NC1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000850430879 1322247261 /nfs/dbraw/zinc/24/72/61/1322247261.db2.gz QLWJXDMQHNHLQX-UHFFFAOYSA-N 1 0 345.487 3.216 20 10 EGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000850515372 1322259465 /nfs/dbraw/zinc/25/94/65/1322259465.db2.gz XCOVZICQVIGSFH-UGSOOPFHSA-N 1 0 331.412 3.448 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850556770 1322265716 /nfs/dbraw/zinc/26/57/16/1322265716.db2.gz LUXLGEBRPLBXMN-MAUKXSAKSA-N 1 0 331.504 3.440 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)c1O ZINC000850558082 1322267028 /nfs/dbraw/zinc/26/70/28/1322267028.db2.gz PUBYWGSVDQGONZ-BBRMVZONSA-N 1 0 338.879 3.258 20 10 EGCDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850566205 1322269148 /nfs/dbraw/zinc/26/91/48/1322269148.db2.gz LTKNGOGGOYKDSA-MRXNPFEDSA-N 1 0 342.487 3.276 20 10 EGCDRO NC(=O)C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(Cl)c1 ZINC000921970224 1322432002 /nfs/dbraw/zinc/43/20/02/1322432002.db2.gz JKKHTKYWYKGSMC-QGZVFWFLSA-N 1 0 344.842 3.371 20 10 EGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc(N2CCOCC2)c1 ZINC000922144047 1322465743 /nfs/dbraw/zinc/46/57/43/1322465743.db2.gz ADCPIAMPZOPSPW-UHFFFAOYSA-N 1 0 338.451 3.138 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2ccc3c(c2)ncn3C)ccc1OC ZINC000922482438 1322539352 /nfs/dbraw/zinc/53/93/52/1322539352.db2.gz MHLLRLSGYZVRGN-UHFFFAOYSA-N 1 0 339.439 3.408 20 10 EGCDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccncc1 ZINC000852043726 1323137470 /nfs/dbraw/zinc/13/74/70/1323137470.db2.gz HSKCGCCYWCXFLL-FQEVSTJZSA-N 1 0 341.455 3.024 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C=C(C)C)cc1C ZINC001024857023 1323751090 /nfs/dbraw/zinc/75/10/90/1323751090.db2.gz PZYUKXZRHMVLNH-GOSISDBHSA-N 1 0 330.472 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(F)=C(C)C)C2)cc1C ZINC001026774796 1325016277 /nfs/dbraw/zinc/01/62/77/1325016277.db2.gz GWXIXBSRMWRTOB-MRXNPFEDSA-N 1 0 334.435 3.205 20 10 EGCDRO C[NH+](C)CCCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854514699 1325271696 /nfs/dbraw/zinc/27/16/96/1325271696.db2.gz IBUKJZBABOHQQQ-UHFFFAOYSA-N 1 0 337.427 3.067 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1CO ZINC000857060997 1325564602 /nfs/dbraw/zinc/56/46/02/1325564602.db2.gz HSYSPIJYFYCPMI-VQIMIIECSA-N 1 0 341.451 3.422 20 10 EGCDRO OCCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926725074 1327684929 /nfs/dbraw/zinc/68/49/29/1327684929.db2.gz ODVNETADJGYFAH-GHTZIAJQSA-N 1 0 346.515 3.069 20 10 EGCDRO CCOCCOCC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000927088181 1327856216 /nfs/dbraw/zinc/85/62/16/1327856216.db2.gz WJHSKEZKPUJIHP-AWEZNQCLSA-N 1 0 346.265 3.249 20 10 EGCDRO CC(C)CO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862253232 1329471736 /nfs/dbraw/zinc/47/17/36/1329471736.db2.gz KDYCFUUCEQCWHU-LBPRGKRZSA-N 1 0 328.250 3.402 20 10 EGCDRO CC(C)[NH+]1CCC(N(C)Cc2c(O)cccc2Br)CC1 ZINC000862216006 1329466425 /nfs/dbraw/zinc/46/64/25/1329466425.db2.gz QEISIKCRMJBYPN-UHFFFAOYSA-N 1 0 341.293 3.459 20 10 EGCDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000862387174 1329481156 /nfs/dbraw/zinc/48/11/56/1329481156.db2.gz IGLMHJVDUCKWMQ-HNNXBMFYSA-N 1 0 335.448 3.178 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000862485548 1329490514 /nfs/dbraw/zinc/49/05/14/1329490514.db2.gz OYPZSISPSRCRGL-CJNGLKHVSA-N 1 0 335.444 3.201 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1Cl ZINC000862504824 1329491853 /nfs/dbraw/zinc/49/18/53/1329491853.db2.gz QFNVOSFFZMDEIV-UHFFFAOYSA-N 1 0 338.879 3.041 20 10 EGCDRO CN(c1ccc(CNC[C@@H](O)C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000863551311 1329562560 /nfs/dbraw/zinc/56/25/60/1329562560.db2.gz KDAHHDJPCSAXGQ-OAQYLSRUSA-N 1 0 345.531 3.002 20 10 EGCDRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1O ZINC000864425148 1329613620 /nfs/dbraw/zinc/61/36/20/1329613620.db2.gz UROCMBXKNGWHBT-OCCSQVGLSA-N 1 0 333.457 3.117 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)ccc1N1CCCCC1 ZINC000931998060 1329777616 /nfs/dbraw/zinc/77/76/16/1329777616.db2.gz SYHTYDJTHFUGLU-SFHVURJKSA-N 1 0 330.472 3.180 20 10 EGCDRO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028339784 1340576488 /nfs/dbraw/zinc/57/64/88/1340576488.db2.gz CCFGJVWLFJSZMJ-CZUORRHYSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(C3CC3)CC2)cc1C ZINC001034969002 1342856653 /nfs/dbraw/zinc/85/66/53/1342856653.db2.gz YQCZUQJVTLDGBM-GOSISDBHSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)C2CC2)cc1C ZINC001036482975 1343508475 /nfs/dbraw/zinc/50/84/75/1343508475.db2.gz CPBCYWZJHLITBK-KBXCAEBGSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C(C)(C)C)cc1C ZINC001037141252 1343990932 /nfs/dbraw/zinc/99/09/32/1343990932.db2.gz YKJXYSOVRWCGNC-SJORKVTESA-N 1 0 332.488 3.424 20 10 EGCDRO CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863387 1347136299 /nfs/dbraw/zinc/13/62/99/1347136299.db2.gz YJJHZNMCUGFYBL-UGSOOPFHSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2C)cc1C ZINC001048093266 1347463832 /nfs/dbraw/zinc/46/38/32/1347463832.db2.gz OSYYCWVHWPBGDV-QFBILLFUSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cccs3)C[C@H]2C)cc1C ZINC001054350419 1349329846 /nfs/dbraw/zinc/32/98/46/1349329846.db2.gz KERFLEGVBGJMKV-GDBMZVCRSA-N 1 0 344.480 3.315 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccoc3C)C[C@H]2C)cc1C ZINC001054371036 1349339227 /nfs/dbraw/zinc/33/92/27/1349339227.db2.gz VWTOGNRUGUEPEN-KDOFPFPSSA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccoc3C)C[C@@H]2C)cc1C ZINC001054371035 1349339666 /nfs/dbraw/zinc/33/96/66/1349339666.db2.gz VWTOGNRUGUEPEN-KBXCAEBGSA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CCC3)CC[C@H]2C)cc1C ZINC001072154398 1355155344 /nfs/dbraw/zinc/15/53/44/1355155344.db2.gz QDQMCKIFXWPGTJ-DNVCBOLYSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[C@H](F)C3)C2)cc1C ZINC001086179892 1359017171 /nfs/dbraw/zinc/01/71/71/1359017171.db2.gz VYDQOOSCGQMFDJ-BDXSIMOUSA-N 1 0 348.462 3.126 20 10 EGCDRO CC[C@@]1(C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086239497 1359036828 /nfs/dbraw/zinc/03/68/28/1359036828.db2.gz GFJYTWGCIRYTAL-IIMDRIAPSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)cc1C ZINC001086434998 1359096624 /nfs/dbraw/zinc/09/66/24/1359096624.db2.gz UFFSFXAPHLCZTP-NEYJZJCJSA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccsc3)C2)cc1C ZINC001090916744 1360953172 /nfs/dbraw/zinc/95/31/72/1360953172.db2.gz SBDWLMOREWOKOK-UHFFFAOYSA-N 1 0 344.480 3.363 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC=CCC3)C2)cc1C ZINC001090923070 1360954792 /nfs/dbraw/zinc/95/47/92/1360954792.db2.gz YUAGMLGIYVPSCI-JLAWEPINSA-N 1 0 342.483 3.344 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC001323991642 1387505418 /nfs/dbraw/zinc/50/54/18/1387505418.db2.gz RAWRJBLZDMFRIE-QSFXBCCZSA-N 1 0 349.494 3.186 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](C)C(C)C)C2)cc1C ZINC001100725044 1364236418 /nfs/dbraw/zinc/23/64/18/1364236418.db2.gz KIUINBWVURKHDD-ZLPCBKJTSA-N 1 0 332.488 3.280 20 10 EGCDRO CC(C)CN(C(=O)c1ccc(O)c(O)c1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001193247431 1367979120 /nfs/dbraw/zinc/97/91/20/1367979120.db2.gz YWPYTCVOJDQUDV-HAQNSBGRSA-N 1 0 340.851 3.119 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)c3cnn(C)c3C)cc2)CC1 ZINC001325191010 1387912635 /nfs/dbraw/zinc/91/26/35/1387912635.db2.gz BZFQWXFDJMQYQI-OAHLLOKOSA-N 1 0 342.487 3.195 20 10 EGCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)Oc1ccc(F)cc1 ZINC001195066141 1368370373 /nfs/dbraw/zinc/37/03/73/1368370373.db2.gz KJPNQZDYUAZWJM-UHFFFAOYSA-N 1 0 344.386 3.284 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001201606318 1369588420 /nfs/dbraw/zinc/58/84/20/1369588420.db2.gz XMCBRTYQMXUVBE-UHFFFAOYSA-N 1 0 340.467 3.077 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3ccc(C)cc3C)CC2)c1O ZINC001203596809 1370182787 /nfs/dbraw/zinc/18/27/87/1370182787.db2.gz NHQGJXAJGZDJPE-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1O ZINC001203601829 1370184018 /nfs/dbraw/zinc/18/40/18/1370184018.db2.gz MPOXQNZCVANUSE-MJGOQNOKSA-N 1 0 338.451 3.107 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(Oc3ccncc3)CC2)c1O ZINC001203603040 1370184902 /nfs/dbraw/zinc/18/49/02/1370184902.db2.gz HEHUPTZJIKBRAJ-UHFFFAOYSA-N 1 0 328.412 3.229 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCc3cc(C(=O)OC)ccc3C2)c1O ZINC001203603957 1370184928 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Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)o1 ZINC001204329176 1370445445 /nfs/dbraw/zinc/44/54/45/1370445445.db2.gz ZXFHMEGHBULQGI-QGZVFWFLSA-N 1 0 326.444 3.358 20 10 EGCDRO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001204329638 1370445659 /nfs/dbraw/zinc/44/56/59/1370445659.db2.gz SORHCUHCMNALPW-LJQANCHMSA-N 1 0 338.455 3.039 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)cc(O)c1O ZINC001204343605 1370448754 /nfs/dbraw/zinc/44/87/54/1370448754.db2.gz UQQIGGKYDIDMHI-QGZVFWFLSA-N 1 0 343.423 3.458 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205627739 1370817691 /nfs/dbraw/zinc/81/76/91/1370817691.db2.gz SDQGCTHJXZNAII-GHMZBOCLSA-N 1 0 345.256 3.101 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])CC[C@@H]1C[NH3+] ZINC001205638775 1370823620 /nfs/dbraw/zinc/82/36/20/1370823620.db2.gz RVPLFJFDIPLOAI-WDEREUQCSA-N 1 0 345.256 3.101 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205842185 1370890075 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CCOc1ccccc1CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001119946274 1371429080 /nfs/dbraw/zinc/42/90/80/1371429080.db2.gz ANKKPFXDSYTZBX-UHFFFAOYSA-N 1 0 331.412 3.140 20 10 EGCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209518172 1372127090 /nfs/dbraw/zinc/12/70/90/1372127090.db2.gz OJIWIHZFCJQQFR-LJQANCHMSA-N 1 0 325.456 3.195 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)cc1 ZINC001209518180 1372127104 /nfs/dbraw/zinc/12/71/04/1372127104.db2.gz OODPYNJGPVEWJX-LJQANCHMSA-N 1 0 339.483 3.394 20 10 EGCDRO C[C@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)CC[NH2+]1 ZINC001210499731 1372366897 /nfs/dbraw/zinc/36/68/97/1372366897.db2.gz WKWRTWZIHIUJOH-INIZCTEOSA-N 1 0 326.440 3.155 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001326461661 1388199068 /nfs/dbraw/zinc/19/90/68/1388199068.db2.gz WTYZRSSONGNIND-UHFFFAOYSA-N 1 0 336.395 3.025 20 10 EGCDRO CNc1cc(Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)cc[nH+]1 ZINC001216337714 1373302194 /nfs/dbraw/zinc/30/21/94/1373302194.db2.gz GSDYXVURMAGXAX-UHFFFAOYSA-N 1 0 344.374 3.225 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC(F)(F)C2)cc1C ZINC001128996159 1373332547 /nfs/dbraw/zinc/33/25/47/1373332547.db2.gz NRDBWQDDQGKBPO-AWEZNQCLSA-N 1 0 340.414 3.035 20 10 EGCDRO C[NH+](C)CCCC[C@H](N)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217713672 1373494122 /nfs/dbraw/zinc/49/41/22/1373494122.db2.gz CTIOHJSLIQMLAH-KRWDZBQOSA-N 1 0 339.443 3.259 20 10 EGCDRO C[C@@H](Oc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC[NH2+]CC1 ZINC001218009988 1373535411 /nfs/dbraw/zinc/53/54/11/1373535411.db2.gz PJLCIMTWFADFQN-CYBMUJFWSA-N 1 0 335.403 3.229 20 10 EGCDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001218025252 1373541363 /nfs/dbraw/zinc/54/13/63/1373541363.db2.gz RXUKHQQZKOQFKQ-DYVFJYSZSA-N 1 0 341.407 3.096 20 10 EGCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CCC34CC[NH2+]CC4)ccc21 ZINC001218078698 1373555959 /nfs/dbraw/zinc/55/59/59/1373555959.db2.gz AASQQCBUGBLIHA-IBGZPJMESA-N 1 0 347.414 3.373 20 10 EGCDRO O=C1c2ccccc2C(=O)c2cc(OC3CC4(C3)CC[NH2+]CC4)ccc21 ZINC001218106260 1373562459 /nfs/dbraw/zinc/56/24/59/1373562459.db2.gz NHINJFNIRARPEL-UHFFFAOYSA-N 1 0 347.414 3.373 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc3cccnc32)cc1C ZINC001130910583 1373606075 /nfs/dbraw/zinc/60/60/75/1373606075.db2.gz NATTYCMOGPZWHW-UHFFFAOYSA-N 1 0 349.434 3.071 20 10 EGCDRO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc(-n2cccc2)cc1 ZINC001219120432 1373689074 /nfs/dbraw/zinc/68/90/74/1373689074.db2.gz ZFQWQMGVHPNAFN-UHFFFAOYSA-N 1 0 346.434 3.139 20 10 EGCDRO Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC001219205306 1373694091 /nfs/dbraw/zinc/69/40/91/1373694091.db2.gz BJCODXFNHCEQKQ-TZRXRXQASA-N 1 0 338.411 3.238 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C=C(C)C)cc1C ZINC001224653098 1375070586 /nfs/dbraw/zinc/07/05/86/1375070586.db2.gz SSVSAFUROCYGFL-QZTJIDSGSA-N 1 0 330.472 3.487 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC(F)(F)C2)cc1C ZINC001133713586 1376170214 /nfs/dbraw/zinc/17/02/14/1376170214.db2.gz UFRRTNRKCZNTJB-OAHLLOKOSA-N 1 0 340.414 3.035 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cccn2C)cc1C ZINC001133754455 1376191279 /nfs/dbraw/zinc/19/12/79/1376191279.db2.gz MJKCOFUKVYKWCX-HOTGVXAUSA-N 1 0 343.471 3.029 20 10 EGCDRO COc1cc(F)ccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001231603955 1376276604 /nfs/dbraw/zinc/27/66/04/1376276604.db2.gz ROIMOTSXGKTBTE-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO Cc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)nc1 ZINC001231871247 1376334397 /nfs/dbraw/zinc/33/43/97/1376334397.db2.gz HFFAJVVSKGZMEX-CQSZACIVSA-N 1 0 333.819 3.106 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3cccc4c[nH]nc43)CC2)cc1 ZINC001231975856 1376367477 /nfs/dbraw/zinc/36/74/77/1376367477.db2.gz VKZRYJVRSDQMQI-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C=C2CCC2)cc1C ZINC001134114913 1376375467 /nfs/dbraw/zinc/37/54/67/1376375467.db2.gz OIAKKRRYPUVEEW-CVEARBPZSA-N 1 0 330.472 3.487 20 10 EGCDRO C[N@@H+]1CCN(Cc2cc(Cl)c(O)cc2O)[C@H](c2ccccc2)C1 ZINC001232260389 1376426421 /nfs/dbraw/zinc/42/64/21/1376426421.db2.gz PDPDMGCXCCWVFK-INIZCTEOSA-N 1 0 332.831 3.240 20 10 EGCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232270531 1376427612 /nfs/dbraw/zinc/42/76/12/1376427612.db2.gz DDOHKNPORFFPMH-LBPRGKRZSA-N 1 0 341.835 3.219 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(c3nnc(C)o3)CC2)cc1Cl ZINC001232269076 1376427743 /nfs/dbraw/zinc/42/77/43/1376427743.db2.gz QJHWIYYJQCDDCB-UHFFFAOYSA-N 1 0 337.807 3.125 20 10 EGCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232268358 1376428015 /nfs/dbraw/zinc/42/80/15/1376428015.db2.gz MRVUVHINLXIAAA-QGZVFWFLSA-N 1 0 341.835 3.219 20 10 EGCDRO COc1cc(O)c(CN2CCN(c3cc[nH+]cc3C)CC2)cc1Cl ZINC001232270501 1376428347 /nfs/dbraw/zinc/42/83/47/1376428347.db2.gz CHALDUBKFCDVCQ-UHFFFAOYSA-N 1 0 347.846 3.080 20 10 EGCDRO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+]3CCC3)c2)nc1C ZINC001232451823 1376462048 /nfs/dbraw/zinc/46/20/48/1376462048.db2.gz 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1376653349 /nfs/dbraw/zinc/65/33/49/1376653349.db2.gz VKDNKMJQGVGSPN-UHFFFAOYSA-N 1 0 331.387 3.397 20 10 EGCDRO C[NH+](C)CC[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1ccccc1 ZINC001233948771 1376742423 /nfs/dbraw/zinc/74/24/23/1376742423.db2.gz LGPKMBHJFHSAKX-GOSISDBHSA-N 1 0 339.395 3.113 20 10 EGCDRO CCN(CC)c1ccc(CN2CCCC[C@@]23CC[NH2+]C3)c(OC)c1 ZINC001235119758 1376850873 /nfs/dbraw/zinc/85/08/73/1376850873.db2.gz ZVDXTGYZGQGOOT-FQEVSTJZSA-N 1 0 331.504 3.259 20 10 EGCDRO CC(C)C[C@H]1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[NH2+]1 ZINC001235885005 1376911067 /nfs/dbraw/zinc/91/10/67/1376911067.db2.gz PTQJARKMMACWPK-INIZCTEOSA-N 1 0 330.472 3.396 20 10 EGCDRO CCN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CC[NH2+]C1 ZINC001235969845 1376924120 /nfs/dbraw/zinc/92/41/20/1376924120.db2.gz HAODDDFXPIRBHW-SFHVURJKSA-N 1 0 326.440 3.155 20 10 EGCDRO CCC[N@@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236843237 1376966985 /nfs/dbraw/zinc/96/69/85/1376966985.db2.gz MDYCTPWOOBNNHW-LLVKDONJSA-N 1 0 345.256 3.115 20 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/nfs/dbraw/zinc/88/06/11/1377880611.db2.gz DPOQXCBJISLTCG-UHFFFAOYSA-N 1 0 342.874 3.003 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN3CCC[C@H](F)C(F)(F)C3)cc2)CC1 ZINC001139408776 1377880623 /nfs/dbraw/zinc/88/06/23/1377880623.db2.gz QLBOABOLULFJPX-KRWDZBQOSA-N 1 0 341.421 3.008 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ccc1N(C)C ZINC001139673938 1377931265 /nfs/dbraw/zinc/93/12/65/1377931265.db2.gz NTMHJPUDHJWCAJ-UHFFFAOYSA-N 1 0 326.440 3.421 20 10 EGCDRO Cc1cncnc1OC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139674598 1377932174 /nfs/dbraw/zinc/93/21/74/1377932174.db2.gz XLNURCCBKLGAJT-UHFFFAOYSA-N 1 0 340.471 3.203 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]c3ncnc(Cl)c23)cc1 ZINC001139940481 1377979836 /nfs/dbraw/zinc/97/98/36/1377979836.db2.gz YRLPNZNQZNZWNX-UHFFFAOYSA-N 1 0 329.835 3.261 20 10 EGCDRO Oc1ccc(F)cc1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140054961 1377997119 /nfs/dbraw/zinc/99/71/19/1377997119.db2.gz BMKVWFVWZPDZSU-ROUUACIJSA-N 1 0 326.415 3.095 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001140056457 1377998344 /nfs/dbraw/zinc/99/83/44/1377998344.db2.gz XTCUFSZGGOUHPJ-CYBMUJFWSA-N 1 0 338.423 3.363 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC001140060038 1377998392 /nfs/dbraw/zinc/99/83/92/1377998392.db2.gz HWZWSQZPKQUMAT-UHFFFAOYSA-N 1 0 330.403 3.252 20 10 EGCDRO O=C1c2ccccc2CN1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060062 1377998455 /nfs/dbraw/zinc/99/84/55/1377998455.db2.gz JIVMZDGWFVVCHV-UHFFFAOYSA-N 1 0 340.398 3.152 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[NH+](Cc2cc(F)ccc2O)CCC1 ZINC001140060189 1377998600 /nfs/dbraw/zinc/99/86/00/1377998600.db2.gz ONSHEVMHFDOWQE-UHFFFAOYSA-N 1 0 338.423 3.364 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)CC[C@]1(C)O ZINC001140098613 1378007707 /nfs/dbraw/zinc/00/77/07/1378007707.db2.gz HWVBOBCDDHCFEM-ABAIWWIYSA-N 1 0 328.250 3.138 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001140101398 1378007714 /nfs/dbraw/zinc/00/77/14/1378007714.db2.gz RKEZXPFVWAJLTI-ZDUSSCGKSA-N 1 0 349.228 3.203 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c1O ZINC001140181897 1378026945 /nfs/dbraw/zinc/02/69/45/1378026945.db2.gz YYEACWQMTPQGSX-SFHVURJKSA-N 1 0 342.483 3.280 20 10 EGCDRO COc1cc(OC2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)ccn1 ZINC001140184605 1378027850 /nfs/dbraw/zinc/02/78/50/1378027850.db2.gz BIYIPUBLEQDZON-UHFFFAOYSA-N 1 0 342.439 3.456 20 10 EGCDRO Cc1cnc(O[C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC001140342768 1378049834 /nfs/dbraw/zinc/04/98/34/1378049834.db2.gz XUEFDJGIXOEFQY-CYBMUJFWSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1cc(O[C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC001140342565 1378050341 /nfs/dbraw/zinc/05/03/41/1378050341.db2.gz PINQEMROGSHRIN-CYBMUJFWSA-N 1 0 334.803 3.103 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]21 ZINC001140342031 1378050391 /nfs/dbraw/zinc/05/03/91/1378050391.db2.gz PBOOLPXMCOIIPE-SMDDNHRTSA-N 1 0 338.835 3.097 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140343977 1378050518 /nfs/dbraw/zinc/05/05/18/1378050518.db2.gz BNEABUOGDUUPAL-KBXCAEBGSA-N 1 0 337.847 3.206 20 10 EGCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)c1 ZINC001140464064 1378066688 /nfs/dbraw/zinc/06/66/88/1378066688.db2.gz AQIUBLOECNRYMD-HNNXBMFYSA-N 1 0 334.803 3.103 20 10 EGCDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001140473409 1378069384 /nfs/dbraw/zinc/06/93/84/1378069384.db2.gz AFXUKJPJDFVEKI-UHFFFAOYSA-N 1 0 345.487 3.340 20 10 EGCDRO O=C(NC1CCCC1)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001272618133 1378076497 /nfs/dbraw/zinc/07/64/97/1378076497.db2.gz BURHEQKUGYXDOA-QGZVFWFLSA-N 1 0 328.456 3.053 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140660521 1378108205 /nfs/dbraw/zinc/10/82/05/1378108205.db2.gz UUBARSNPFCPTOF-GASCZTMLSA-N 1 0 340.389 3.139 20 10 EGCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140748263 1378128796 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COc1cc(O)c(C[NH+]2CCN(c3ccc(C)cc3)CC2)c(OC)c1 ZINC001141032200 1378213747 /nfs/dbraw/zinc/21/37/47/1378213747.db2.gz VJAAZRDXZRZOHL-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](CC(=O)OC(C)(C)C)C3)ccc21 ZINC001141144992 1378248201 /nfs/dbraw/zinc/24/82/01/1378248201.db2.gz NQIXZOPIMSXXCQ-INIZCTEOSA-N 1 0 346.471 3.069 20 10 EGCDRO Oc1ccc(O)c(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001141158274 1378253446 /nfs/dbraw/zinc/25/34/46/1378253446.db2.gz WODMIRXJFLHRLT-XLIONFOSSA-N 1 0 338.451 3.194 20 10 EGCDRO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156492 1378253718 /nfs/dbraw/zinc/25/37/18/1378253718.db2.gz MFOPFABHVOPRAB-UHFFFAOYSA-N 1 0 332.831 3.382 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001142524954 1378453651 /nfs/dbraw/zinc/45/36/51/1378453651.db2.gz QXOBXSPICVMESP-IAGOWNOFSA-N 1 0 344.405 3.234 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c1O ZINC001143107710 1378542523 /nfs/dbraw/zinc/54/25/23/1378542523.db2.gz BEJACLXOJLMJTA-UHFFFAOYSA-N 1 0 342.483 3.277 20 10 EGCDRO C[N@H+](Cc1cc2cccnc2[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001143220769 1378564094 /nfs/dbraw/zinc/56/40/94/1378564094.db2.gz RLOHQDDFQNWLIV-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO COc1ccccc1S[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515686 1378739844 /nfs/dbraw/zinc/73/98/44/1378739844.db2.gz VTASDQISSALOOF-CYBMUJFWSA-N 1 0 347.436 3.179 20 10 EGCDRO CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146662081 1378892453 /nfs/dbraw/zinc/89/24/53/1378892453.db2.gz FFPSOFLPBLFWBW-KGLIPLIRSA-N 1 0 345.447 3.302 20 10 EGCDRO CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146662084 1378892493 /nfs/dbraw/zinc/89/24/93/1378892493.db2.gz FHAGHILGLOZQHP-KBPBESRZSA-N 1 0 347.463 3.382 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)c2ccc(C)cc2)cc1C ZINC001148288517 1379146288 /nfs/dbraw/zinc/14/62/88/1379146288.db2.gz DEVHEFWWHKRKTC-QGZVFWFLSA-N 1 0 340.467 3.322 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)c(C)s2)cc1C ZINC001150356070 1379537007 /nfs/dbraw/zinc/53/70/07/1379537007.db2.gz LBUNFTOVULUZDA-UHFFFAOYSA-N 1 0 332.469 3.202 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@]2(C)CC=C(C)CC2)cc1C ZINC001151913090 1379814403 /nfs/dbraw/zinc/81/44/03/1379814403.db2.gz DOLACQRDGKAARQ-FQEVSTJZSA-N 1 0 330.472 3.346 20 10 EGCDRO CCOC(=O)c1c[nH]c2cc(N(CC)Cc3ccccc3O)[nH+]cc21 ZINC001154889200 1380373604 /nfs/dbraw/zinc/37/36/04/1380373604.db2.gz SYWUOLDIQNDXMA-UHFFFAOYSA-N 1 0 339.395 3.472 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001157436140 1380895232 /nfs/dbraw/zinc/89/52/32/1380895232.db2.gz ZMYVPLAIKRTNCC-RDTXWAMCSA-N 1 0 330.472 3.138 20 10 EGCDRO Cc1nc(N(C)C)cc(NCc2cc(Cl)c3cccnc3c2O)[nH+]1 ZINC001157723812 1381015360 /nfs/dbraw/zinc/01/53/60/1381015360.db2.gz DPHXXIVRAJZZNX-UHFFFAOYSA-N 1 0 343.818 3.370 20 10 EGCDRO c1cc(O[C@@H]2CCC[NH2+]C2)ccc1Nc1ccc2c(c1)OCCN2 ZINC001159949700 1381946985 /nfs/dbraw/zinc/94/69/85/1381946985.db2.gz PSPMMPIPETVGSI-QGZVFWFLSA-N 1 0 325.412 3.365 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1C ZINC001161396864 1382398154 /nfs/dbraw/zinc/39/81/54/1382398154.db2.gz WOSFGHFVNJOLFF-KZNAEPCWSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H](C)C3CC3)CC2)cc1C ZINC001163971255 1383141605 /nfs/dbraw/zinc/14/16/05/1383141605.db2.gz UTJADTLVPDTNOJ-INIZCTEOSA-N 1 0 344.499 3.426 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cccc4nsnc43)cc2)CC1 ZINC001167434100 1383632987 /nfs/dbraw/zinc/63/29/87/1383632987.db2.gz BMMUADZHBWVLCP-UHFFFAOYSA-N 1 0 339.468 3.055 20 10 EGCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001172590011 1384815399 /nfs/dbraw/zinc/81/53/99/1384815399.db2.gz CDMCPPRVJOMOTI-ROUUACIJSA-N 1 0 330.472 3.498 20 10 EGCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001172768211 1384847462 /nfs/dbraw/zinc/84/74/62/1384847462.db2.gz PQDYVKDQGAEMFH-MSOLQXFVSA-N 1 0 330.472 3.498 20 10 EGCDRO CCOC(=O)[C@@H]1CC12CCC([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001173605184 1384986344 /nfs/dbraw/zinc/98/63/44/1384986344.db2.gz WVFMONWKBJKGFI-GNZRSQJKSA-N 1 0 329.440 3.223 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1ccc(N(C)C)cc1 ZINC001320881359 1386746807 /nfs/dbraw/zinc/74/68/07/1386746807.db2.gz UNMDMSVBDHUXIA-PXNSSMCTSA-N 1 0 334.504 3.219 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](O)c1cccc(F)c1 ZINC001331272695 1389680062 /nfs/dbraw/zinc/68/00/62/1389680062.db2.gz UGOSTYNSRFZDST-VOJFVSQTSA-N 1 0 338.373 3.382 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1O ZINC001331743464 1389864945 /nfs/dbraw/zinc/86/49/45/1389864945.db2.gz MICDNQZQPXWFNE-OAHLLOKOSA-N 1 0 343.446 3.134 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1c(F)cccc1F ZINC001333615627 1390355455 /nfs/dbraw/zinc/35/54/55/1390355455.db2.gz UPTCEMSQXCGHQU-SFHVURJKSA-N 1 0 332.394 3.388 20 10 EGCDRO Cc1ncoc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001333705479 1390379030 /nfs/dbraw/zinc/37/90/30/1390379030.db2.gz QWZCCRHGLNVYSA-HNNXBMFYSA-N 1 0 335.835 3.096 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H](CC[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC001342740314 1390648088 /nfs/dbraw/zinc/64/80/88/1390648088.db2.gz RVVKUEWBLCVFDI-OAHLLOKOSA-N 1 0 329.419 3.044 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)COCC2CCCCC2)c(O)c1OC ZINC001335560541 1390703599 /nfs/dbraw/zinc/70/35/99/1390703599.db2.gz LVEWPFHNINOCCV-AWEZNQCLSA-N 1 0 337.460 3.484 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001348112894 1391174505 /nfs/dbraw/zinc/17/45/05/1391174505.db2.gz AFDWXZDXHAMHMQ-JQHSSLGASA-N 1 0 330.472 3.251 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H](CC[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC001355054934 1392189905 /nfs/dbraw/zinc/18/99/05/1392189905.db2.gz TXPIVJIRMHEIEB-KRWDZBQOSA-N 1 0 325.456 3.213 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccsc2C)cc1C ZINC001752904718 1440243828 /nfs/dbraw/zinc/24/38/28/1440243828.db2.gz YBUWWNVAFCRPED-AWEZNQCLSA-N 1 0 346.496 3.211 20 10 EGCDRO CCn1cccc1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753019643 1440269421 /nfs/dbraw/zinc/26/94/21/1440269421.db2.gz MWQLCGWBRBBHRK-MRXNPFEDSA-N 1 0 343.471 3.123 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C(C)=C2CCC2)cc1C ZINC001753964773 1440526533 /nfs/dbraw/zinc/52/65/33/1440526533.db2.gz MZDIFRURUWIXPR-HNNXBMFYSA-N 1 0 330.472 3.488 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cccs2)cc1C ZINC001754091922 1440540680 /nfs/dbraw/zinc/54/06/80/1440540680.db2.gz MKUAMGHWVNZTBL-ARJAWSKDSA-N 1 0 330.453 3.141 20 10 EGCDRO CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755203134 1440781185 /nfs/dbraw/zinc/78/11/85/1440781185.db2.gz RDANVVSFBOAKJB-INIZCTEOSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001755597004 1440883016 /nfs/dbraw/zinc/88/30/16/1440883016.db2.gz PVBXYVPZPWQFLD-XAUMDUMWSA-N 1 0 330.472 3.130 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1F ZINC000775315295 1126109258 /nfs/dbraw/zinc/10/92/58/1126109258.db2.gz LOPUVAGRZVGJAE-GOSISDBHSA-N 1 0 330.447 3.365 20 10 EGCDRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816591973 1126110892 /nfs/dbraw/zinc/11/08/92/1126110892.db2.gz TTYJXOSVGGRFQL-SFHVURJKSA-N 1 0 325.383 3.378 20 10 EGCDRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001318587369 1126169048 /nfs/dbraw/zinc/16/90/48/1126169048.db2.gz IXNQUIMDCQEZDQ-IBGZPJMESA-N 1 0 349.478 3.461 20 10 EGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001331277203 1126175407 /nfs/dbraw/zinc/17/54/07/1126175407.db2.gz HOKAUDITVRPURD-INIZCTEOSA-N 1 0 334.410 3.032 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1O ZINC000529669376 313382513 /nfs/dbraw/zinc/38/25/13/313382513.db2.gz MBJOUQBJQSSTQZ-UHFFFAOYSA-N 1 0 337.423 3.204 20 10 EGCDRO CCc1cnc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000230706927 456140005 /nfs/dbraw/zinc/14/00/05/456140005.db2.gz DVYBEZAGGADVSS-UHFFFAOYSA-N 1 0 327.247 3.463 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000275368091 456273603 /nfs/dbraw/zinc/27/36/03/456273603.db2.gz UZLFBXSWQPVPCX-VXGBXAGGSA-N 1 0 338.249 3.399 20 10 EGCDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000130534511 454204035 /nfs/dbraw/zinc/20/40/35/454204035.db2.gz AADXTZPNEDZIGS-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cc1 ZINC000130875388 454222712 /nfs/dbraw/zinc/22/27/12/454222712.db2.gz BDKBRMKUTYVYQH-AWEZNQCLSA-N 1 0 326.444 3.484 20 10 EGCDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000097257328 454429848 /nfs/dbraw/zinc/42/98/48/454429848.db2.gz JGBBKTWHOIFZPE-HNNXBMFYSA-N 1 0 333.476 3.044 20 10 EGCDRO Cc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000074001327 454516506 /nfs/dbraw/zinc/51/65/06/454516506.db2.gz SNFYDNGBKQTNOO-UHFFFAOYSA-N 1 0 337.467 3.451 20 10 EGCDRO COc1cccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1O ZINC000093280296 454698635 /nfs/dbraw/zinc/69/86/35/454698635.db2.gz NHLQPHUUTVYEKF-IBGZPJMESA-N 1 0 345.414 3.486 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1O ZINC000093638121 454725893 /nfs/dbraw/zinc/72/58/93/454725893.db2.gz XFEREKAWHOZUKH-OAQYLSRUSA-N 1 0 339.435 3.465 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1O ZINC000093684163 454729305 /nfs/dbraw/zinc/72/93/05/454729305.db2.gz KZUQXKGUARYQSA-QGZVFWFLSA-N 1 0 327.424 3.440 20 10 EGCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000093741880 454731340 /nfs/dbraw/zinc/73/13/40/454731340.db2.gz VSBOJWIHKRYESM-CYBMUJFWSA-N 1 0 341.293 3.318 20 10 EGCDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093889862 454744314 /nfs/dbraw/zinc/74/43/14/454744314.db2.gz VRGUJPIYPHATAL-FNODVLLQSA-N 1 0 347.436 3.051 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCOC2)c1O ZINC000124592020 454751396 /nfs/dbraw/zinc/75/13/96/454751396.db2.gz JZDKPXGCBVNXCU-LBPRGKRZSA-N 1 0 328.250 3.322 20 10 EGCDRO CCc1noc(C)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000162627997 454788881 /nfs/dbraw/zinc/78/88/81/454788881.db2.gz UHQFDTXIIWUYIL-UHFFFAOYSA-N 1 0 329.444 3.014 20 10 EGCDRO CN(C)c1ccc(CNC(=O)NCCCCCCC[NH+](C)C)cc1 ZINC000140281580 454818484 /nfs/dbraw/zinc/81/84/84/454818484.db2.gz YAVMXWSHFTZULY-UHFFFAOYSA-N 1 0 334.508 3.064 20 10 EGCDRO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000109771288 454835861 /nfs/dbraw/zinc/83/58/61/454835861.db2.gz OHZUNJVENCOLDF-ZIAGYGMSSA-N 1 0 330.403 3.229 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000167860125 454923526 /nfs/dbraw/zinc/92/35/26/454923526.db2.gz BAXUABVFKQNCMK-QZTJIDSGSA-N 1 0 329.488 3.057 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c(OC)c1OC ZINC000185067444 455494820 /nfs/dbraw/zinc/49/48/20/455494820.db2.gz XMNILFFLSOCPGQ-LLVKDONJSA-N 1 0 335.375 3.408 20 10 EGCDRO CO[C@H](C)c1noc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000267075025 455497583 /nfs/dbraw/zinc/49/75/83/455497583.db2.gz WNHMGQDWHYDWQT-CQSZACIVSA-N 1 0 332.448 3.254 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000179530496 455056286 /nfs/dbraw/zinc/05/62/86/455056286.db2.gz DAKLWYRHTZYADK-UHFFFAOYSA-N 1 0 340.423 3.308 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000179736493 455071523 /nfs/dbraw/zinc/07/15/23/455071523.db2.gz NRINXBBLOQUAFB-MRXNPFEDSA-N 1 0 333.476 3.099 20 10 EGCDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O ZINC000179873036 455092520 /nfs/dbraw/zinc/09/25/20/455092520.db2.gz ULSAEURSSBKUEJ-GFCCVEGCSA-N 1 0 339.844 3.170 20 10 EGCDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)C1 ZINC000179942280 455103487 /nfs/dbraw/zinc/10/34/87/455103487.db2.gz ZKPDYWSRIYCQCT-AWEZNQCLSA-N 1 0 334.435 3.002 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1O ZINC000180012229 455115559 /nfs/dbraw/zinc/11/55/59/455115559.db2.gz XZPFOZRHYCJLFX-UHFFFAOYSA-N 1 0 340.423 3.407 20 10 EGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000181152353 455295524 /nfs/dbraw/zinc/29/55/24/455295524.db2.gz XAJAQKGWYOFCQJ-VQHVLOKHSA-N 1 0 344.455 3.024 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000181295361 455314953 /nfs/dbraw/zinc/31/49/53/455314953.db2.gz CSFOHIZRPURVGS-INIZCTEOSA-N 1 0 329.488 3.244 20 10 EGCDRO COCCCOC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184696532 455430521 /nfs/dbraw/zinc/43/05/21/455430521.db2.gz CQTBNQMHCSSBPM-UHFFFAOYSA-N 1 0 343.851 3.072 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1OC ZINC000182657760 455561970 /nfs/dbraw/zinc/56/19/70/455561970.db2.gz SWXOVCJFMUTINK-UHFFFAOYSA-N 1 0 341.329 3.459 20 10 EGCDRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(Br)cc1O ZINC000185475825 455563050 /nfs/dbraw/zinc/56/30/50/455563050.db2.gz SXAJDTYYMFHAEJ-DGIBIBHMSA-N 1 0 348.306 3.353 20 10 EGCDRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(Br)cc1O ZINC000185705421 455600283 /nfs/dbraw/zinc/60/02/83/455600283.db2.gz RKSJWKWKAZEEIM-AAEUAGOBSA-N 1 0 344.249 3.001 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000283933021 455613385 /nfs/dbraw/zinc/61/33/85/455613385.db2.gz JIUARRZQHSOZGO-IBGZPJMESA-N 1 0 328.456 3.410 20 10 EGCDRO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1[O-] ZINC000185869910 455638432 /nfs/dbraw/zinc/63/84/32/455638432.db2.gz IYAFIHLHUSJVDA-CQSZACIVSA-N 1 0 329.419 3.494 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000284260715 455659348 /nfs/dbraw/zinc/65/93/48/455659348.db2.gz GILBPSLISCLDMO-LIRRHRJNSA-N 1 0 344.455 3.363 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cc(F)ccc1O ZINC000186022990 455678132 /nfs/dbraw/zinc/67/81/32/455678132.db2.gz NYLNGVBFMQXAMY-ABAIWWIYSA-N 1 0 332.350 3.127 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)c1 ZINC000192864069 455708630 /nfs/dbraw/zinc/70/86/30/455708630.db2.gz GTERHWJICGJZQK-ZDUSSCGKSA-N 1 0 331.412 3.311 20 10 EGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293039395 455772090 /nfs/dbraw/zinc/77/20/90/455772090.db2.gz JPZULPIVUUMKSY-SFHVURJKSA-N 1 0 331.504 3.189 20 10 EGCDRO C[C@H](CCO)C1(C[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000271844079 455784153 /nfs/dbraw/zinc/78/41/53/455784153.db2.gz RQVUCHARLOTOMF-GFCCVEGCSA-N 1 0 342.277 3.433 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N2CCCCCC2)cc1 ZINC000293720660 455796141 /nfs/dbraw/zinc/79/61/41/455796141.db2.gz NOWIOWDMORCMDP-DBVUQKKJSA-N 1 0 332.488 3.258 20 10 EGCDRO C[C@H](CCO)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000294671105 455823505 /nfs/dbraw/zinc/82/35/05/455823505.db2.gz AOCXGKWONPUGSM-INIZCTEOSA-N 1 0 329.440 3.469 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000278504481 455837414 /nfs/dbraw/zinc/83/74/14/455837414.db2.gz QUDYCEHCAXVULI-MJGOQNOKSA-N 1 0 341.503 3.196 20 10 EGCDRO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)c1O ZINC000278584992 455842066 /nfs/dbraw/zinc/84/20/66/455842066.db2.gz DOMVTXDTVALUGX-KRWDZBQOSA-N 1 0 345.439 3.051 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000278675734 455844382 /nfs/dbraw/zinc/84/43/82/455844382.db2.gz OQJZIKOWLCIUMI-UHFFFAOYSA-N 1 0 338.455 3.320 20 10 EGCDRO CCn1nccc1C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000278710786 455845063 /nfs/dbraw/zinc/84/50/63/455845063.db2.gz KBWWZVUXLJCDBX-UHFFFAOYSA-N 1 0 345.443 3.005 20 10 EGCDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000272112586 455849858 /nfs/dbraw/zinc/84/98/58/455849858.db2.gz XZCZJQLVJAQAAL-VOJFVSQTSA-N 1 0 333.359 3.126 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](CC(C)(C)O)C3CC3)cc2)CC1 ZINC000295646976 455856443 /nfs/dbraw/zinc/85/64/43/455856443.db2.gz CRJAIHJCYOQRJY-UHFFFAOYSA-N 1 0 332.488 3.037 20 10 EGCDRO O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296080928 455868148 /nfs/dbraw/zinc/86/81/48/455868148.db2.gz SNWXZBVTFOVURU-GOSISDBHSA-N 1 0 336.435 3.292 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)CC2 ZINC000296129506 455869533 /nfs/dbraw/zinc/86/95/33/455869533.db2.gz VSLINMREBVXAFJ-RBUKOAKNSA-N 1 0 338.451 3.043 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(O)CC3)cc2)CC1 ZINC000296146031 455870217 /nfs/dbraw/zinc/87/02/17/455870217.db2.gz XMXNYGVISCYCRV-FQEVSTJZSA-N 1 0 332.488 3.039 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(C)cc1O ZINC000280132161 455899671 /nfs/dbraw/zinc/89/96/71/455899671.db2.gz OZZRLAPUAKLKCT-GOSISDBHSA-N 1 0 347.480 3.486 20 10 EGCDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187838932 455960370 /nfs/dbraw/zinc/96/03/70/455960370.db2.gz SKUQPHLTXFXWMD-OWJWWREXSA-N 1 0 347.480 3.170 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693274 456042383 /nfs/dbraw/zinc/04/23/83/456042383.db2.gz XHYRWLFMDCDHJE-GJZGRUSLSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(O)c1O ZINC000272724126 456052453 /nfs/dbraw/zinc/05/24/53/456052453.db2.gz IDGGHBNVIODYEL-UHFFFAOYSA-N 1 0 346.471 3.134 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1O ZINC000287169117 456062982 /nfs/dbraw/zinc/06/29/82/456062982.db2.gz UNOZUDIKVWPLBG-ZIAGYGMSSA-N 1 0 333.453 3.021 20 10 EGCDRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1cc(F)ccc1O ZINC000287447196 456069381 /nfs/dbraw/zinc/06/93/81/456069381.db2.gz UTZTXYMAOBLOQP-JTQLQIEISA-N 1 0 342.212 3.231 20 10 EGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000280890557 456073009 /nfs/dbraw/zinc/07/30/09/456073009.db2.gz FBKCLMZPCWHGIV-GDBMZVCRSA-N 1 0 330.472 3.180 20 10 EGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000280890562 456073560 /nfs/dbraw/zinc/07/35/60/456073560.db2.gz FBKCLMZPCWHGIV-HOCLYGCPSA-N 1 0 330.472 3.180 20 10 EGCDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000287690385 456076567 /nfs/dbraw/zinc/07/65/67/456076567.db2.gz WQAPMWCQZHMBAB-QGZVFWFLSA-N 1 0 332.488 3.259 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2cnnn2C)cc1 ZINC000288513198 456098568 /nfs/dbraw/zinc/09/85/68/456098568.db2.gz TWZGDJDBSCJWOP-UHFFFAOYSA-N 1 0 335.455 3.131 20 10 EGCDRO CSC1(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000289226249 456119526 /nfs/dbraw/zinc/11/95/26/456119526.db2.gz JSRUVFSNTOEORT-OKILXGFUSA-N 1 0 338.492 3.425 20 10 EGCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)ccc1O ZINC000281110322 456136334 /nfs/dbraw/zinc/13/63/34/456136334.db2.gz RNUJZDOJCSAMQX-APBUJDDRSA-N 1 0 346.290 3.107 20 10 EGCDRO Cc1ccc(C)n1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271140680 456138026 /nfs/dbraw/zinc/13/80/26/456138026.db2.gz AFDSHGRRTUQODO-UHFFFAOYSA-N 1 0 328.412 3.376 20 10 EGCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000273018781 456147398 /nfs/dbraw/zinc/14/73/98/456147398.db2.gz DHLUUSCBASOPEH-RYUDHWBXSA-N 1 0 328.250 3.450 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(O)c1 ZINC000289842868 456152113 /nfs/dbraw/zinc/15/21/13/456152113.db2.gz URFDHICOBAIFDZ-UKRRQHHQSA-N 1 0 347.377 3.174 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1nnc2n1CCC2 ZINC000263680527 456191415 /nfs/dbraw/zinc/19/14/15/456191415.db2.gz MKCSHQGMCOLBDY-AWEZNQCLSA-N 1 0 334.423 3.448 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)CN(C)Cc2ccccc2)cc1OC ZINC000289983002 456205968 /nfs/dbraw/zinc/20/59/68/456205968.db2.gz BSJUMTPDKYKFAG-OAHLLOKOSA-N 1 0 344.455 3.020 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c(O)c1C ZINC000273296422 456222256 /nfs/dbraw/zinc/22/22/56/456222256.db2.gz ACGSJUFNQOZVLK-INIZCTEOSA-N 1 0 326.440 3.318 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c(O)c1C ZINC000273435175 456229675 /nfs/dbraw/zinc/22/96/75/456229675.db2.gz WTMUZGKBDNYIJW-HNNXBMFYSA-N 1 0 333.453 3.134 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c(O)c1C ZINC000273430416 456230708 /nfs/dbraw/zinc/23/07/08/456230708.db2.gz VLPCJLKSNXBRTB-JKSUJKDBSA-N 1 0 326.440 3.365 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273450763 456232013 /nfs/dbraw/zinc/23/20/13/456232013.db2.gz GAHZSNUSCLOGKG-HNNXBMFYSA-N 1 0 343.423 3.412 20 10 EGCDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Br)ccc1O ZINC000273502170 456235352 /nfs/dbraw/zinc/23/53/52/456235352.db2.gz QKLDKJMHCCJQAN-CPCISQLKSA-N 1 0 342.155 3.119 20 10 EGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273552530 456237763 /nfs/dbraw/zinc/23/77/63/456237763.db2.gz GDVPYBWJCSMLRL-KUHUBIRLSA-N 1 0 345.439 3.410 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc(F)ccc1O ZINC000273562351 456238990 /nfs/dbraw/zinc/23/89/90/456238990.db2.gz IOPIIXUYDWJXKR-GFCCVEGCSA-N 1 0 328.387 3.274 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c(O)c1C ZINC000273562957 456239693 /nfs/dbraw/zinc/23/96/93/456239693.db2.gz IQJVVZOSIHQJMS-OAHLLOKOSA-N 1 0 342.439 3.185 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000274395227 456257447 /nfs/dbraw/zinc/25/74/47/456257447.db2.gz DIYKZEUMYLNXNG-UHFFFAOYSA-N 1 0 332.831 3.361 20 10 EGCDRO O=C(/C=C/c1cncs1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000281582343 456270677 /nfs/dbraw/zinc/27/06/77/456270677.db2.gz GALBAEJHFMLXRR-KIUWMYQTSA-N 1 0 325.437 3.168 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1 ZINC000275155029 456271371 /nfs/dbraw/zinc/27/13/71/456271371.db2.gz VBJIBBYZJMJIPL-UHFFFAOYSA-N 1 0 346.862 3.239 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297871488 456314619 /nfs/dbraw/zinc/31/46/19/456314619.db2.gz PVEJDOCJUKVKPZ-UHFFFAOYSA-N 1 0 338.411 3.162 20 10 EGCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)Cc2ccccc2O)C1 ZINC000298678181 456515003 /nfs/dbraw/zinc/51/50/03/456515003.db2.gz QHSQWVADLCQRNT-CALCHBBNSA-N 1 0 347.503 3.292 20 10 EGCDRO C[C@H]1CCCN(c2ccc(C[NH2+]C3CCN(C=O)CC3)cc2Cl)C1 ZINC000282461772 456522772 /nfs/dbraw/zinc/52/27/72/456522772.db2.gz GADXJCRUEDZKGF-HNNXBMFYSA-N 1 0 349.906 3.287 20 10 EGCDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000276592133 456523356 /nfs/dbraw/zinc/52/33/56/456523356.db2.gz DGCZQKCTWLOATJ-HNNXBMFYSA-N 1 0 338.467 3.254 20 10 EGCDRO Fc1cc(C[NH2+][C@H]2CCCC23CCOCC3)ccc1N1CCOCC1 ZINC000282583584 456559924 /nfs/dbraw/zinc/55/99/24/456559924.db2.gz GFHJYNLDHYJEIW-IBGZPJMESA-N 1 0 348.462 3.101 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000291195722 456562049 /nfs/dbraw/zinc/56/20/49/456562049.db2.gz HBFFZTAYYQCGQE-NRFANRHFSA-N 1 0 341.451 3.218 20 10 EGCDRO COCC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000282661231 456585789 /nfs/dbraw/zinc/58/57/89/456585789.db2.gz INWBEJJSRPONBB-OAHLLOKOSA-N 1 0 336.451 3.130 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](CC)CC1 ZINC000282700527 456596144 /nfs/dbraw/zinc/59/61/44/456596144.db2.gz FWOWUPSWJICYRZ-UHFFFAOYSA-N 1 0 333.476 3.188 20 10 EGCDRO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Cl)ccc1O ZINC000277021034 456655459 /nfs/dbraw/zinc/65/54/59/456655459.db2.gz DHEPHCOQDBZIPS-LBPRGKRZSA-N 1 0 332.835 3.155 20 10 EGCDRO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000292010272 456828400 /nfs/dbraw/zinc/82/84/00/456828400.db2.gz YSLQOEKTJPRSJE-AWEZNQCLSA-N 1 0 329.444 3.233 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@@]1=O ZINC000277447500 456829355 /nfs/dbraw/zinc/82/93/55/456829355.db2.gz JRCMPJISYAKXAX-WNSKOXEYSA-N 1 0 329.465 3.402 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)c(C)n1-c1ccc(F)cc1 ZINC000364160042 457505621 /nfs/dbraw/zinc/50/56/21/457505621.db2.gz IMUYZPIPECHOTM-INIZCTEOSA-N 1 0 329.419 3.105 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000370207581 457585036 /nfs/dbraw/zinc/58/50/36/457585036.db2.gz VYMLFXKFDVQGOP-CYBMUJFWSA-N 1 0 347.846 3.361 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000374994930 457748215 /nfs/dbraw/zinc/74/82/15/457748215.db2.gz BNZLLGAWNGTRNF-QWHCGFSZSA-N 1 0 340.261 3.322 20 10 EGCDRO CCOCc1cc(C[NH2+][C@]2(CO)CCc3ccccc32)ccc1OC ZINC000366561072 457851965 /nfs/dbraw/zinc/85/19/65/457851965.db2.gz YODUUEVHFROCSU-NRFANRHFSA-N 1 0 341.451 3.155 20 10 EGCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1c(O)ccc3ccccc31)C[C@@H](C)O2 ZINC000369383696 458197737 /nfs/dbraw/zinc/19/77/37/458197737.db2.gz NAFKJPKAMBNHEI-STXHMFSFSA-N 1 0 327.424 3.314 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449295072 458422643 /nfs/dbraw/zinc/42/26/43/458422643.db2.gz PLXMOZGPRDPUHM-UHFFFAOYSA-N 1 0 342.464 3.180 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccncc3OC)CC2)cc1 ZINC000377010706 458439884 /nfs/dbraw/zinc/43/98/84/458439884.db2.gz VJXOYZUFLPWMGT-HNNXBMFYSA-N 1 0 341.455 3.418 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CCc2cnccn2)c(C(F)(F)F)c1 ZINC000279785985 547368102 /nfs/dbraw/zinc/36/81/02/547368102.db2.gz BGJJRURYDXOFLB-UHFFFAOYSA-N 1 0 338.377 3.236 20 10 EGCDRO O=C(C1CC1)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000728299094 574736576 /nfs/dbraw/zinc/73/65/76/574736576.db2.gz ARSHJLMZVOZXGX-UHFFFAOYSA-N 1 0 336.435 3.113 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC[NH+]1CCCC1 ZINC000729344253 574844423 /nfs/dbraw/zinc/84/44/23/574844423.db2.gz DOTPWHICFBAJIZ-UHFFFAOYSA-N 1 0 331.504 3.367 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731677917 575199163 /nfs/dbraw/zinc/19/91/63/575199163.db2.gz BWNQCAJGVHWCBJ-IBGZPJMESA-N 1 0 343.427 3.264 20 10 EGCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NCc1ccccc1 ZINC000731847815 575212199 /nfs/dbraw/zinc/21/21/99/575212199.db2.gz PCJIUQZVYKKLKL-UHFFFAOYSA-N 1 0 338.451 3.453 20 10 EGCDRO CCC[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000732203304 575244220 /nfs/dbraw/zinc/24/42/20/575244220.db2.gz WMWHWOSENDGUNI-GOSISDBHSA-N 1 0 326.440 3.482 20 10 EGCDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1=CC(=O)CS1 ZINC000732278702 575253831 /nfs/dbraw/zinc/25/38/31/575253831.db2.gz SJAWSROTZQNNBS-HNNXBMFYSA-N 1 0 330.453 3.096 20 10 EGCDRO COc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000732410976 575268096 /nfs/dbraw/zinc/26/80/96/575268096.db2.gz PDAZVUAWIYGXLB-UHFFFAOYSA-N 1 0 332.419 3.411 20 10 EGCDRO CCc1cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC000733191976 575319185 /nfs/dbraw/zinc/31/91/85/575319185.db2.gz VBFSBJCKBWNTFH-MRXNPFEDSA-N 1 0 346.862 3.475 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000733275788 575323804 /nfs/dbraw/zinc/32/38/04/575323804.db2.gz MTDWDYUYGPNBNL-UHFFFAOYSA-N 1 0 337.467 3.404 20 10 EGCDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000733325534 575327694 /nfs/dbraw/zinc/32/76/94/575327694.db2.gz IXWOQNRBESDUQU-AWEZNQCLSA-N 1 0 335.831 3.192 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)c(O)c1 ZINC000733331448 575328945 /nfs/dbraw/zinc/32/89/45/575328945.db2.gz AFRGYAPARUNZIT-INIZCTEOSA-N 1 0 329.396 3.413 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1F ZINC000733798508 575397723 /nfs/dbraw/zinc/39/77/23/575397723.db2.gz ULPWYJANHSHQBT-UHFFFAOYSA-N 1 0 338.224 3.339 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1F ZINC000740003256 576530294 /nfs/dbraw/zinc/53/02/94/576530294.db2.gz WWSSXEDXFMJCIK-KRWDZBQOSA-N 1 0 342.462 3.417 20 10 EGCDRO COC[C@H](CCO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000740011124 576531581 /nfs/dbraw/zinc/53/15/81/576531581.db2.gz JIMJNHPSRZLIHP-INIZCTEOSA-N 1 0 337.504 3.474 20 10 EGCDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740898247 576635198 /nfs/dbraw/zinc/63/51/98/576635198.db2.gz JEXZGCZQDLDBEZ-LSDHHAIUSA-N 1 0 335.448 3.082 20 10 EGCDRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000742219668 576759264 /nfs/dbraw/zinc/75/92/64/576759264.db2.gz LJNQNZKIPUTZOZ-AEFFLSMTSA-N 1 0 330.472 3.130 20 10 EGCDRO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@@H]1CCCO1 ZINC000743272530 576804922 /nfs/dbraw/zinc/80/49/22/576804922.db2.gz XFZLCPJBGCSIPK-FQEVSTJZSA-N 1 0 332.488 3.303 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1C(C)C ZINC000743376838 576807421 /nfs/dbraw/zinc/80/74/21/576807421.db2.gz VXXYWYYYCFBMCF-SFHVURJKSA-N 1 0 332.488 3.121 20 10 EGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743500264 576810551 /nfs/dbraw/zinc/81/05/51/576810551.db2.gz UYWJSICVBVUKSG-WBVHZDCISA-N 1 0 349.475 3.472 20 10 EGCDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000744450340 576828791 /nfs/dbraw/zinc/82/87/91/576828791.db2.gz RNMWPHWGOHELQQ-MRXNPFEDSA-N 1 0 346.475 3.017 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000744866767 576835985 /nfs/dbraw/zinc/83/59/85/576835985.db2.gz XVCZONZIPWVIDP-MRXNPFEDSA-N 1 0 334.508 3.014 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000328047758 1297253304 /nfs/dbraw/zinc/25/33/04/1297253304.db2.gz GNGWZANGUGDKGP-UHFFFAOYSA-N 1 0 337.467 3.061 20 10 EGCDRO CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H](C)[NH3+] ZINC000399546065 1297726980 /nfs/dbraw/zinc/72/69/80/1297726980.db2.gz YQLBUANJENIJAM-VQIMIIECSA-N 1 0 331.504 3.255 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1ccc(C)cc1O ZINC000794803806 1309597921 /nfs/dbraw/zinc/59/79/21/1309597921.db2.gz SDVOSNYMBSZOPD-APWZRJJASA-N 1 0 329.440 3.490 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(C)cc1O ZINC000794809255 1309598944 /nfs/dbraw/zinc/59/89/44/1309598944.db2.gz FFGTYQDYYOSBIZ-GBESFXJTSA-N 1 0 332.488 3.385 20 10 EGCDRO COc1cc2c(cc1C[NH2+]Cc1ccc(N(C)C)cc1)O[C@@H](C)C2 ZINC000017318115 1291182077 /nfs/dbraw/zinc/18/20/77/1291182077.db2.gz GDCCZCPSMNHBNW-AWEZNQCLSA-N 1 0 326.440 3.374 20 10 EGCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000028890817 1291317485 /nfs/dbraw/zinc/31/74/85/1291317485.db2.gz MNJRTJDQWZKVEI-UHFFFAOYSA-N 1 0 337.398 3.402 20 10 EGCDRO COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1C ZINC000067011010 1292139744 /nfs/dbraw/zinc/13/97/44/1292139744.db2.gz AEHJGSKTZVWRNB-UHFFFAOYSA-N 1 0 336.439 3.029 20 10 EGCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827641215 1292349822 /nfs/dbraw/zinc/34/98/22/1292349822.db2.gz KVIUBQFUAQAMOD-IBGZPJMESA-N 1 0 329.488 3.086 20 10 EGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CS1 ZINC000827662810 1292354174 /nfs/dbraw/zinc/35/41/74/1292354174.db2.gz VNTRDCXFQZGNHJ-LPHOPBHVSA-N 1 0 334.529 3.267 20 10 EGCDRO C[C@@H](NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1O ZINC000827946970 1292410172 /nfs/dbraw/zinc/41/01/72/1292410172.db2.gz WHXWCHPBBWIXGI-APWZRJJASA-N 1 0 338.451 3.449 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)ccc1N1CCCCC1 ZINC000827955767 1292411729 /nfs/dbraw/zinc/41/17/29/1292411729.db2.gz CMQOUACTWKWPIZ-UHFFFAOYSA-N 1 0 341.499 3.087 20 10 EGCDRO Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828987858 1292525338 /nfs/dbraw/zinc/52/53/38/1292525338.db2.gz MNRQTTDFTDZIDD-HNAYVOBHSA-N 1 0 329.488 3.071 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2cccc(C[NH3+])c2)cc1F ZINC000829038701 1292530689 /nfs/dbraw/zinc/53/06/89/1292530689.db2.gz MHCSQJPGLGOHRM-UHFFFAOYSA-N 1 0 329.419 3.061 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1 ZINC000830564182 1292734381 /nfs/dbraw/zinc/73/43/81/1292734381.db2.gz OSPJEPVFEKXZFS-KRWDZBQOSA-N 1 0 331.504 3.256 20 10 EGCDRO COc1cccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1O ZINC000091902367 1292845946 /nfs/dbraw/zinc/84/59/46/1292845946.db2.gz VIWAAIDAJYUBII-GOSISDBHSA-N 1 0 327.424 3.234 20 10 EGCDRO CC(C)(C)OC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092454177 1292871327 /nfs/dbraw/zinc/87/13/27/1292871327.db2.gz GFGAEEPSJRZPKP-UHFFFAOYSA-N 1 0 332.488 3.303 20 10 EGCDRO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)c1O ZINC000093325048 1292916240 /nfs/dbraw/zinc/91/62/40/1292916240.db2.gz NDGSSPDTJWPGAW-MRXNPFEDSA-N 1 0 326.440 3.107 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)c1 ZINC000093689022 1292927885 /nfs/dbraw/zinc/92/78/85/1292927885.db2.gz JBQYQNAYQQLXLC-UHFFFAOYSA-N 1 0 347.484 3.186 20 10 EGCDRO Cc1cc(Cl)ccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266870 1292978764 /nfs/dbraw/zinc/97/87/64/1292978764.db2.gz KFEWNIUIABVEMO-QGZVFWFLSA-N 1 0 331.847 3.144 20 10 EGCDRO Cc1cccc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1Cl ZINC000832284675 1292982188 /nfs/dbraw/zinc/98/21/88/1292982188.db2.gz LXWMDHBOFDPUCY-KRWDZBQOSA-N 1 0 345.874 3.073 20 10 EGCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[NH+](C)C ZINC000108453910 1293081357 /nfs/dbraw/zinc/08/13/57/1293081357.db2.gz BUUJYWAGOMRRHB-LJQANCHMSA-N 1 0 331.504 3.125 20 10 EGCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000834522425 1293110278 /nfs/dbraw/zinc/11/02/78/1293110278.db2.gz CTZYKGOUVZZXTL-DOTOQJQBSA-N 1 0 331.504 3.303 20 10 EGCDRO COC1CCN(C2(C[NH2+][C@H]3CCc4cccc(O)c43)CCCC2)CC1 ZINC000834576578 1293118533 /nfs/dbraw/zinc/11/85/33/1293118533.db2.gz ZKXFSUFZIMHKRN-SFHVURJKSA-N 1 0 344.499 3.393 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c(C)n1-c1cccc(C)c1 ZINC000834578584 1293118546 /nfs/dbraw/zinc/11/85/46/1293118546.db2.gz AJBYGKJBGVRXHU-QGZVFWFLSA-N 1 0 325.456 3.274 20 10 EGCDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834878418 1293161460 /nfs/dbraw/zinc/16/14/60/1293161460.db2.gz COVCXBZPGTUTSQ-ZIAGYGMSSA-N 1 0 340.895 3.377 20 10 EGCDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000834891919 1293165255 /nfs/dbraw/zinc/16/52/55/1293165255.db2.gz TUCSTMQDIJRMES-ZBFHGGJFSA-N 1 0 333.451 3.087 20 10 EGCDRO COc1cccnc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000834906929 1293172403 /nfs/dbraw/zinc/17/24/03/1293172403.db2.gz UKFXMONMFWTCTK-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N2CCCCC2)c(F)c1 ZINC000834909468 1293173212 /nfs/dbraw/zinc/17/32/12/1293173212.db2.gz RSGQKSUYXWGSDR-LIRRHRJNSA-N 1 0 333.451 3.135 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c(O)c1C ZINC000834911411 1293174193 /nfs/dbraw/zinc/17/41/93/1293174193.db2.gz MYPZGLMXXBDSJN-HIFRSBDPSA-N 1 0 327.428 3.390 20 10 EGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1(CO)CCCC1 ZINC000835065211 1293197873 /nfs/dbraw/zinc/19/78/73/1293197873.db2.gz FWQGRINCRILXBV-HXUWFJFHSA-N 1 0 346.515 3.190 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1O ZINC000835070715 1293199639 /nfs/dbraw/zinc/19/96/39/1293199639.db2.gz QGYJOHMOIYZKFW-LJQANCHMSA-N 1 0 335.444 3.345 20 10 EGCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000117395378 1293220213 /nfs/dbraw/zinc/22/02/13/1293220213.db2.gz VBZJCRTWBCCPFI-CVEARBPZSA-N 1 0 338.492 3.426 20 10 EGCDRO COc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCOC2)c1O ZINC000119718045 1293285711 /nfs/dbraw/zinc/28/57/11/1293285711.db2.gz KDJTWDUXZWEIBZ-NSHDSACASA-N 1 0 344.249 3.022 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000121994356 1293398974 /nfs/dbraw/zinc/39/89/74/1293398974.db2.gz YOPUKLPEEVGWEV-SJORKVTESA-N 1 0 333.476 3.288 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000122801907 1293425647 /nfs/dbraw/zinc/42/56/47/1293425647.db2.gz CHSZGRMSOGYZAQ-MRXNPFEDSA-N 1 0 335.455 3.493 20 10 EGCDRO C[C@H]([NH2+]CCN1CCCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000123964589 1293461533 /nfs/dbraw/zinc/46/15/33/1293461533.db2.gz HLGQIGRMEABRQG-KRWDZBQOSA-N 1 0 349.494 3.189 20 10 EGCDRO COc1cccc(CN2CCC[C@H]2C(=O)OCc2ccccc2)c1O ZINC000126414458 1293533684 /nfs/dbraw/zinc/53/36/84/1293533684.db2.gz LJFVBCOQOQIMEL-KRWDZBQOSA-N 1 0 341.407 3.109 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1O ZINC000129148815 1293614980 /nfs/dbraw/zinc/61/49/80/1293614980.db2.gz DEOAGXABLJSBIN-UHFFFAOYSA-N 1 0 344.430 3.248 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)cc1 ZINC000129204739 1293617451 /nfs/dbraw/zinc/61/74/51/1293617451.db2.gz CADVNDHKUBOEAI-QGZVFWFLSA-N 1 0 339.483 3.500 20 10 EGCDRO CCOc1cccc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c1O ZINC000129485796 1293624784 /nfs/dbraw/zinc/62/47/84/1293624784.db2.gz FLYNMIUGDMODMC-UHFFFAOYSA-N 1 0 348.487 3.356 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000157809516 1294187923 /nfs/dbraw/zinc/18/79/23/1294187923.db2.gz XXDFEWBKQUQGRA-HNNXBMFYSA-N 1 0 325.456 3.006 20 10 EGCDRO Cc1cncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000181844635 1294997450 /nfs/dbraw/zinc/99/74/50/1294997450.db2.gz OZLANFGLOQDGOO-OAHLLOKOSA-N 1 0 329.419 3.217 20 10 EGCDRO Cc1cc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c(C)s1 ZINC000182756430 1295072655 /nfs/dbraw/zinc/07/26/55/1295072655.db2.gz PZZCFTDBVIUQBK-AWEZNQCLSA-N 1 0 345.512 3.398 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1 ZINC000184903374 1295228266 /nfs/dbraw/zinc/22/82/66/1295228266.db2.gz UAITWAZBAGXLSQ-HNNXBMFYSA-N 1 0 331.485 3.344 20 10 EGCDRO COc1cccc(C[NH+]2CCN([C@H](C)c3ccsc3)CC2)c1O ZINC000184972488 1295232487 /nfs/dbraw/zinc/23/24/87/1295232487.db2.gz FAIRJLJHXSDUGZ-CQSZACIVSA-N 1 0 332.469 3.341 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cc(F)ccc1O ZINC000185188669 1295246984 /nfs/dbraw/zinc/24/69/84/1295246984.db2.gz ULABYNAALTULNC-CQSZACIVSA-N 1 0 330.403 3.219 20 10 EGCDRO COc1cc(OC)c(CC[NH2+][C@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000185401470 1295260522 /nfs/dbraw/zinc/26/05/22/1295260522.db2.gz SIXPRKORFNNHCP-GFCCVEGCSA-N 1 0 349.402 3.450 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1O ZINC000185534082 1295269200 /nfs/dbraw/zinc/26/92/00/1295269200.db2.gz OZASRWAHEYELSM-ABAIWWIYSA-N 1 0 338.423 3.485 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc1F ZINC000186255209 1295315234 /nfs/dbraw/zinc/31/52/34/1295315234.db2.gz WLDYNVWCGOPKBF-UHFFFAOYSA-N 1 0 339.414 3.337 20 10 EGCDRO C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(F)ccc1O ZINC000186401624 1295323409 /nfs/dbraw/zinc/32/34/09/1295323409.db2.gz LRVKMJSHLGUXCB-CQSZACIVSA-N 1 0 329.419 3.456 20 10 EGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000187992397 1295429099 /nfs/dbraw/zinc/42/90/99/1295429099.db2.gz NZIFTLXDGACTEZ-QGZVFWFLSA-N 1 0 345.439 3.099 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189204431 1295506927 /nfs/dbraw/zinc/50/69/27/1295506927.db2.gz LZNNRQMJWARTLH-UHFFFAOYSA-N 1 0 341.386 3.075 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000220253136 1296125281 /nfs/dbraw/zinc/12/52/81/1296125281.db2.gz QZMWQFDWKSZKOC-UHFFFAOYSA-N 1 0 339.277 3.119 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000237093718 1296219461 /nfs/dbraw/zinc/21/94/61/1296219461.db2.gz ASQGPVJLXIXRTP-MRXNPFEDSA-N 1 0 333.476 3.242 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 ZINC000246371630 1296350362 /nfs/dbraw/zinc/35/03/62/1296350362.db2.gz JJBQZEMGMSMKSV-DKSSEZFCSA-N 1 0 336.451 3.271 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1cccc(C)c1 ZINC000262621739 1296643352 /nfs/dbraw/zinc/64/33/52/1296643352.db2.gz IWCYKWCIGFJLIQ-MSOLQXFVSA-N 1 0 337.467 3.369 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000872136098 1296761306 /nfs/dbraw/zinc/76/13/06/1296761306.db2.gz JLPLLEXNNSZXNJ-QHRIQVFBSA-N 1 0 331.412 3.182 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCc3cccc(OC)c3)CC2)cc1 ZINC000303961007 1296883865 /nfs/dbraw/zinc/88/38/65/1296883865.db2.gz ZNANOTCSTFZDCB-UHFFFAOYSA-N 1 0 340.467 3.459 20 10 EGCDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000304060884 1296897635 /nfs/dbraw/zinc/89/76/35/1296897635.db2.gz OWSGYODIUBEVRS-ZUZCIYMTSA-N 1 0 346.265 3.050 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310563726 1297098190 /nfs/dbraw/zinc/09/81/90/1297098190.db2.gz KUUTXMUGUJJARP-LSDHHAIUSA-N 1 0 332.444 3.369 20 10 EGCDRO CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Br)ccc1O ZINC000311507899 1297109003 /nfs/dbraw/zinc/10/90/03/1297109003.db2.gz GQIAVBDUPDCBLJ-DZGCQCFKSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000324218180 1297208022 /nfs/dbraw/zinc/20/80/22/1297208022.db2.gz RDBIMHSYTSGOFR-OAHLLOKOSA-N 1 0 326.440 3.417 20 10 EGCDRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(N)cc1 ZINC000325113583 1297220637 /nfs/dbraw/zinc/22/06/37/1297220637.db2.gz JFSPKTPHLBANJZ-UHFFFAOYSA-N 1 0 327.428 3.128 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c(O)c1 ZINC000873179264 1297329668 /nfs/dbraw/zinc/32/96/68/1297329668.db2.gz GBLBZHZXZBEFGV-INIZCTEOSA-N 1 0 335.831 3.138 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000378926026 1297528788 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EGCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000749588468 1299239541 /nfs/dbraw/zinc/23/95/41/1299239541.db2.gz QLCQCZPHJDAWDH-IBGZPJMESA-N 1 0 329.488 3.168 20 10 EGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877481710 1299332777 /nfs/dbraw/zinc/33/27/77/1299332777.db2.gz QLBDNQUHDBFRON-NRFANRHFSA-N 1 0 346.515 3.429 20 10 EGCDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877566809 1299403654 /nfs/dbraw/zinc/40/36/54/1299403654.db2.gz PWDTYJBMHHFBCY-NHCUHLMSSA-N 1 0 348.531 3.026 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c1O ZINC000750819855 1299458288 /nfs/dbraw/zinc/45/82/88/1299458288.db2.gz TUCXXFDQDAYBJD-AWEZNQCLSA-N 1 0 343.402 3.212 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC000877672724 1299470148 /nfs/dbraw/zinc/47/01/48/1299470148.db2.gz LSMFTOQVRGZDEQ-UHFFFAOYSA-N 1 0 338.451 3.403 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1N1CCO[C@H](C)C1)c1ccccc1O ZINC000877755691 1299530417 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EGCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(C)cc(OC)c1O ZINC000754727455 1300202217 /nfs/dbraw/zinc/20/22/17/1300202217.db2.gz WVBINFMDYZUYLG-UHFFFAOYSA-N 1 0 330.428 3.143 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000754727003 1300202583 /nfs/dbraw/zinc/20/25/83/1300202583.db2.gz DLTFCLYICIXMPV-UHFFFAOYSA-N 1 0 341.411 3.239 20 10 EGCDRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000756379768 1300479529 /nfs/dbraw/zinc/47/95/29/1300479529.db2.gz QOSXKMQZPGAWJW-AWEZNQCLSA-N 1 0 328.412 3.136 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000756430998 1300488876 /nfs/dbraw/zinc/48/88/76/1300488876.db2.gz AOSAFZWBINTCQM-SWLSCSKDSA-N 1 0 346.402 3.290 20 10 EGCDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)ccc1OCCO ZINC000756455212 1300495881 /nfs/dbraw/zinc/49/58/81/1300495881.db2.gz BOBXIQZDAOXHNN-CABCVRRESA-N 1 0 345.439 3.492 20 10 EGCDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756495321 1300507519 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338.879 3.340 20 10 EGCDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)ccc1O ZINC000756687444 1300547646 /nfs/dbraw/zinc/54/76/46/1300547646.db2.gz WGAIDWFPCZASCB-SNVBAGLBSA-N 1 0 343.265 3.110 20 10 EGCDRO C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cc(F)ccc1O ZINC000756708167 1300549742 /nfs/dbraw/zinc/54/97/42/1300549742.db2.gz NVCVOBXUXLVPIG-CYBMUJFWSA-N 1 0 334.435 3.363 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cc2c(cc1O)CCCC2 ZINC000756736335 1300556339 /nfs/dbraw/zinc/55/63/39/1300556339.db2.gz MKUOQAMVAFKXCX-BBRMVZONSA-N 1 0 330.472 3.321 20 10 EGCDRO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648769 1300650385 /nfs/dbraw/zinc/65/03/85/1300650385.db2.gz CWTCMCLUUUQHKQ-CVEARBPZSA-N 1 0 326.440 3.099 20 10 EGCDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000759185125 1301034926 /nfs/dbraw/zinc/03/49/26/1301034926.db2.gz DEPKQKPBCSSEFM-UHFFFAOYSA-N 1 0 343.446 3.391 20 10 EGCDRO Cc1nc2ccccn2c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222845 1301424346 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COc1ccc(N2CCN(CC[NH2+][C@H](C)c3ccc(C)o3)CC2)cc1 ZINC000765399996 1302260929 /nfs/dbraw/zinc/26/09/29/1302260929.db2.gz CGTFCDPEXAAEAK-QGZVFWFLSA-N 1 0 343.471 3.069 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000765681241 1302306609 /nfs/dbraw/zinc/30/66/09/1302306609.db2.gz SVEZNWBWOZTWTI-YLJYHZDGSA-N 1 0 330.472 3.211 20 10 EGCDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H]1C ZINC000765939867 1302355318 /nfs/dbraw/zinc/35/53/18/1302355318.db2.gz KPCYFDRHDOGITI-HOTGVXAUSA-N 1 0 340.471 3.044 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1O ZINC000767511412 1302698040 /nfs/dbraw/zinc/69/80/40/1302698040.db2.gz FBKJLHDHYPYKCM-INIZCTEOSA-N 1 0 347.377 3.235 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(c3cccc(OC)c3)CC2)c(O)c1 ZINC000768173029 1302845304 /nfs/dbraw/zinc/84/53/04/1302845304.db2.gz SXADJNQPTSILBP-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO CCOc1ccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c(O)c1 ZINC000768180695 1302846452 /nfs/dbraw/zinc/84/64/52/1302846452.db2.gz OACZFBHGWNTLIC-MRXNPFEDSA-N 1 0 329.396 3.063 20 10 EGCDRO c1ccc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000768236633 1302862722 /nfs/dbraw/zinc/86/27/22/1302862722.db2.gz IACVZJAVEPVGRD-NRFANRHFSA-N 1 0 338.451 3.097 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2ccccc2-n2cncn2)C2CC2)cc1 ZINC000768257712 1302868299 /nfs/dbraw/zinc/86/82/99/1302868299.db2.gz OSBVDHGHGFWKLS-UHFFFAOYSA-N 1 0 347.466 3.498 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768440904 1302903719 /nfs/dbraw/zinc/90/37/19/1302903719.db2.gz APRGJHKWUJQXPB-PKOBYXMFSA-N 1 0 325.408 3.401 20 10 EGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768442007 1302904011 /nfs/dbraw/zinc/90/40/11/1302904011.db2.gz NFADTPHSOIZIFT-PKOBYXMFSA-N 1 0 341.407 3.164 20 10 EGCDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000768444324 1302905622 /nfs/dbraw/zinc/90/56/22/1302905622.db2.gz XMOZKLBWMNRMLJ-MJGOQNOKSA-N 1 0 325.408 3.464 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](C1CC1)[C@H]1CCc3ccccc31)[C@H](O)CO2 ZINC000768444976 1302906231 /nfs/dbraw/zinc/90/62/31/1302906231.db2.gz ZVXPNTPMUDXGIP-AZUAARDMSA-N 1 0 337.419 3.470 20 10 EGCDRO CC[C@@H](c1ccncc1)[N@H+](CC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768446226 1302907762 /nfs/dbraw/zinc/90/77/62/1302907762.db2.gz LDUKLTYZYDYXQT-WMZOPIPTSA-N 1 0 328.412 3.186 20 10 EGCDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768449730 1302910328 /nfs/dbraw/zinc/91/03/28/1302910328.db2.gz ZMZROFXHMWZOLJ-LJQANCHMSA-N 1 0 342.483 3.248 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3F)CCC1)[C@H](O)CO2 ZINC000768464880 1302914243 /nfs/dbraw/zinc/91/42/43/1302914243.db2.gz FSXRBRYJDYZGLZ-QGZVFWFLSA-N 1 0 347.361 3.265 20 10 EGCDRO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768930212 1303015361 /nfs/dbraw/zinc/01/53/61/1303015361.db2.gz NCDCZMGPDLGILY-KRWDZBQOSA-N 1 0 338.451 3.479 20 10 EGCDRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(C)ccc1O ZINC000769386523 1303104023 /nfs/dbraw/zinc/10/40/23/1303104023.db2.gz AASHDKOKBNZODR-UHFFFAOYSA-N 1 0 333.403 3.367 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)cc1F ZINC000769426135 1303110898 /nfs/dbraw/zinc/11/08/98/1303110898.db2.gz CFXVPVLLYNLYCN-MRXNPFEDSA-N 1 0 348.462 3.447 20 10 EGCDRO CCC1(O)CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769484379 1303123997 /nfs/dbraw/zinc/12/39/97/1303123997.db2.gz JSYBMUCAVBRDQJ-UHFFFAOYSA-N 1 0 347.459 3.322 20 10 EGCDRO COC1CC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000769504168 1303129255 /nfs/dbraw/zinc/12/92/55/1303129255.db2.gz VFFRELFWQMKRAD-UHFFFAOYSA-N 1 0 326.387 3.024 20 10 EGCDRO COc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1OC ZINC000886275590 1303417956 /nfs/dbraw/zinc/41/79/56/1303417956.db2.gz FWSYXOPWZYYDSL-UHFFFAOYSA-N 1 0 341.455 3.068 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886325461 1303434494 /nfs/dbraw/zinc/43/44/94/1303434494.db2.gz GQGBYJKLOJOYKE-UHFFFAOYSA-N 1 0 343.496 3.048 20 10 EGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000771928173 1303461871 /nfs/dbraw/zinc/46/18/71/1303461871.db2.gz QMPFLTVGPZXAJA-SFHVURJKSA-N 1 0 330.472 3.452 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000772599723 1303553219 /nfs/dbraw/zinc/55/32/19/1303553219.db2.gz NEHFUVBBFMBIQK-UHFFFAOYSA-N 1 0 326.440 3.109 20 10 EGCDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749215 1303583174 /nfs/dbraw/zinc/58/31/74/1303583174.db2.gz MHOHXNPZFFGJNY-PXNSSMCTSA-N 1 0 343.515 3.447 20 10 EGCDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747148 1303583232 /nfs/dbraw/zinc/58/32/32/1303583232.db2.gz MBOYLVNUZXEGRD-LJQANCHMSA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000772949469 1303597893 /nfs/dbraw/zinc/59/78/93/1303597893.db2.gz BLZPKEUWMHXHQJ-CABCVRRESA-N 1 0 348.878 3.112 20 10 EGCDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773012883 1303606778 /nfs/dbraw/zinc/60/67/78/1303606778.db2.gz DKJOLATZXAFERW-GDBMZVCRSA-N 1 0 340.895 3.378 20 10 EGCDRO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000773623298 1303715860 /nfs/dbraw/zinc/71/58/60/1303715860.db2.gz GYMSXUJQXDNROX-KRWDZBQOSA-N 1 0 346.519 3.235 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)[C@H](CC)CN1C(C)=O ZINC000773754758 1303735479 /nfs/dbraw/zinc/73/54/79/1303735479.db2.gz NMOSBRNGYOQPIL-RTBURBONSA-N 1 0 331.504 3.364 20 10 EGCDRO Cc1nc(NCc2ccccc2O)cc(NCc2ccccc2O)[nH+]1 ZINC000774524416 1303821060 /nfs/dbraw/zinc/82/10/60/1303821060.db2.gz SNCQZSMEFHTKRI-UHFFFAOYSA-N 1 0 336.395 3.420 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000775259714 1303932354 /nfs/dbraw/zinc/93/23/54/1303932354.db2.gz XPLBRHRPSGXIBQ-CQSZACIVSA-N 1 0 331.847 3.422 20 10 EGCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1c(O)cccc1OC)CCO2 ZINC000775346532 1303944035 /nfs/dbraw/zinc/94/40/35/1303944035.db2.gz URYBBBJIDHWJMA-MRXNPFEDSA-N 1 0 329.396 3.413 20 10 EGCDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000775403968 1303958677 /nfs/dbraw/zinc/95/86/77/1303958677.db2.gz LKFZWKVUHLTMHP-LPHOPBHVSA-N 1 0 331.504 3.440 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489927 1303973028 /nfs/dbraw/zinc/97/30/28/1303973028.db2.gz UEIGXBUUIWJTCU-SMDDNHRTSA-N 1 0 347.286 3.196 20 10 EGCDRO CC[C@H]([NH2+]CCc1nnc2ccccn21)c1cc(Cl)ccc1O ZINC000775484299 1303970702 /nfs/dbraw/zinc/97/07/02/1303970702.db2.gz APWXXDPFMCXPTM-AWEZNQCLSA-N 1 0 330.819 3.372 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489925 1303972821 /nfs/dbraw/zinc/97/28/21/1303972821.db2.gz UEIGXBUUIWJTCU-RISCZKNCSA-N 1 0 347.286 3.196 20 10 EGCDRO CCN1C[C@@H](C[N@H+](C)Cc2cccc(C)c2O)Oc2ccccc21 ZINC000775645868 1304001347 /nfs/dbraw/zinc/00/13/47/1304001347.db2.gz AKURTSNUOUVABK-QGZVFWFLSA-N 1 0 326.440 3.420 20 10 EGCDRO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775832354 1304045511 /nfs/dbraw/zinc/04/55/11/1304045511.db2.gz ZLSKODCXRKWBRE-MRXNPFEDSA-N 1 0 325.456 3.028 20 10 EGCDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000775830760 1304045589 /nfs/dbraw/zinc/04/55/89/1304045589.db2.gz NGYJSCTZEAVIMK-CQSZACIVSA-N 1 0 329.419 3.489 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000775830462 1304045919 /nfs/dbraw/zinc/04/59/19/1304045919.db2.gz JOJJMZOTIKFJLJ-INIZCTEOSA-N 1 0 329.488 3.410 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775835539 1304047776 /nfs/dbraw/zinc/04/77/76/1304047776.db2.gz UIRMOGBGKDITQA-JTDSTZFVSA-N 1 0 331.504 3.440 20 10 EGCDRO Fc1cc(C[N@@H+]2CCOCC3(CCCC3)C2)ccc1N1CCOCC1 ZINC000776007222 1304077916 /nfs/dbraw/zinc/07/79/16/1304077916.db2.gz ARFAGZABENFEPD-UHFFFAOYSA-N 1 0 348.462 3.055 20 10 EGCDRO C[C@H](NC(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(N(C)C)cc1 ZINC000776236741 1304118650 /nfs/dbraw/zinc/11/86/50/1304118650.db2.gz AUOJLZAKUVKMPZ-INIZCTEOSA-N 1 0 344.503 3.083 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000776253078 1304121412 /nfs/dbraw/zinc/12/14/12/1304121412.db2.gz NXGKPCXNZJSZDP-UHFFFAOYSA-N 1 0 329.787 3.428 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H](C)C3)cc2F)CC1 ZINC000776324304 1304133912 /nfs/dbraw/zinc/13/39/12/1304133912.db2.gz XYQXJVAEUZBYTM-RDJZCZTQSA-N 1 0 347.478 3.020 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](n3cncn3)C1)oc1ccccc12 ZINC000776778490 1304198463 /nfs/dbraw/zinc/19/84/63/1304198463.db2.gz VGDBRVIQPPCEAY-AWEZNQCLSA-N 1 0 334.379 3.330 20 10 EGCDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000776950301 1304222209 /nfs/dbraw/zinc/22/22/09/1304222209.db2.gz RRIJIMZFYIUJDS-AZUAARDMSA-N 1 0 332.488 3.207 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(O)c1 ZINC000777438675 1304296094 /nfs/dbraw/zinc/29/60/94/1304296094.db2.gz AVJKPJRBNLJBMD-IBGZPJMESA-N 1 0 331.387 3.024 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1F ZINC000777439871 1304297048 /nfs/dbraw/zinc/29/70/48/1304297048.db2.gz PTHZGNPRDQBNKD-IBGZPJMESA-N 1 0 332.394 3.124 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000777553150 1304317450 /nfs/dbraw/zinc/31/74/50/1304317450.db2.gz QCGOCZNKUOGLNQ-UHFFFAOYSA-N 1 0 347.846 3.496 20 10 EGCDRO Oc1ccc(F)cc1C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000778999816 1304516064 /nfs/dbraw/zinc/51/60/64/1304516064.db2.gz KWBHXWKRRPZTMF-UHFFFAOYSA-N 1 0 337.398 3.402 20 10 EGCDRO CCC(CC)N(CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663878 1304554033 /nfs/dbraw/zinc/55/40/33/1304554033.db2.gz WWCGGMTWTQKBRL-UHFFFAOYSA-N 1 0 346.519 3.159 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1(C(=O)OC)CCC1 ZINC000779386821 1304564219 /nfs/dbraw/zinc/56/42/19/1304564219.db2.gz LAPDUMLWXJJFTR-SFHVURJKSA-N 1 0 330.472 3.498 20 10 EGCDRO Cc1cc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000780512520 1304703722 /nfs/dbraw/zinc/70/37/22/1304703722.db2.gz SPVJLPJQSYQVAT-MRXNPFEDSA-N 1 0 348.531 3.275 20 10 EGCDRO Cc1sccc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248751 1305000377 /nfs/dbraw/zinc/00/03/77/1305000377.db2.gz NRNAOPASLJBMBN-SFHVURJKSA-N 1 0 345.512 3.084 20 10 EGCDRO Cc1ccc([C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891250489 1305000816 /nfs/dbraw/zinc/00/08/16/1305000816.db2.gz AHEACNULCDCKLE-MAUKXSAKSA-N 1 0 343.471 3.177 20 10 EGCDRO COc1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c(O)c1OC ZINC000891917870 1305208803 /nfs/dbraw/zinc/20/88/03/1305208803.db2.gz MCHSNZLLNPZFSH-SFHVURJKSA-N 1 0 343.423 3.373 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892444285 1305377375 /nfs/dbraw/zinc/37/73/75/1305377375.db2.gz MRWVTALSJPOVMA-SAABIXHNSA-N 1 0 346.519 3.190 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)c2ccccc2)c(O)c1OC ZINC000892570043 1305445198 /nfs/dbraw/zinc/44/51/98/1305445198.db2.gz HGBNGFISLIOWKW-AWEZNQCLSA-N 1 0 330.428 3.024 20 10 EGCDRO COc1ccc(C[NH2+][C@H](CCCO)c2ccccc2)c(O)c1OC ZINC000893011369 1305655088 /nfs/dbraw/zinc/65/50/88/1305655088.db2.gz XQRGXOADICZTBD-MRXNPFEDSA-N 1 0 331.412 3.013 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(O)c1C ZINC000786960404 1305667219 /nfs/dbraw/zinc/66/72/19/1305667219.db2.gz ICNAIYVKKXQFKH-GFCCVEGCSA-N 1 0 339.482 3.325 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2C)c(O)c1OC ZINC000893059568 1305684147 /nfs/dbraw/zinc/68/41/47/1305684147.db2.gz FVBWXGZHNUJNSP-AWEZNQCLSA-N 1 0 331.412 3.275 20 10 EGCDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000787765127 1305789795 /nfs/dbraw/zinc/78/97/95/1305789795.db2.gz VCWIFGMPUSKGKL-UHFFFAOYSA-N 1 0 342.487 3.293 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c(O)c1OC ZINC000893412582 1305883160 /nfs/dbraw/zinc/88/31/60/1305883160.db2.gz NLQNWUVOLBKKPG-UHFFFAOYSA-N 1 0 346.427 3.272 20 10 EGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)ccn1 ZINC000788542291 1305967520 /nfs/dbraw/zinc/96/75/20/1305967520.db2.gz LXXNLWWURWFUGZ-HNNXBMFYSA-N 1 0 343.496 3.494 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(O)c1OC ZINC000893650996 1306006980 /nfs/dbraw/zinc/00/69/80/1306006980.db2.gz LZKGXMGNJLHMJR-FQEVSTJZSA-N 1 0 341.407 3.041 20 10 EGCDRO COC(=O)CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000894230635 1306291331 /nfs/dbraw/zinc/29/13/31/1306291331.db2.gz SNFXAPWWCZCLPA-QGZVFWFLSA-N 1 0 343.423 3.493 20 10 EGCDRO COc1ccc(C[NH2+]CCc2nc3ccccc3s2)c(O)c1OC ZINC000894448199 1308895211 /nfs/dbraw/zinc/89/52/11/1308895211.db2.gz MFHQVODLMSZLCC-UHFFFAOYSA-N 1 0 344.436 3.351 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1O ZINC000894589628 1308967497 /nfs/dbraw/zinc/96/74/97/1308967497.db2.gz WGNGQVZNQKAGLZ-OAHLLOKOSA-N 1 0 339.794 3.325 20 10 EGCDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(OC)c3O)C2)c1 ZINC000894751490 1309050922 /nfs/dbraw/zinc/05/09/22/1309050922.db2.gz QLXLOVJDYQSUJB-WKILWMFISA-N 1 0 343.423 3.454 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c(O)c1OC ZINC000894943973 1309131576 /nfs/dbraw/zinc/13/15/76/1309131576.db2.gz NJMGDOBOSCSITK-CABCVRRESA-N 1 0 337.460 3.481 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCOCC(F)(F)F)c(C(F)(F)F)c1 ZINC000792895512 1309253479 /nfs/dbraw/zinc/25/34/79/1309253479.db2.gz UZZMXIDLEPGQRD-UHFFFAOYSA-N 1 0 344.299 3.440 20 10 EGCDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792939483 1309265345 /nfs/dbraw/zinc/26/53/45/1309265345.db2.gz ZPSBJFRPTUYMMB-GFCCVEGCSA-N 1 0 338.377 3.282 20 10 EGCDRO C[C@H](CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000895299176 1309274913 /nfs/dbraw/zinc/27/49/13/1309274913.db2.gz GLKRHVDEIZPMKG-OAHLLOKOSA-N 1 0 334.464 3.015 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CN1C1CC1 ZINC000793011508 1309281253 /nfs/dbraw/zinc/28/12/53/1309281253.db2.gz IRNXBBHCRWKQOB-OCCSQVGLSA-N 1 0 341.421 3.486 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCC2(C)OCCO2)c(C(F)(F)F)c1 ZINC000793075557 1309291850 /nfs/dbraw/zinc/29/18/50/1309291850.db2.gz XQBONHSJLRYHPB-UHFFFAOYSA-N 1 0 332.366 3.014 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1C ZINC000793167589 1309308541 /nfs/dbraw/zinc/30/85/41/1309308541.db2.gz GFGZDXUWGRPKOM-BXUZGUMPSA-N 1 0 344.377 3.155 20 10 EGCDRO CCN(CC)c1ccc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)cc1F ZINC000793361442 1309353661 /nfs/dbraw/zinc/35/36/61/1309353661.db2.gz HUNRRPOBTVXXIS-DNVCBOLYSA-N 1 0 336.451 3.052 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)c(O)c1 ZINC000793389136 1309361542 /nfs/dbraw/zinc/36/15/42/1309361542.db2.gz WZQXVJUPXYSJCD-VQIMIIECSA-N 1 0 340.467 3.401 20 10 EGCDRO Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000793614770 1309416672 /nfs/dbraw/zinc/41/66/72/1309416672.db2.gz MKZQXJAFKLBYTI-GOEBONIOSA-N 1 0 334.213 3.281 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c(O)c1OC ZINC000895692495 1309468493 /nfs/dbraw/zinc/46/84/93/1309468493.db2.gz WWWMFBQQKXXCHQ-QAPCUYQASA-N 1 0 329.396 3.029 20 10 EGCDRO Cc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)c(C)c1 ZINC000794660586 1309567321 /nfs/dbraw/zinc/56/73/21/1309567321.db2.gz GQFGKCKVLAGGLJ-YWZLYKJASA-N 1 0 339.435 3.424 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1ccc(C)cc1O ZINC000794798857 1309597468 /nfs/dbraw/zinc/59/74/68/1309597468.db2.gz YYWOUXKRQSPYMA-GOSISDBHSA-N 1 0 326.440 3.480 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@]2(CCCOC2)O1 ZINC000794886836 1309614882 /nfs/dbraw/zinc/61/48/82/1309614882.db2.gz BERWRIZZIKDFRM-FOIQADDNSA-N 1 0 331.456 3.041 20 10 EGCDRO CN(CCC[N@H+](C)Cc1c(O)ccc2ccncc21)Cc1ccco1 ZINC000795750433 1309827734 /nfs/dbraw/zinc/82/77/34/1309827734.db2.gz DEOQGUDTOUDBHI-UHFFFAOYSA-N 1 0 339.439 3.487 20 10 EGCDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000797090890 1310138910 /nfs/dbraw/zinc/13/89/10/1310138910.db2.gz SJOOUQGQHMQXPZ-LLVKDONJSA-N 1 0 326.824 3.175 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000797518996 1310207116 /nfs/dbraw/zinc/20/71/16/1310207116.db2.gz QNWWRWRWVIZLLC-NSHDSACASA-N 1 0 332.356 3.168 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)N(C)C)cc1 ZINC000898447718 1310738968 /nfs/dbraw/zinc/73/89/68/1310738968.db2.gz KRURAWJJZMCFAY-HXUWFJFHSA-N 1 0 341.503 3.067 20 10 EGCDRO Cc1nn(C(C)C)cc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449481 1310740705 /nfs/dbraw/zinc/74/07/05/1310740705.db2.gz GNGDTDAYPASKGY-HXUWFJFHSA-N 1 0 343.519 3.231 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)COc2cccc(F)c2)cc1Cl ZINC000825132146 1320313367 /nfs/dbraw/zinc/31/33/67/1320313367.db2.gz XEYXFGMTWFASHL-CQSZACIVSA-N 1 0 339.794 3.023 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1Cl ZINC000825659563 1320352932 /nfs/dbraw/zinc/35/29/32/1320352932.db2.gz ZMVSMEATLSNGTI-UHFFFAOYSA-N 1 0 345.873 3.109 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000825987025 1320376345 /nfs/dbraw/zinc/37/63/45/1320376345.db2.gz QRCIJPLBMJZVOL-CQSZACIVSA-N 1 0 340.261 3.403 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1Cl ZINC000826016486 1320378400 /nfs/dbraw/zinc/37/84/00/1320378400.db2.gz KCKZDHZJEGCYLY-KRWDZBQOSA-N 1 0 339.863 3.011 20 10 EGCDRO OCCCC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839065407 1320861645 /nfs/dbraw/zinc/86/16/45/1320861645.db2.gz ZYDAKBJEBDBXBJ-UHFFFAOYSA-N 1 0 341.293 3.302 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](OCCOC)C2)cc1F ZINC000802652319 1317021351 /nfs/dbraw/zinc/02/13/51/1317021351.db2.gz DGSMPTYLWKXHFM-QGZVFWFLSA-N 1 0 338.467 3.299 20 10 EGCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc(N(C)C)cc2)c1C ZINC000858088752 1328679005 /nfs/dbraw/zinc/67/90/05/1328679005.db2.gz QNTDNLQZMKYMPG-UHFFFAOYSA-N 1 0 329.444 3.164 20 10 EGCDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1c(O)cccc1Br ZINC000858125657 1328689283 /nfs/dbraw/zinc/68/92/83/1328689283.db2.gz JQTJEWLQGIWXCP-NSHDSACASA-N 1 0 338.249 3.086 20 10 EGCDRO CO[C@](C)([C@@H](C)[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858176705 1328704148 /nfs/dbraw/zinc/70/41/48/1328704148.db2.gz FPTOZPNLFSDWEL-MEBBXXQBSA-N 1 0 328.250 3.448 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC3CCCC3)C2)cc1C ZINC001019954506 1317474556 /nfs/dbraw/zinc/47/45/56/1317474556.db2.gz WSWZIEVNXVCYSK-IYARVYRRSA-N 1 0 330.472 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[C@@H](F)C3)C2)cc1C ZINC001020142551 1317559382 /nfs/dbraw/zinc/55/93/82/1317559382.db2.gz GAOMMVSTQTXJSO-BRSBDYLESA-N 1 0 348.462 3.269 20 10 EGCDRO Cc1ccc([C@@H](CNC(=O)NCc2cc(C)ccc2O)[NH+](C)C)cc1 ZINC000858190284 1328707301 /nfs/dbraw/zinc/70/73/01/1328707301.db2.gz GSYNPMDYRAPPBG-GOSISDBHSA-N 1 0 341.455 3.111 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(Br)cc1O ZINC000902440006 1317578388 /nfs/dbraw/zinc/57/83/88/1317578388.db2.gz WPZUYIPXXJRWSN-IGGJQXEISA-N 1 0 347.256 3.430 20 10 EGCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(Br)cc1O ZINC000902440007 1317578849 /nfs/dbraw/zinc/57/88/49/1317578849.db2.gz WPZUYIPXXJRWSN-UDTVLSCZSA-N 1 0 347.256 3.430 20 10 EGCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1c(O)cccc1Br ZINC000858193721 1328708200 /nfs/dbraw/zinc/70/82/00/1328708200.db2.gz HWWJWRYMBYLZQC-UHFFFAOYSA-N 1 0 336.233 3.055 20 10 EGCDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21)CCCC3 ZINC000902627638 1317600641 /nfs/dbraw/zinc/60/06/41/1317600641.db2.gz ZLFYXWNMBFBKKC-HNAYVOBHSA-N 1 0 343.423 3.007 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1C ZINC001020320285 1317641295 /nfs/dbraw/zinc/64/12/95/1317641295.db2.gz BQFOSZVXRSEXRB-NNIGNNQHSA-N 1 0 342.483 3.177 20 10 EGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1nncn1C ZINC000903067032 1317646377 /nfs/dbraw/zinc/64/63/77/1317646377.db2.gz XYNNEPMYLBNRTM-UGSOOPFHSA-N 1 0 328.460 3.447 20 10 EGCDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000903345184 1317689367 /nfs/dbraw/zinc/68/93/67/1317689367.db2.gz YMOLXFVEKZNOAK-RDJZCZTQSA-N 1 0 328.456 3.307 20 10 EGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448021 1317701454 /nfs/dbraw/zinc/70/14/54/1317701454.db2.gz HZPQAHCMLXDKAI-DBVUQKKJSA-N 1 0 333.520 3.150 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1O ZINC000808672391 1317712373 /nfs/dbraw/zinc/71/23/73/1317712373.db2.gz MACUOZHEHOFIDO-ZBFHGGJFSA-N 1 0 340.895 3.361 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOC[C@H]2CCOC2)c1O ZINC000808697305 1317717294 /nfs/dbraw/zinc/71/72/94/1317717294.db2.gz BYMSCLNLJDTVAP-UONOGXRCSA-N 1 0 327.852 3.448 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000808715966 1317721306 /nfs/dbraw/zinc/72/13/06/1317721306.db2.gz ZOBLWKATYUPFOZ-MLGOLLRUSA-N 1 0 327.852 3.182 20 10 EGCDRO CCN(CC(=O)N1CCCCCC1)Cc1ccc(N(C)C)c(F)c1 ZINC000809714009 1317872711 /nfs/dbraw/zinc/87/27/11/1317872711.db2.gz ULAORIXEFIELMF-UHFFFAOYSA-N 1 0 335.467 3.116 20 10 EGCDRO [NH3+]CCN(Cc1cc(Cl)cc(F)c1O)c1ccc([N+](=O)[O-])cc1 ZINC000809734444 1317883298 /nfs/dbraw/zinc/88/32/98/1317883298.db2.gz GRWXPJUACYPCNG-UHFFFAOYSA-N 1 0 339.754 3.058 20 10 EGCDRO COc1cccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c1O ZINC000809748873 1317890228 /nfs/dbraw/zinc/89/02/28/1317890228.db2.gz FWJACMPTMJRUHX-UHFFFAOYSA-N 1 0 329.444 3.290 20 10 EGCDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H](O)C(F)(F)F ZINC000809750664 1317890925 /nfs/dbraw/zinc/89/09/25/1317890925.db2.gz COXFJQGCAIKNRC-INIZCTEOSA-N 1 0 325.330 3.414 20 10 EGCDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(OCc2ccccc2)cc1O ZINC000809757001 1317893994 /nfs/dbraw/zinc/89/39/94/1317893994.db2.gz YPFAUEYLDOTALL-UHFFFAOYSA-N 1 0 340.467 3.497 20 10 EGCDRO COc1cccc(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c1O ZINC000809774861 1317898340 /nfs/dbraw/zinc/89/83/40/1317898340.db2.gz SLZXAXGUHSOOPI-CVEARBPZSA-N 1 0 329.440 3.387 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@]3(C)C(C)C)C2)cc1C ZINC001020858523 1317965720 /nfs/dbraw/zinc/96/57/20/1317965720.db2.gz SGDONWRZONNXOH-NTLWEQJWSA-N 1 0 344.499 3.423 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810226325 1317980241 /nfs/dbraw/zinc/98/02/41/1317980241.db2.gz DLIAUYSBZJMEER-GXTWGEPZSA-N 1 0 344.377 3.461 20 10 EGCDRO CC[C@H]([NH2+]Cc1ncnn1CC)c1ccc(C(F)(F)F)cc1O ZINC000810237062 1317982313 /nfs/dbraw/zinc/98/23/13/1317982313.db2.gz DSSILDZEZFRMHW-LBPRGKRZSA-N 1 0 328.338 3.263 20 10 EGCDRO CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1CCCCC1 ZINC000906112460 1318040459 /nfs/dbraw/zinc/04/04/59/1318040459.db2.gz NLWNTKCKECVALS-UHFFFAOYSA-N 1 0 329.488 3.168 20 10 EGCDRO CC[NH+](CC)CCOc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000907090289 1318183700 /nfs/dbraw/zinc/18/37/00/1318183700.db2.gz SZQBXPNIQXWCPN-UHFFFAOYSA-N 1 0 334.441 3.427 20 10 EGCDRO CC[C@]1(C[NH2+]Cc2cc(OC)ccc2O)OCCc2ccccc21 ZINC000811509778 1318189101 /nfs/dbraw/zinc/18/91/01/1318189101.db2.gz DFWFMQTVQBMOIJ-HXUWFJFHSA-N 1 0 327.424 3.369 20 10 EGCDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000811517855 1318194159 /nfs/dbraw/zinc/19/41/59/1318194159.db2.gz BVZBOTCVHDZOLJ-UHFFFAOYSA-N 1 0 339.391 3.177 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cccc(OC)c2O)OC)c1 ZINC000858442818 1328763540 /nfs/dbraw/zinc/76/35/40/1328763540.db2.gz NNQQYCOHDMDQET-ACJLOTCBSA-N 1 0 331.412 3.448 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000813331205 1318535483 /nfs/dbraw/zinc/53/54/83/1318535483.db2.gz MNXFUWAISGQSSK-LBPRGKRZSA-N 1 0 346.393 3.468 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CC2CC(F)(F)C2)c1O ZINC000813782036 1318630234 /nfs/dbraw/zinc/63/02/34/1318630234.db2.gz VVNXRFIOCGIMSH-UHFFFAOYSA-N 1 0 336.176 3.298 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)c1 ZINC000813882791 1318650114 /nfs/dbraw/zinc/65/01/14/1318650114.db2.gz KTLHIHIAPLDREZ-CYBMUJFWSA-N 1 0 338.407 3.104 20 10 EGCDRO Cc1cc(C(=O)NC[C@H](C)C[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000814138353 1318681758 /nfs/dbraw/zinc/68/17/58/1318681758.db2.gz RBGOBOOTXNVNRS-ZDUSSCGKSA-N 1 0 331.435 3.161 20 10 EGCDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910953832 1318699776 /nfs/dbraw/zinc/69/97/76/1318699776.db2.gz GJELYTIPZHZNSB-UHFFFAOYSA-N 1 0 342.439 3.260 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2c1c(F)ccc2O ZINC000858537686 1328790485 /nfs/dbraw/zinc/79/04/85/1328790485.db2.gz POVBJGJUUJLTPO-CXSNFVKGSA-N 1 0 344.386 3.300 20 10 EGCDRO Cc1cc(C[NH+]2CCN(Cc3ccsc3)CC2)ccc1N(C)C ZINC000815008776 1318866681 /nfs/dbraw/zinc/86/66/81/1318866681.db2.gz NVBPECHUYGHYKJ-UHFFFAOYSA-N 1 0 329.513 3.440 20 10 EGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815094611 1318889511 /nfs/dbraw/zinc/88/95/11/1318889511.db2.gz DSYDPOPIWYKDFV-FUHWJXTLSA-N 1 0 347.503 3.408 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c(O)c1 ZINC000815564918 1319015833 /nfs/dbraw/zinc/01/58/33/1319015833.db2.gz XDOFFDCQMCGTTC-CQSZACIVSA-N 1 0 330.403 3.229 20 10 EGCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc3ccccc3c1O)CC2 ZINC000816512319 1319171104 /nfs/dbraw/zinc/17/11/04/1319171104.db2.gz FLLOCWQTLVYFMJ-KRWDZBQOSA-N 1 0 325.408 3.321 20 10 EGCDRO Oc1c(C[NH2+]Cc2cccc(N3CCOCC3)n2)ccc2ccccc21 ZINC000816573513 1319187219 /nfs/dbraw/zinc/18/72/19/1319187219.db2.gz AZKVQUDQAGVURI-UHFFFAOYSA-N 1 0 349.434 3.067 20 10 EGCDRO C[NH+](C)CCN(Cc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610818 1319193174 /nfs/dbraw/zinc/19/31/74/1319193174.db2.gz ZRZUTBATCMVMPY-UHFFFAOYSA-N 1 0 337.826 3.144 20 10 EGCDRO COC(=O)N1CCC(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816608530 1319194059 /nfs/dbraw/zinc/19/40/59/1319194059.db2.gz BRCUQLKYZXLVOH-UHFFFAOYSA-N 1 0 328.412 3.113 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1O ZINC000816625065 1319196462 /nfs/dbraw/zinc/19/64/62/1319196462.db2.gz PXZTYAPFYUCUTC-MRXNPFEDSA-N 1 0 335.831 3.090 20 10 EGCDRO C[N@@H+]1CCC[C@]2(CCN(Cc3cc(Br)ccc3O)C2)C1 ZINC000816642372 1319198741 /nfs/dbraw/zinc/19/87/41/1319198741.db2.gz XQJPZKXIUJBSEM-INIZCTEOSA-N 1 0 339.277 3.072 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1O ZINC000816661346 1319202611 /nfs/dbraw/zinc/20/26/11/1319202611.db2.gz KQLHDJOGWPFDCW-XHDPSFHLSA-N 1 0 328.250 3.104 20 10 EGCDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1=O ZINC000817589122 1319408769 /nfs/dbraw/zinc/40/87/69/1319408769.db2.gz MAVXNCHZIHIHPD-LSDHHAIUSA-N 1 0 326.440 3.455 20 10 EGCDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1=O ZINC000817589602 1319408983 /nfs/dbraw/zinc/40/89/83/1319408983.db2.gz OTGVQBGURJJDHG-GJZGRUSLSA-N 1 0 330.472 3.180 20 10 EGCDRO COc1cc(C)ccc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937978 1319466088 /nfs/dbraw/zinc/46/60/88/1319466088.db2.gz AVJBJCYIEPTHSZ-KXBFYZLASA-N 1 0 327.472 3.420 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938551 1319466148 /nfs/dbraw/zinc/46/61/48/1319466148.db2.gz MWBGAUBSOXRBGT-RTBURBONSA-N 1 0 342.443 3.402 20 10 EGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938838 1319466747 /nfs/dbraw/zinc/46/67/47/1319466747.db2.gz UIIFZQGTGGQXOF-YWZLYKJASA-N 1 0 326.488 3.169 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817941922 1319469538 /nfs/dbraw/zinc/46/95/38/1319469538.db2.gz LSQYGKBBUGJHLF-YVEFUNNKSA-N 1 0 333.863 3.462 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817941914 1319470618 /nfs/dbraw/zinc/47/06/18/1319470618.db2.gz LSQYGKBBUGJHLF-PXAZEXFGSA-N 1 0 333.863 3.462 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000817941567 1319470784 /nfs/dbraw/zinc/47/07/84/1319470784.db2.gz KOWHVWMGBKNAOV-ROUUACIJSA-N 1 0 331.410 3.308 20 10 EGCDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817941364 1319471032 /nfs/dbraw/zinc/47/10/32/1319471032.db2.gz JMESZQMERRKEHE-JLTOFOAXSA-N 1 0 340.471 3.062 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1O ZINC000817946948 1319471680 /nfs/dbraw/zinc/47/16/80/1319471680.db2.gz INRZVSAIFOTNLV-SRVKXCTJSA-N 1 0 327.266 3.193 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000817946653 1319472130 /nfs/dbraw/zinc/47/21/30/1319472130.db2.gz CJKPMOIWWMFUHC-GRYCIOLGSA-N 1 0 327.266 3.193 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817966185 1319480022 /nfs/dbraw/zinc/48/00/22/1319480022.db2.gz IHYWGKVIQCKYAP-BONVTDFDSA-N 1 0 345.256 3.334 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000817970843 1319480833 /nfs/dbraw/zinc/48/08/33/1319480833.db2.gz FZRBBJGATWOOQZ-KKZNHRDASA-N 1 0 331.229 3.085 20 10 EGCDRO COCC1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC[NH2+]CC1 ZINC000817975511 1319482964 /nfs/dbraw/zinc/48/29/64/1319482964.db2.gz VVKWECZNLBJNQQ-NSHDSACASA-N 1 0 347.286 3.366 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@H](C(C)C)C3)C2)cc1 ZINC000818220245 1319521275 /nfs/dbraw/zinc/52/12/75/1319521275.db2.gz GTBZSSRKZMJOOT-UWVAXJGDSA-N 1 0 332.488 3.315 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(C(C)C)nc3C)C2)cc1 ZINC000818221067 1319521825 /nfs/dbraw/zinc/52/18/25/1319521825.db2.gz KWAIHRNFLXUFEK-KRWDZBQOSA-N 1 0 342.487 3.397 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000818220281 1319521836 /nfs/dbraw/zinc/52/18/36/1319521836.db2.gz GYQFRTFBQVCYKV-HNNXBMFYSA-N 1 0 336.439 3.188 20 10 EGCDRO COc1ccc(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)c(O)c1 ZINC000818229055 1319522735 /nfs/dbraw/zinc/52/27/35/1319522735.db2.gz KJWORSFPLZOLHZ-INIZCTEOSA-N 1 0 334.460 3.095 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000818222642 1319522814 /nfs/dbraw/zinc/52/28/14/1319522814.db2.gz ZHJHLIHWHPDSRJ-OAHLLOKOSA-N 1 0 340.423 3.040 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C3(OC)CCCC3)C2)cc1 ZINC000818341993 1319530755 /nfs/dbraw/zinc/53/07/55/1319530755.db2.gz JXZBSPHOHRMJMD-IAGOWNOFSA-N 1 0 332.488 3.459 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(F)cn3)C2)cc1 ZINC000818342290 1319531011 /nfs/dbraw/zinc/53/10/11/1319531011.db2.gz OMUKJWAYKONMLI-HUUCEWRRSA-N 1 0 329.419 3.406 20 10 EGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342251 1319531232 /nfs/dbraw/zinc/53/12/32/1319531232.db2.gz NROCVUYNVNMIIV-ABSDTBQOSA-N 1 0 332.488 3.316 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)C12CCC2 ZINC000818343153 1319532562 /nfs/dbraw/zinc/53/25/62/1319532562.db2.gz YTWSDSDGHLVTBD-LSTHTHJFSA-N 1 0 344.499 3.459 20 10 EGCDRO Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941500 1319581642 /nfs/dbraw/zinc/58/16/42/1319581642.db2.gz KRPYZFQCZFGEAF-UHFFFAOYSA-N 1 0 329.419 3.319 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COCc1cccs1 ZINC000818953730 1319587213 /nfs/dbraw/zinc/58/72/13/1319587213.db2.gz MBCRBFFXBJCGAJ-SFHVURJKSA-N 1 0 346.496 3.016 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818965501 1319594509 /nfs/dbraw/zinc/59/45/09/1319594509.db2.gz SWQWEEMPPZUQJY-LJQANCHMSA-N 1 0 343.427 3.264 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)OCO2 ZINC000917617354 1319851927 /nfs/dbraw/zinc/85/19/27/1319851927.db2.gz AHRRCMVXXYKQNX-MRXNPFEDSA-N 1 0 329.371 3.467 20 10 EGCDRO Cc1cc(CC[NH2+][C@@H](C(N)=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC000821971442 1320044554 /nfs/dbraw/zinc/04/45/54/1320044554.db2.gz UYZOFHWYXBNITN-OAQYLSRUSA-N 1 0 347.462 3.453 20 10 EGCDRO CCn1nnc(C)c1C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC000823609297 1320191698 /nfs/dbraw/zinc/19/16/98/1320191698.db2.gz SVJGCESJDLYTJL-UHFFFAOYSA-N 1 0 337.471 3.346 20 10 EGCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000824084771 1320228060 /nfs/dbraw/zinc/22/80/60/1320228060.db2.gz HTNIRZVGCNFNRJ-NVXWUHKLSA-N 1 0 331.504 3.303 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)c1O ZINC000824382528 1320252808 /nfs/dbraw/zinc/25/28/08/1320252808.db2.gz DRUHPOUUZXXJBG-UHFFFAOYSA-N 1 0 329.396 3.242 20 10 EGCDRO OC[C@@H]([C@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1)C1CC1 ZINC000824845670 1320291003 /nfs/dbraw/zinc/29/10/03/1320291003.db2.gz MVGOSYNIBIRNPM-GDBMZVCRSA-N 1 0 340.261 3.041 20 10 EGCDRO Cc1cc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000824938187 1320297456 /nfs/dbraw/zinc/29/74/56/1320297456.db2.gz GSERLZCQAJWPSY-UWWQBHOKSA-N 1 0 338.879 3.038 20 10 EGCDRO Fc1cc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000824942031 1320298958 /nfs/dbraw/zinc/29/89/58/1320298958.db2.gz USEBFGJHYLAXNE-PXNSSMCTSA-N 1 0 330.447 3.283 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1Cl ZINC000824949546 1320299387 /nfs/dbraw/zinc/29/93/87/1320299387.db2.gz MPTWPPKZNUYJQR-QAPCUYQASA-N 1 0 349.862 3.176 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000824955195 1320299854 /nfs/dbraw/zinc/29/98/54/1320299854.db2.gz UZTLODRNENCYPG-OHNRDTAOSA-N 1 0 328.412 3.367 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)[C@@]12CCCO2 ZINC000825513843 1320343571 /nfs/dbraw/zinc/34/35/71/1320343571.db2.gz KEWDLVQTYOMJBH-ZACQAIPSSA-N 1 0 325.836 3.170 20 10 EGCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825641524 1320352189 /nfs/dbraw/zinc/35/21/89/1320352189.db2.gz SRCYPRBHUIBGKC-SUNKGSAMSA-N 1 0 328.250 3.136 20 10 EGCDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(Br)cc2O)C1 ZINC000825935599 1320372506 /nfs/dbraw/zinc/37/25/06/1320372506.db2.gz YLLGZRMJPNCKGK-SWLSCSKDSA-N 1 0 339.277 3.071 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](O)c1ccccc1 ZINC000825940188 1320372885 /nfs/dbraw/zinc/37/28/85/1320372885.db2.gz PCFZZLJXQIDKPG-ZBEGNZNMSA-N 1 0 336.229 3.366 20 10 EGCDRO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1O)C1(CO)CCC1 ZINC000825959379 1320375219 /nfs/dbraw/zinc/37/52/19/1320375219.db2.gz JOJORIBYXOZTPC-HNNXBMFYSA-N 1 0 342.277 3.432 20 10 EGCDRO COc1cccc(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)c1O ZINC000839191772 1320891653 /nfs/dbraw/zinc/89/16/53/1320891653.db2.gz FQFFZWARDKAZIP-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000839922456 1320996935 /nfs/dbraw/zinc/99/69/35/1320996935.db2.gz VDEQNAJJNXYWCJ-HNNXBMFYSA-N 1 0 336.439 3.070 20 10 EGCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1)C(N)=O ZINC000840111178 1321031411 /nfs/dbraw/zinc/03/14/11/1321031411.db2.gz WVMMZHKTKMXLCP-AWEZNQCLSA-N 1 0 341.455 3.054 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc2n(n1)CCC2 ZINC000840718474 1321133446 /nfs/dbraw/zinc/13/34/46/1321133446.db2.gz YTRXHIRNZRWGGP-HOTGVXAUSA-N 1 0 340.471 3.078 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cc4n(n3)CCC4)CC2)cc1 ZINC000840721130 1321134231 /nfs/dbraw/zinc/13/42/31/1321134231.db2.gz SLMRJUPVFLEMDL-OAHLLOKOSA-N 1 0 340.471 3.158 20 10 EGCDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000840811635 1321153972 /nfs/dbraw/zinc/15/39/72/1321153972.db2.gz HGHMXMYIXCADNO-MAUKXSAKSA-N 1 0 328.456 3.188 20 10 EGCDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000840810669 1321154078 /nfs/dbraw/zinc/15/40/78/1321154078.db2.gz ROCYTKWZECTSLI-NVXWUHKLSA-N 1 0 329.440 3.444 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000840932165 1321179650 /nfs/dbraw/zinc/17/96/50/1321179650.db2.gz NXWUMPFOPKZRRQ-UHFFFAOYSA-N 1 0 341.503 3.101 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000840948053 1321183605 /nfs/dbraw/zinc/18/36/05/1321183605.db2.gz KPTHULNVSUMSDY-GDBMZVCRSA-N 1 0 330.394 3.054 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000840948735 1321184067 /nfs/dbraw/zinc/18/40/67/1321184067.db2.gz IFUWKZTUYZVGDH-IBGZPJMESA-N 1 0 327.472 3.305 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840956195 1321185778 /nfs/dbraw/zinc/18/57/78/1321185778.db2.gz LRWARCMXDUSZSI-HOTGVXAUSA-N 1 0 348.240 3.463 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000840966175 1321189164 /nfs/dbraw/zinc/18/91/64/1321189164.db2.gz DAFGHEHKKVRAON-LPHOPBHVSA-N 1 0 349.475 3.470 20 10 EGCDRO OCC1([C@@H]([NH2+]Cc2cc(F)ccc2O)c2ccccc2)CCOCC1 ZINC000840972049 1321191823 /nfs/dbraw/zinc/19/18/23/1321191823.db2.gz GEZCAEMBWJCPLH-IBGZPJMESA-N 1 0 345.414 3.151 20 10 EGCDRO CC[C@@](C[NH2+]Cc1cccc(C)c1O)(C(=O)OC)c1ccccc1 ZINC000840977568 1321193124 /nfs/dbraw/zinc/19/31/24/1321193124.db2.gz IQKLZORREPMMHC-FQEVSTJZSA-N 1 0 327.424 3.311 20 10 EGCDRO NC[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CCCCC1 ZINC000841039155 1321206872 /nfs/dbraw/zinc/20/68/72/1321206872.db2.gz CODFWLYQAFCYSP-CQSZACIVSA-N 1 0 327.266 3.152 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000841042968 1321207818 /nfs/dbraw/zinc/20/78/18/1321207818.db2.gz NFRXJZXGSNYXQO-KRWDZBQOSA-N 1 0 335.398 3.144 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000841041375 1321207858 /nfs/dbraw/zinc/20/78/58/1321207858.db2.gz HOSGXVCMUCJAMC-OFQRWUPVSA-N 1 0 329.410 3.463 20 10 EGCDRO CC[NH2+]CCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000841052414 1321210632 /nfs/dbraw/zinc/21/06/32/1321210632.db2.gz VPXAAVGKAUIUIT-UHFFFAOYSA-N 1 0 328.254 3.187 20 10 EGCDRO CC[C@@H]([NH3+])CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841072063 1321214227 /nfs/dbraw/zinc/21/42/27/1321214227.db2.gz MDSJSEODVNEYLV-CQSZACIVSA-N 1 0 340.309 3.266 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089411 1321216635 /nfs/dbraw/zinc/21/66/35/1321216635.db2.gz MSZDZGHPQDSKJN-ZDUSSCGKSA-N 1 0 339.277 3.227 20 10 EGCDRO C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000841313801 1321253862 /nfs/dbraw/zinc/25/38/62/1321253862.db2.gz STRBBPKCOVXICQ-AWEZNQCLSA-N 1 0 326.444 3.355 20 10 EGCDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CO1 ZINC000841863249 1321324560 /nfs/dbraw/zinc/32/45/60/1321324560.db2.gz KGGFCTXWGBBYLR-CVEARBPZSA-N 1 0 338.879 3.167 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000841949520 1321331786 /nfs/dbraw/zinc/33/17/86/1321331786.db2.gz PCFBYWZGSQPYAV-HKUYNNGSSA-N 1 0 346.519 3.190 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000841968779 1321333008 /nfs/dbraw/zinc/33/30/08/1321333008.db2.gz CESPGCBDYZFQJU-UHFFFAOYSA-N 1 0 346.519 3.062 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNc2ncccc2Br)cc1 ZINC000842268867 1321366865 /nfs/dbraw/zinc/36/68/65/1321366865.db2.gz ASPMWLXJMMIRGS-AWEZNQCLSA-N 1 0 335.249 3.022 20 10 EGCDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc3c(c2)c(C)c(C)n3CCOC)n1 ZINC000842630951 1321410216 /nfs/dbraw/zinc/41/02/16/1321410216.db2.gz IUTSAIDCACJXFW-LBPRGKRZSA-N 1 0 342.443 3.105 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843108337 1321471731 /nfs/dbraw/zinc/47/17/31/1321471731.db2.gz YFJYQTRANWLXHB-KDURUIRLSA-N 1 0 338.451 3.298 20 10 EGCDRO COc1cccc(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)c1O ZINC000843115929 1321472216 /nfs/dbraw/zinc/47/22/16/1321472216.db2.gz GFQDQKOCEXUAIJ-INIZCTEOSA-N 1 0 332.831 3.201 20 10 EGCDRO COc1ccc(O)c(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)c1 ZINC000843119205 1321473461 /nfs/dbraw/zinc/47/34/61/1321473461.db2.gz RGIGNOUQDHMGCD-KRWDZBQOSA-N 1 0 332.831 3.201 20 10 EGCDRO Nc1ccc(Cc2noc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000843162306 1321481132 /nfs/dbraw/zinc/48/11/32/1321481132.db2.gz VYRZQUCUNLLRTP-KRWDZBQOSA-N 1 0 349.438 3.017 20 10 EGCDRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349701 1321503210 /nfs/dbraw/zinc/50/32/10/1321503210.db2.gz JFOAVMIAMWMMJS-ZDUSSCGKSA-N 1 0 327.403 3.064 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1O ZINC000843378564 1321509002 /nfs/dbraw/zinc/50/90/02/1321509002.db2.gz FWTULIVHLPJUPX-GOSISDBHSA-N 1 0 346.377 3.020 20 10 EGCDRO CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC[C@H]1[NH3+] ZINC000843471181 1321521543 /nfs/dbraw/zinc/52/15/43/1321521543.db2.gz OHQSCJQQEIKRHD-HNAYVOBHSA-N 1 0 343.446 3.433 20 10 EGCDRO Cc1cc(C(=O)NC(C)(C)CCC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843481684 1321521902 /nfs/dbraw/zinc/52/19/02/1321521902.db2.gz MQSVVMMTXSAJIA-UHFFFAOYSA-N 1 0 331.435 3.481 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)CCCCn2ccnc2C)cc1 ZINC000844402088 1321600117 /nfs/dbraw/zinc/60/01/17/1321600117.db2.gz UNYKNOXQKOPBOS-UHFFFAOYSA-N 1 0 330.476 3.049 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H](C)CO)CC2)c1O ZINC000844416425 1321603905 /nfs/dbraw/zinc/60/39/05/1321603905.db2.gz OXLJSGXWLNPFEN-LLVKDONJSA-N 1 0 325.836 3.089 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc3C2)c1O ZINC000846144647 1321771131 /nfs/dbraw/zinc/77/11/31/1321771131.db2.gz MSPAKVZCPOSNST-CVEARBPZSA-N 1 0 340.467 3.498 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000846144196 1321771519 /nfs/dbraw/zinc/77/15/19/1321771519.db2.gz LIFHBYHGNYYRKB-YOEHRIQHSA-N 1 0 342.439 3.271 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000846146898 1321771530 /nfs/dbraw/zinc/77/15/30/1321771530.db2.gz SMZPMNOPLNWXJO-STQMWFEESA-N 1 0 336.432 3.061 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1O ZINC000846150626 1321771987 /nfs/dbraw/zinc/77/19/87/1321771987.db2.gz KNUKNKRPGPZZOO-MRXNPFEDSA-N 1 0 348.487 3.087 20 10 EGCDRO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000846478081 1321788702 /nfs/dbraw/zinc/78/87/02/1321788702.db2.gz ZGKNXXQRILQHIA-CYBMUJFWSA-N 1 0 336.863 3.316 20 10 EGCDRO Cn1cncc1CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846765990 1321806484 /nfs/dbraw/zinc/80/64/84/1321806484.db2.gz IGXAQSXHTZMUKV-UHFFFAOYSA-N 1 0 326.488 3.475 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1F ZINC000848527917 1321969511 /nfs/dbraw/zinc/96/95/11/1321969511.db2.gz IDVJCMLCONORIQ-GOSISDBHSA-N 1 0 349.494 3.015 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccnc(OC)c3)C2)cc1 ZINC000848552969 1321975377 /nfs/dbraw/zinc/97/53/77/1321975377.db2.gz GXFVIGLVWDGQMQ-CVEARBPZSA-N 1 0 341.455 3.276 20 10 EGCDRO CCc1cccc(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)c1O ZINC000848892121 1322031823 /nfs/dbraw/zinc/03/18/23/1322031823.db2.gz LVUIKSBZSKERKD-UHFFFAOYSA-N 1 0 341.455 3.457 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H](O)COc2c(C)cccc2C)c1O ZINC000848894471 1322032908 /nfs/dbraw/zinc/03/29/08/1322032908.db2.gz LYXNHXBZGKGMJM-SFHVURJKSA-N 1 0 329.440 3.101 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O ZINC000848906900 1322041135 /nfs/dbraw/zinc/04/11/35/1322041135.db2.gz FCXAPEQZOLNROS-ZDUSSCGKSA-N 1 0 337.427 3.294 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1O ZINC000848914680 1322044781 /nfs/dbraw/zinc/04/47/81/1322044781.db2.gz QXKIESJLCZYZEL-UHFFFAOYSA-N 1 0 326.440 3.081 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1 ZINC000849349612 1322115643 /nfs/dbraw/zinc/11/56/43/1322115643.db2.gz CNELLBZJGWGWEK-RTBURBONSA-N 1 0 344.430 3.165 20 10 EGCDRO CN(C)c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC000849350103 1322116607 /nfs/dbraw/zinc/11/66/07/1322116607.db2.gz POCXARPLQNSGKL-WOJBJXKFSA-N 1 0 327.447 3.127 20 10 EGCDRO COc1cc(C[NH2+]C2CCN(C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000850017282 1322181998 /nfs/dbraw/zinc/18/19/98/1322181998.db2.gz MRADSWDVSHPZQH-UHFFFAOYSA-N 1 0 332.488 3.415 20 10 EGCDRO COc1cc(C[NH2+]CC2CCN(C(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850122038 1322194839 /nfs/dbraw/zinc/19/48/39/1322194839.db2.gz PNXWLPCDIGUMNP-UHFFFAOYSA-N 1 0 348.487 3.046 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H](O)C(F)(F)F ZINC000850231969 1322211710 /nfs/dbraw/zinc/21/17/10/1322211710.db2.gz SKBGCHABSGLUAV-ZFWWWQNUSA-N 1 0 349.393 3.490 20 10 EGCDRO COc1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c(O)c(C(C)(C)C)c1 ZINC000850236042 1322212394 /nfs/dbraw/zinc/21/23/94/1322212394.db2.gz PHNABWIVAASSBU-INIZCTEOSA-N 1 0 349.471 3.474 20 10 EGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(Cl)cc1O ZINC000850531236 1322262134 /nfs/dbraw/zinc/26/21/34/1322262134.db2.gz IGBSSEDBYFKHBY-GFCCVEGCSA-N 1 0 345.892 3.444 20 10 EGCDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850568262 1322269856 /nfs/dbraw/zinc/26/98/56/1322269856.db2.gz UDSGPAFLCICRPR-VQTJNVASSA-N 1 0 346.515 3.329 20 10 EGCDRO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850581790 1322272604 /nfs/dbraw/zinc/27/26/04/1322272604.db2.gz GOWTZIFOXHDQMO-CYBMUJFWSA-N 1 0 333.432 3.073 20 10 EGCDRO O=C1CCCN1c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921530395 1322341474 /nfs/dbraw/zinc/34/14/74/1322341474.db2.gz FXMPJHLTFDGYMW-UHFFFAOYSA-N 1 0 336.435 3.428 20 10 EGCDRO CC(C)[C@H]([NH2+]Cc1cc(Br)ccc1O)c1cnn(C)c1 ZINC000922896384 1322644080 /nfs/dbraw/zinc/64/40/80/1322644080.db2.gz UMFVTYXKFXYUPN-HNNXBMFYSA-N 1 0 338.249 3.375 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cccc3c2OCC3)cc1Cn1cccn1 ZINC000922941347 1322654722 /nfs/dbraw/zinc/65/47/22/1322654722.db2.gz KQEIJUSIUTUQGT-UHFFFAOYSA-N 1 0 349.434 3.165 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)/C=C/C3CC3)C2)cc1C ZINC001023911989 1323019255 /nfs/dbraw/zinc/01/92/55/1323019255.db2.gz AMAGKZRGEFIBTR-RQMBKDMJSA-N 1 0 342.483 3.298 20 10 EGCDRO CC[C@@H](F)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001024099117 1323131222 /nfs/dbraw/zinc/13/12/22/1323131222.db2.gz OPNAHMNZLPVAKX-IAGOWNOFSA-N 1 0 336.451 3.080 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H](C)CO)cc2)CC1 ZINC000852429272 1323189858 /nfs/dbraw/zinc/18/98/58/1323189858.db2.gz ZGFNZKYAMUSHSW-UWJYYQICSA-N 1 0 346.515 3.285 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)ccc1N1CCCCC1 ZINC000852442238 1323192939 /nfs/dbraw/zinc/19/29/39/1323192939.db2.gz JZMHZNSKEHHMSN-SFHVURJKSA-N 1 0 343.471 3.012 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C ZINC001024247071 1323230936 /nfs/dbraw/zinc/23/09/36/1323230936.db2.gz NRDMVVVKJMTRBT-KRWDZBQOSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(N(Cc2ccccc2)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000852745276 1323235022 /nfs/dbraw/zinc/23/50/22/1323235022.db2.gz PQTOOMFUBXYUPF-HXUWFJFHSA-N 1 0 338.451 3.223 20 10 EGCDRO CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025632549 1324484321 /nfs/dbraw/zinc/48/43/21/1324484321.db2.gz LVYFKKPUFZFNPZ-ZFWWWQNUSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)c3ccc[nH]3)CC2)cc1C ZINC001026452362 1324816287 /nfs/dbraw/zinc/81/62/87/1324816287.db2.gz DZGUYJVDNAEWLH-UHFFFAOYSA-N 1 0 341.455 3.163 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)Cc3ccccn3)C2)cc1 ZINC000926613964 1327635922 /nfs/dbraw/zinc/63/59/22/1327635922.db2.gz WLAPPTKTFJQHOI-SJORKVTESA-N 1 0 325.456 3.137 20 10 EGCDRO CC[C@@]1(CO)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862333833 1329475696 /nfs/dbraw/zinc/47/56/96/1329475696.db2.gz WRLHNENWZVXPMB-OAHLLOKOSA-N 1 0 328.250 3.139 20 10 EGCDRO C[C@H](CO)[N@@H+](Cc1c(O)cccc1Br)CC1CCC1 ZINC000862358718 1329477644 /nfs/dbraw/zinc/47/76/44/1329477644.db2.gz SAVNODVWRWVQPK-LLVKDONJSA-N 1 0 328.250 3.138 20 10 EGCDRO Cc1cc(CNC(=O)C2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000863162225 1329531102 /nfs/dbraw/zinc/53/11/02/1329531102.db2.gz YEGOZVCLIWSRMD-UHFFFAOYSA-N 1 0 339.483 3.361 20 10 EGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(OC)c(C)cc1O ZINC000863293933 1329544356 /nfs/dbraw/zinc/54/43/56/1329544356.db2.gz JTMDFMUGVAIJDV-UHFFFAOYSA-N 1 0 338.448 3.056 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000865683508 1329729152 /nfs/dbraw/zinc/72/91/52/1329729152.db2.gz TXCZECLUIFUTCJ-OAHLLOKOSA-N 1 0 341.381 3.018 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866436243 1330112181 /nfs/dbraw/zinc/11/21/81/1330112181.db2.gz LJCLDYMQUATIPJ-PRHODGIISA-N 1 0 334.729 3.091 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866499742 1330118815 /nfs/dbraw/zinc/11/88/15/1330118815.db2.gz NALLTQOKUOJSKH-MPKXVKKWSA-N 1 0 332.341 3.264 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C)cs3)C2)cc1C ZINC000968611412 1335984293 /nfs/dbraw/zinc/98/42/93/1335984293.db2.gz SUOXCSDBFSGPGO-MRXNPFEDSA-N 1 0 344.480 3.378 20 10 EGCDRO CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340066 1340577351 /nfs/dbraw/zinc/57/73/51/1340577351.db2.gz JDUDZVZHYAAACT-MRXNPFEDSA-N 1 0 345.447 3.089 20 10 EGCDRO CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340212 1340577842 /nfs/dbraw/zinc/57/78/42/1340577842.db2.gz LPBWZHNXNSHNCS-INIZCTEOSA-N 1 0 343.431 3.009 20 10 EGCDRO CC(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034545192 1342607387 /nfs/dbraw/zinc/60/73/87/1342607387.db2.gz SUCGZQWKRZEJRO-INIZCTEOSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C2CC=CC2)cc1C ZINC001036971764 1343901079 /nfs/dbraw/zinc/90/10/79/1343901079.db2.gz GMMVKBVBCUHVSQ-OALUTQOASA-N 1 0 342.483 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)cc1C ZINC001044924005 1346463992 /nfs/dbraw/zinc/46/39/92/1346463992.db2.gz QSPZAVNOCDAGLJ-MOPGFXCFSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cocc2C)cc1C ZINC001045157550 1346509571 /nfs/dbraw/zinc/50/95/71/1346509571.db2.gz SYQSLKPPFXXEMW-KRWDZBQOSA-N 1 0 342.439 3.299 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCC3CC3)C[C@H]2C)cc1C ZINC001048185570 1347488239 /nfs/dbraw/zinc/48/82/39/1347488239.db2.gz VELFAXXNPRWYTM-VQIMIIECSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C=C3CCC3)C[C@@H]2C)cc1C ZINC001048207113 1347494696 /nfs/dbraw/zinc/49/46/96/1347494696.db2.gz AUYLUIISEHNKBA-LPHOPBHVSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H](C)C3CC3)C[C@H]2C)cc1C ZINC001082946872 1358107912 /nfs/dbraw/zinc/10/79/12/1358107912.db2.gz VAVNZDAVYPZTMY-IDHHARJASA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC=CC2)cc1C ZINC001085156621 1358415242 /nfs/dbraw/zinc/41/52/42/1358415242.db2.gz QOHZAVHBDALOBZ-RTBURBONSA-N 1 0 342.483 3.487 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC=CCC3)C2)cc1C ZINC001086305538 1359062510 /nfs/dbraw/zinc/06/25/10/1359062510.db2.gz YUAGMLGIYVPSCI-GUDVDZBRSA-N 1 0 342.483 3.344 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3occc3C)C2)cc1C ZINC001086309489 1359064564 /nfs/dbraw/zinc/06/45/64/1359064564.db2.gz YAQWDBFQAPIGBH-QAQDUYKDSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[C@H](C)C3)C2)cc1C ZINC001086496334 1359120067 /nfs/dbraw/zinc/12/00/67/1359120067.db2.gz SNMWTORQCNDEDT-FZDIXFNVSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]3C(C)C)C2)cc1C ZINC001086518137 1359126099 /nfs/dbraw/zinc/12/60/99/1359126099.db2.gz HNVZTCQVRSBLQZ-NCXUSEDFSA-N 1 0 344.499 3.280 20 10 EGCDRO CCC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001088432127 1359900297 /nfs/dbraw/zinc/90/02/97/1359900297.db2.gz NCUSGFWIMWIUSG-INIZCTEOSA-N 1 0 345.447 3.233 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CCC3(C)C)C2)cc1C ZINC001091194231 1361003424 /nfs/dbraw/zinc/00/34/24/1361003424.db2.gz LWCKYMHNWWLGEB-ABHNRTSZSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(C)(C)F)C3)cc1C ZINC001094833183 1361920244 /nfs/dbraw/zinc/92/02/44/1361920244.db2.gz CQGGPEUFJDMRKM-ULQDDVLXSA-N 1 0 348.462 3.221 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)CC2CC2)C3)cc1C ZINC001094834376 1361920656 /nfs/dbraw/zinc/92/06/56/1361920656.db2.gz LMCFKSUTLDDOLW-OTWHNJEPSA-N 1 0 342.483 3.273 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1(F)F ZINC001324207667 1387557694 /nfs/dbraw/zinc/55/76/94/1387557694.db2.gz ICFGOALFEDKZRR-AWEZNQCLSA-N 1 0 341.421 3.055 20 10 EGCDRO CC[C@@H](C)CC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100282544 1364067133 /nfs/dbraw/zinc/06/71/33/1364067133.db2.gz PBZMUWFCSGIWQA-RWBZWWBESA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@]3(C)C=CCC3)C2)cc1C ZINC001100585101 1364175127 /nfs/dbraw/zinc/17/51/27/1364175127.db2.gz RALNSTBQLYPHFT-NGICGMGXSA-N 1 0 342.483 3.344 20 10 EGCDRO CC[C@H]([NH2+]Cc1nnc(C)n1C)c1ccc(C(F)(F)F)cc1O ZINC001324589728 1387689771 /nfs/dbraw/zinc/68/97/71/1387689771.db2.gz WHSQMJKXDPIIKA-LBPRGKRZSA-N 1 0 328.338 3.089 20 10 EGCDRO CN(C)c1ccc(N=Nc2cccc(C(=O)N[C@H]3CC[NH2+]C3)c2)cc1 ZINC001190974707 1367393780 /nfs/dbraw/zinc/39/37/80/1367393780.db2.gz PHXDDDVCOMQWAC-KRWDZBQOSA-N 1 0 337.427 3.260 20 10 EGCDRO OC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)CC1CCOCC1 ZINC001325012470 1387874761 /nfs/dbraw/zinc/87/47/61/1387874761.db2.gz YSMPDVWDLWLOMU-INIZCTEOSA-N 1 0 329.440 3.060 20 10 EGCDRO C[NH+]1C(C)(C)CC(NC(=O)c2ccc(O)c(O)c2Cl)CC1(C)C ZINC001193246946 1367979574 /nfs/dbraw/zinc/97/95/74/1367979574.db2.gz FETBMWDNMNPMJU-UHFFFAOYSA-N 1 0 340.851 3.132 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001325316773 1387933173 /nfs/dbraw/zinc/93/31/73/1387933173.db2.gz UWQVYENKGTUBER-CJNGLKHVSA-N 1 0 345.464 3.442 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC001325350998 1387947434 /nfs/dbraw/zinc/94/74/34/1387947434.db2.gz CRGDDSIMPBZSQG-VSZNYVQBSA-N 1 0 344.499 3.482 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC001325786515 1388045862 /nfs/dbraw/zinc/04/58/62/1388045862.db2.gz UGEYZPIXQXRKGH-CZUORRHYSA-N 1 0 334.851 3.099 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCCCS(C)(=O)=O ZINC001325785430 1388045639 /nfs/dbraw/zinc/04/56/39/1388045639.db2.gz IBWLDDRXAXMZFE-KBPBESRZSA-N 1 0 325.474 3.053 20 10 EGCDRO COc1cccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c1O ZINC001203595774 1370182073 /nfs/dbraw/zinc/18/20/73/1370182073.db2.gz LGHAIBWVJXHADM-UHFFFAOYSA-N 1 0 331.387 3.024 20 10 EGCDRO CCOc1cccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC001203596855 1370182716 /nfs/dbraw/zinc/18/27/16/1370182716.db2.gz PBUYLPVATFRQKJ-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3c(C)cccc3C)CC2)c1O ZINC001203601923 1370184041 /nfs/dbraw/zinc/18/40/41/1370184041.db2.gz RERAFLSQOMPLLD-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](CCOC)CO3)C2)c1O ZINC001203608556 1370186564 /nfs/dbraw/zinc/18/65/64/1370186564.db2.gz UCDMQVKMOFOUMW-UZLBHIALSA-N 1 0 349.471 3.199 20 10 EGCDRO COc1ccc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3)CC2)c(O)c1 ZINC001203635129 1370195549 /nfs/dbraw/zinc/19/55/49/1370195549.db2.gz KLHWUPHDPAXJFN-OAHLLOKOSA-N 1 0 344.430 3.419 20 10 EGCDRO CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@H]1Cc1cnn(C)c1 ZINC001203659542 1370205591 /nfs/dbraw/zinc/20/55/91/1370205591.db2.gz WLJDGJYJQJBYSI-WMZOPIPTSA-N 1 0 349.862 3.001 20 10 EGCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC001203665429 1370208049 /nfs/dbraw/zinc/20/80/49/1370208049.db2.gz JSVVZJAWKHKVIW-OAHLLOKOSA-N 1 0 334.803 3.103 20 10 EGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665189 1370208268 /nfs/dbraw/zinc/20/82/68/1370208268.db2.gz AFMOAVIVPOOCRJ-HNNXBMFYSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(C3(c4ccccc4)CC3)CC2)c1 ZINC001203680686 1370216157 /nfs/dbraw/zinc/21/61/57/1370216157.db2.gz BSDWFYUERQJIJB-UHFFFAOYSA-N 1 0 338.451 3.208 20 10 EGCDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)c1 ZINC001203884095 1370299193 /nfs/dbraw/zinc/29/91/93/1370299193.db2.gz ROCYBQVEZRWBGA-MRXNPFEDSA-N 1 0 327.380 3.222 20 10 EGCDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC001203939144 1370321975 /nfs/dbraw/zinc/32/19/75/1370321975.db2.gz LCXKTYXXUQXDMG-IBGZPJMESA-N 1 0 331.504 3.414 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)cc1 ZINC001203938863 1370322212 /nfs/dbraw/zinc/32/22/12/1370322212.db2.gz JGSSLDABXXVOOU-HXUWFJFHSA-N 1 0 329.488 3.168 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c2ccccc21 ZINC001204241090 1370418482 /nfs/dbraw/zinc/41/84/82/1370418482.db2.gz UXYLWGFVRDPVAT-KRWDZBQOSA-N 1 0 348.450 3.349 20 10 EGCDRO Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204275486 1370428848 /nfs/dbraw/zinc/42/88/48/1370428848.db2.gz SNTYYIQTPOGBCQ-UHFFFAOYSA-N 1 0 339.439 3.033 20 10 EGCDRO COC(=O)c1ccc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204278328 1370430329 /nfs/dbraw/zinc/43/03/29/1370430329.db2.gz DMWRFLNBYORMFF-UHFFFAOYSA-N 1 0 341.407 3.264 20 10 EGCDRO Oc1ccc(C[N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)c(O)c1 ZINC001204277596 1370430356 /nfs/dbraw/zinc/43/03/56/1370430356.db2.gz GJUSQWUTQNEIHF-NRFANRHFSA-N 1 0 338.451 3.338 20 10 EGCDRO CC[N@H+](Cc1ccc(O)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001204278682 1370430518 /nfs/dbraw/zinc/43/05/18/1370430518.db2.gz IATIVJNFWUWXEL-GOSISDBHSA-N 1 0 326.440 3.194 20 10 EGCDRO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(O)cc1O ZINC001204281529 1370430994 /nfs/dbraw/zinc/43/09/94/1370430994.db2.gz UPPIPIACMSMMFV-CQSZACIVSA-N 1 0 331.412 3.144 20 10 EGCDRO CCOC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1O ZINC001204282300 1370431444 /nfs/dbraw/zinc/43/14/44/1370431444.db2.gz PFMZSBLCKWJBEV-UHFFFAOYSA-N 1 0 343.423 3.443 20 10 EGCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204327995 1370445418 /nfs/dbraw/zinc/44/54/18/1370445418.db2.gz AQCGETMYSXQWRS-SCTDSRPQSA-N 1 0 328.456 3.060 20 10 EGCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329628 1370445451 /nfs/dbraw/zinc/44/54/51/1370445451.db2.gz SFYUJQHQKXYSCD-SFHVURJKSA-N 1 0 330.472 3.452 20 10 EGCDRO C[C@H]1CC[NH2+]CCN1Cc1ccc(OCc2ccccc2)cc1O ZINC001205332489 1370723242 /nfs/dbraw/zinc/72/32/42/1370723242.db2.gz QFYCVMCCWSFVRV-INIZCTEOSA-N 1 0 326.440 3.155 20 10 EGCDRO Cc1cc(O)c(CN2CCC[C@@H](C[NH3+])[C@H]2C)cc1Br ZINC001205914794 1370908809 /nfs/dbraw/zinc/90/88/09/1370908809.db2.gz NTDUGFZXQNTMBM-NEPJUHHUSA-N 1 0 327.266 3.022 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CCN1c2ccccc2CC[C@@H]1C ZINC001116475700 1370920868 /nfs/dbraw/zinc/92/08/68/1370920868.db2.gz CQMIVUPMWMPNDP-HNNXBMFYSA-N 1 0 326.440 3.332 20 10 EGCDRO COc1cc(C)c(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001206276895 1371011317 /nfs/dbraw/zinc/01/13/17/1371011317.db2.gz RTXBYACKANRFQB-KRWDZBQOSA-N 1 0 340.467 3.416 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c1O ZINC001117502871 1371049072 /nfs/dbraw/zinc/04/90/72/1371049072.db2.gz CIWQVEAXSAOEAB-DZGCQCFKSA-N 1 0 341.879 3.430 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c1O ZINC001117503072 1371049099 /nfs/dbraw/zinc/04/90/99/1371049099.db2.gz CIWQVEAXSAOEAB-HIFRSBDPSA-N 1 0 341.879 3.430 20 10 EGCDRO CCO[C@H](CC[NH2+]Cc1ccc(OC)c(OC)c1O)C1CCCC1 ZINC001119954633 1371431793 /nfs/dbraw/zinc/43/17/93/1371431793.db2.gz SKGXJEHNZVSZKA-MRXNPFEDSA-N 1 0 337.460 3.484 20 10 EGCDRO C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC001209386564 1372086973 /nfs/dbraw/zinc/08/69/73/1372086973.db2.gz DQUWIKUZZLFGPI-IZZQQSIFSA-N 1 0 332.488 3.159 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC001209401518 1372093879 /nfs/dbraw/zinc/09/38/79/1372093879.db2.gz GDHYGIUTNCQKQV-BCDXTJNWSA-N 1 0 332.488 3.329 20 10 EGCDRO C[C@H]1C[C@H]1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001209425566 1372103112 /nfs/dbraw/zinc/10/31/12/1372103112.db2.gz FUNHSTGGAYXYMY-HKUYNNGSSA-N 1 0 337.467 3.439 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001326474163 1388207386 /nfs/dbraw/zinc/20/73/86/1388207386.db2.gz SXWVQFOGIHSTHK-HOCLYGCPSA-N 1 0 338.455 3.166 20 10 EGCDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001218025254 1373541013 /nfs/dbraw/zinc/54/10/13/1373541013.db2.gz RXUKHQQZKOQFKQ-SUMWQHHRSA-N 1 0 341.407 3.096 20 10 EGCDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001218026418 1373541248 /nfs/dbraw/zinc/54/12/48/1373541248.db2.gz YXYULWCEAWGZIO-CXAGYDPISA-N 1 0 335.403 3.229 20 10 EGCDRO CC(C)Oc1ccc(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001219119624 1373688769 /nfs/dbraw/zinc/68/87/69/1373688769.db2.gz GCGVWLGFDZHMAC-UHFFFAOYSA-N 1 0 339.439 3.136 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(CF)CC2)cc1C ZINC001228548887 1375594904 /nfs/dbraw/zinc/59/49/04/1375594904.db2.gz LSWOGCKONGBRNK-IAGOWNOFSA-N 1 0 348.462 3.270 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)c(O)cc1O ZINC001231636280 1376287123 /nfs/dbraw/zinc/28/71/23/1376287123.db2.gz RJIRPTBFQOLONM-QGZVFWFLSA-N 1 0 343.423 3.458 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c(O)cc1O ZINC001231634941 1376287677 /nfs/dbraw/zinc/28/76/77/1376287677.db2.gz BTLLRYFPEDAKAG-INIZCTEOSA-N 1 0 329.396 3.150 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)c(O)cc1O ZINC001231638401 1376287866 /nfs/dbraw/zinc/28/78/66/1376287866.db2.gz ZKUOZOHVFCBWQA-KRWDZBQOSA-N 1 0 343.423 3.288 20 10 EGCDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(O)cc2O)c1 ZINC001231637443 1376288726 /nfs/dbraw/zinc/28/87/26/1376288726.db2.gz MQYDWIFNAKIKAE-MRXNPFEDSA-N 1 0 329.396 3.452 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001231844358 1376324980 /nfs/dbraw/zinc/32/49/80/1376324980.db2.gz JJEBDTOUJVXESB-XLIONFOSSA-N 1 0 331.456 3.169 20 10 EGCDRO CCOC(=O)N1CCC([N@H+](C)Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231870140 1376330341 /nfs/dbraw/zinc/33/03/41/1376330341.db2.gz LLNMHBSJDYOBKW-UHFFFAOYSA-N 1 0 340.851 3.407 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2=CCCC2)cc1C ZINC001134086201 1376360377 /nfs/dbraw/zinc/36/03/77/1376360377.db2.gz NFJJXQGHRHJTAZ-CVEARBPZSA-N 1 0 330.472 3.487 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)cc1Cl ZINC001232263585 1376425832 /nfs/dbraw/zinc/42/58/32/1376425832.db2.gz BBADZYNFSBRWSQ-AWEZNQCLSA-N 1 0 334.803 3.190 20 10 EGCDRO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263051 1376425966 /nfs/dbraw/zinc/42/59/66/1376425966.db2.gz DIMKYNMQICBLFP-NSHDSACASA-N 1 0 341.835 3.305 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3cccnc3)CC2)cc1Cl ZINC001232261803 1376426532 /nfs/dbraw/zinc/42/65/32/1376426532.db2.gz PLVOYMNGUJORFZ-UHFFFAOYSA-N 1 0 334.803 3.190 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3cccnc3)CC2)c1 ZINC001233284292 1376602618 /nfs/dbraw/zinc/60/26/18/1376602618.db2.gz PBQCVIIHNVATMB-UHFFFAOYSA-N 1 0 325.456 3.407 20 10 EGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)cc2O)cc1OC ZINC001233485419 1376652291 /nfs/dbraw/zinc/65/22/91/1376652291.db2.gz VCQGSPZBMCJCSM-CQSZACIVSA-N 1 0 345.395 3.158 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCC[C@]1(C)O ZINC001233726225 1376703512 /nfs/dbraw/zinc/70/35/12/1376703512.db2.gz ATHJKXVANGCJFJ-ABAIWWIYSA-N 1 0 333.350 3.274 20 10 EGCDRO COc1ccc(C[N@@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC001235787263 1376894997 /nfs/dbraw/zinc/89/49/97/1376894997.db2.gz ATLAPBPUMWRFMS-QGZVFWFLSA-N 1 0 332.831 3.201 20 10 EGCDRO COc1ccc(O)c(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236389598 1376952017 /nfs/dbraw/zinc/95/20/17/1376952017.db2.gz WBDFHSLUOQFHEU-GOSISDBHSA-N 1 0 344.430 3.294 20 10 EGCDRO Cc1cc(Br)cc(CN(C(C)C)[C@H]2CC[NH2+]C2)c1O ZINC001236525278 1376955594 /nfs/dbraw/zinc/95/55/94/1376955594.db2.gz AXISBZYEJOPKPK-AWEZNQCLSA-N 1 0 327.266 3.035 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC[C@@]1(C)O ZINC001237053486 1376971714 /nfs/dbraw/zinc/97/17/14/1376971714.db2.gz MPEXSUCHWZLNOJ-MLGOLLRUSA-N 1 0 347.377 3.316 20 10 EGCDRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4c(O)cccc4F)C[C@@H]3C2)cc1 ZINC001137834754 1377625455 /nfs/dbraw/zinc/62/54/55/1377625455.db2.gz RPNUWXSFJAQILW-ROUUACIJSA-N 1 0 340.442 3.404 20 10 EGCDRO Oc1cccc(F)c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001137837546 1377627024 /nfs/dbraw/zinc/62/70/24/1377627024.db2.gz LHTLJAXKWGTCTL-QFBILLFUSA-N 1 0 326.415 3.238 20 10 EGCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C(F)(F)F ZINC001138215744 1377690412 /nfs/dbraw/zinc/69/04/12/1377690412.db2.gz RXUNTBXSPOMMSH-WBVHZDCISA-N 1 0 342.405 3.280 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC001138222428 1377691117 /nfs/dbraw/zinc/69/11/17/1377691117.db2.gz XKIWARCEBQVXKY-OAQYLSRUSA-N 1 0 345.531 3.220 20 10 EGCDRO Cc1c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccccc2n1C ZINC001138252370 1377694081 /nfs/dbraw/zinc/69/40/81/1377694081.db2.gz DTDSYJCVDHZFOB-DLBZAZTESA-N 1 0 347.462 3.268 20 10 EGCDRO Cc1c(C[N@@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c2ccccc2n1C ZINC001138253998 1377694194 /nfs/dbraw/zinc/69/41/94/1377694194.db2.gz NGCHYAGIWXEYDE-NRFANRHFSA-N 1 0 345.446 3.499 20 10 EGCDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(C)n(C)c2ccccc12 ZINC001138256950 1377694865 /nfs/dbraw/zinc/69/48/65/1377694865.db2.gz QNJHKNDJQXDHDM-IBGZPJMESA-N 1 0 327.472 3.367 20 10 EGCDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339180 1377705427 /nfs/dbraw/zinc/70/54/27/1377705427.db2.gz BAIVLMMDBUBLFM-SFHVURJKSA-N 1 0 328.456 3.035 20 10 EGCDRO CCCC[NH+]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337703 1377705436 /nfs/dbraw/zinc/70/54/36/1377705436.db2.gz WBPAVCFHRKMOSV-UHFFFAOYSA-N 1 0 343.515 3.009 20 10 EGCDRO COc1ccc(N2CCN(Cc3c(F)cccc3OC)CC2)c(C)c1 ZINC001138386647 1377714194 /nfs/dbraw/zinc/71/41/94/1377714194.db2.gz OOLVQDCGRMXZFM-UHFFFAOYSA-N 1 0 344.430 3.474 20 10 EGCDRO CC1(C)OCCC12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138500530 1377733540 /nfs/dbraw/zinc/73/35/40/1377733540.db2.gz ZBSJWECLSCCTIK-UHFFFAOYSA-N 1 0 344.499 3.304 20 10 EGCDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139673881 1377931676 /nfs/dbraw/zinc/93/16/76/1377931676.db2.gz HMPSGYUGGFRFMU-QGZVFWFLSA-N 1 0 341.455 3.118 20 10 EGCDRO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139674295 1377931797 /nfs/dbraw/zinc/93/17/97/1377931797.db2.gz SSNJLZQBIGAVNY-GOSISDBHSA-N 1 0 325.456 3.418 20 10 EGCDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1O ZINC001140055076 1377997012 /nfs/dbraw/zinc/99/70/12/1377997012.db2.gz HKOGVQKFWHQPQO-DOMZBBRYSA-N 1 0 338.423 3.409 20 10 EGCDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140055080 1377997095 /nfs/dbraw/zinc/99/70/95/1377997095.db2.gz HMUBCJWQBHNVIK-OAHLLOKOSA-N 1 0 338.423 3.363 20 10 EGCDRO O=C1Nc2ccccc2C2(CC[NH+](Cc3cc(F)ccc3O)CC2)N1 ZINC001140058482 1377997897 /nfs/dbraw/zinc/99/78/97/1377997897.db2.gz CMHMUYDGGPZWSU-UHFFFAOYSA-N 1 0 341.386 3.158 20 10 EGCDRO CCOCc1ncn2c1C[N@H+](Cc1c(C)ccc(C)c1O)CCC2 ZINC001140181172 1378027181 /nfs/dbraw/zinc/02/71/81/1378027181.db2.gz SMJUJJRHRBLIAP-UHFFFAOYSA-N 1 0 329.444 3.148 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccncc4)C3)cc2)CC1 ZINC001140286777 1378040856 /nfs/dbraw/zinc/04/08/56/1378040856.db2.gz OZNJXZIEAHUEFP-IBGZPJMESA-N 1 0 337.467 3.032 20 10 EGCDRO COC[C@H]1COCCC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140338881 1378048508 /nfs/dbraw/zinc/04/85/08/1378048508.db2.gz AEYVVXDDKUOFPA-AWEZNQCLSA-N 1 0 339.863 3.311 20 10 EGCDRO Cc1cc(O[C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)ncn1 ZINC001140342424 1378049885 /nfs/dbraw/zinc/04/98/85/1378049885.db2.gz IWHIUPWOPLPIEI-ZDUSSCGKSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1cc(O[C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC001140342566 1378049911 /nfs/dbraw/zinc/04/99/11/1378049911.db2.gz PINQEMROGSHRIN-ZDUSSCGKSA-N 1 0 334.803 3.103 20 10 EGCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC001140342300 1378050376 /nfs/dbraw/zinc/05/03/76/1378050376.db2.gz CHQVNZRUPFKZGD-ZDUSSCGKSA-N 1 0 334.803 3.103 20 10 EGCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)nc1 ZINC001140464343 1378067774 /nfs/dbraw/zinc/06/77/74/1378067774.db2.gz MARYHUOVWSDRNW-HNNXBMFYSA-N 1 0 334.803 3.103 20 10 EGCDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467676 1378069163 /nfs/dbraw/zinc/06/91/63/1378069163.db2.gz UWTHPJNJLCMOIC-IAGOWNOFSA-N 1 0 325.836 3.063 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1c1ccccc1 ZINC001140623999 1378100234 /nfs/dbraw/zinc/10/02/34/1378100234.db2.gz BHVUTIFBDHBPFR-MSOLQXFVSA-N 1 0 325.408 3.089 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2c1cnn2CC ZINC001140621587 1378100374 /nfs/dbraw/zinc/10/03/74/1378100374.db2.gz LWOMDWOPBFOGMV-INIZCTEOSA-N 1 0 329.444 3.053 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2F)c1 ZINC001140661560 1378108767 /nfs/dbraw/zinc/10/87/67/1378108767.db2.gz JITZJYIDPZBSAO-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1O ZINC001140746274 1378128247 /nfs/dbraw/zinc/12/82/47/1378128247.db2.gz XNWCTXCCHZDCNG-UHFFFAOYSA-N 1 0 346.858 3.377 20 10 EGCDRO CCOC(=O)C1CC[NH+](Cc2ccc(N(CC)CC)cc2O)CC1 ZINC001140853226 1378158373 /nfs/dbraw/zinc/15/83/73/1378158373.db2.gz QECBBEONZZNHFT-UHFFFAOYSA-N 1 0 334.460 3.014 20 10 EGCDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140924568 1378182366 /nfs/dbraw/zinc/18/23/66/1378182366.db2.gz RYJITXBWNFOHCS-INIZCTEOSA-N 1 0 349.906 3.096 20 10 EGCDRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c(O)c1 ZINC001140952369 1378190084 /nfs/dbraw/zinc/19/00/84/1378190084.db2.gz PHKZFHJMARPDIB-GOSISDBHSA-N 1 0 331.456 3.251 20 10 EGCDRO CO[C@H](CN1CC[NH+](Cc2ccc(C)cc2O)CC1)c1ccccc1 ZINC001140957489 1378193005 /nfs/dbraw/zinc/19/30/05/1378193005.db2.gz BFFYUGOHFPSIFD-OAQYLSRUSA-N 1 0 340.467 3.206 20 10 EGCDRO c1cncc(N2CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)c1 ZINC001141074700 1378232326 /nfs/dbraw/zinc/23/23/26/1378232326.db2.gz RLXLCQSDLBVELS-UHFFFAOYSA-N 1 0 348.494 3.103 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001141160441 1378254606 /nfs/dbraw/zinc/25/46/06/1378254606.db2.gz YNBLFCMYIMSMLY-QDMKHBRRSA-N 1 0 348.443 3.118 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cccc(N(C)C)c3)CC2)c(C)c1 ZINC001141270281 1378288907 /nfs/dbraw/zinc/28/89/07/1378288907.db2.gz OBMXIJGZWQTWEL-UHFFFAOYSA-N 1 0 339.483 3.392 20 10 EGCDRO CC[C@H](CC(F)(F)F)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001148067404 1379112836 /nfs/dbraw/zinc/11/28/36/1379112836.db2.gz XXDHICLBGDNYGQ-CQSZACIVSA-N 1 0 346.393 3.188 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccccc2Cl)cc1C ZINC001150109244 1379496014 /nfs/dbraw/zinc/49/60/14/1379496014.db2.gz OXPBNFMJLHXNJY-UHFFFAOYSA-N 1 0 346.858 3.106 20 10 EGCDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(Cl)c1 ZINC001156655734 1380605577 /nfs/dbraw/zinc/60/55/77/1380605577.db2.gz HWCZIXDOBQJUQC-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157210023 1380811033 /nfs/dbraw/zinc/81/10/33/1380811033.db2.gz WQJZEJGIGATLME-CYBMUJFWSA-N 1 0 345.447 3.089 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1[C@H]([NH3+])[C@H]2CC[C@@H]1C2 ZINC001157435813 1380892381 /nfs/dbraw/zinc/89/23/81/1380892381.db2.gz WJYDKDWNFWNHPN-HOFLAQHISA-N 1 0 342.483 3.122 20 10 EGCDRO Cc1cnc(NCc2cc(Cl)c3cccnc3c2O)c(C[NH3+])c1 ZINC001157726803 1381016320 /nfs/dbraw/zinc/01/63/20/1381016320.db2.gz ZVRLMGNVHMKZTQ-UHFFFAOYSA-N 1 0 328.803 3.368 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2[nH]ccc2C2CC2)cc1C ZINC001159621528 1381851494 /nfs/dbraw/zinc/85/14/94/1381851494.db2.gz SCJOUELURCHKJG-UHFFFAOYSA-N 1 0 341.455 3.119 20 10 EGCDRO CCN(C(=O)c1cc(-n2c(C)ccc2C)ccc1O)[C@H]1CCC[NH2+]C1 ZINC001161345054 1382377196 /nfs/dbraw/zinc/37/71/96/1382377196.db2.gz DINBBIXKQADTIC-KRWDZBQOSA-N 1 0 341.455 3.014 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1C ZINC001161372939 1382387903 /nfs/dbraw/zinc/38/79/03/1382387903.db2.gz URUUIIWAFZDJGR-SQNIBIBYSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(F)ccc2C)cc1C ZINC001163520576 1383071020 /nfs/dbraw/zinc/07/10/20/1383071020.db2.gz FIKBVLJTMCOHGB-UHFFFAOYSA-N 1 0 344.430 3.361 20 10 EGCDRO CC(C)[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccnn1C ZINC001328769258 1388854394 /nfs/dbraw/zinc/85/43/94/1388854394.db2.gz DNBAFQZTZNCHGZ-AWEZNQCLSA-N 1 0 336.430 3.294 20 10 EGCDRO COc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC001167431047 1383631912 /nfs/dbraw/zinc/63/19/12/1383631912.db2.gz CVURAYGZAZTVHS-UHFFFAOYSA-N 1 0 325.456 3.368 20 10 EGCDRO CC1(C)NC(=O)Cc2cc(N3C(C)(C)CC([NH3+])CC3(C)C)ccc21 ZINC001167626399 1383692774 /nfs/dbraw/zinc/69/27/74/1383692774.db2.gz JULRSKRCWBWKRH-UHFFFAOYSA-N 1 0 329.488 3.079 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)c2ccc(C)o2)cc1C ZINC001167817830 1383747841 /nfs/dbraw/zinc/74/78/41/1383747841.db2.gz VZEOUNZBSHMWGB-INIZCTEOSA-N 1 0 344.455 3.305 20 10 EGCDRO Oc1c(CNc2ccc3c([nH+]2)NCCO3)cc(Cl)c2cccnc12 ZINC001168525617 1383930688 /nfs/dbraw/zinc/93/06/88/1383930688.db2.gz HTFVRPBTKWTJDE-UHFFFAOYSA-N 1 0 342.786 3.405 20 10 EGCDRO Nc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001335730101 1388913112 /nfs/dbraw/zinc/91/31/12/1388913112.db2.gz ISKLQPUOACMLHO-GOSISDBHSA-N 1 0 344.503 3.066 20 10 EGCDRO COc1ccc(N2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001172130020 1384737326 /nfs/dbraw/zinc/73/73/26/1384737326.db2.gz NAGLWHRRHICALI-REPLKXPHSA-N 1 0 343.515 3.141 20 10 EGCDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172837109 1384862485 /nfs/dbraw/zinc/86/24/85/1384862485.db2.gz FCFJBFHMFAPVII-QGHHPUGFSA-N 1 0 339.794 3.145 20 10 EGCDRO COC(=O)CCCC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001173455156 1384973318 /nfs/dbraw/zinc/97/33/18/1384973318.db2.gz MYFSUHZMZALLKJ-KRWDZBQOSA-N 1 0 348.487 3.077 20 10 EGCDRO COC(=O)CCCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001173459510 1384975398 /nfs/dbraw/zinc/97/53/98/1384975398.db2.gz MXONNACUVDYULD-QGZVFWFLSA-N 1 0 348.487 3.248 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)/C=C(\C)C2CC2)cc1C ZINC001317391231 1385110595 /nfs/dbraw/zinc/11/05/95/1385110595.db2.gz XSHACIJZURGTAV-GRNBYLDVSA-N 1 0 330.472 3.344 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCCc4occc43)cc2F)CC1 ZINC001318630628 1385805571 /nfs/dbraw/zinc/80/55/71/1385805571.db2.gz XFGQRINKYKPXFE-SFHVURJKSA-N 1 0 343.446 3.338 20 10 EGCDRO Cc1cc(CN2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC001319717523 1386267092 /nfs/dbraw/zinc/26/70/92/1386267092.db2.gz YNFNPFYLUPBOET-UHFFFAOYSA-N 1 0 335.835 3.050 20 10 EGCDRO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC001319858102 1386338290 /nfs/dbraw/zinc/33/82/90/1386338290.db2.gz RAPWPMUAVLONOT-HNNXBMFYSA-N 1 0 335.467 3.239 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1F ZINC001319948878 1386411968 /nfs/dbraw/zinc/41/19/68/1386411968.db2.gz XBTFIVYOSLSHLI-INIZCTEOSA-N 1 0 347.478 3.163 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)C(=O)NCC(F)(F)F ZINC001320420011 1386605301 /nfs/dbraw/zinc/60/53/01/1386605301.db2.gz JPAQODZQHRRKEW-GHMZBOCLSA-N 1 0 340.345 3.263 20 10 EGCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001320429156 1386607289 /nfs/dbraw/zinc/60/72/89/1386607289.db2.gz HZCUEFHPHPRHJC-UYAOXDASSA-N 1 0 330.472 3.498 20 10 EGCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC1CCOCC1 ZINC001320889720 1386749386 /nfs/dbraw/zinc/74/93/86/1386749386.db2.gz WDQVRZFDFDEYJU-HXUWFJFHSA-N 1 0 346.515 3.192 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001321027053 1386787306 /nfs/dbraw/zinc/78/73/06/1386787306.db2.gz IKOCFOQFSSQWDI-WOPDTQHZSA-N 1 0 342.361 3.002 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCc2ccccc2O)c1 ZINC001321683376 1386956417 /nfs/dbraw/zinc/95/64/17/1386956417.db2.gz QGSXFCJBAMQDPD-IBGZPJMESA-N 1 0 338.451 3.372 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N)cc3)C[C@H]2C1 ZINC001336284635 1389059186 /nfs/dbraw/zinc/05/91/86/1389059186.db2.gz BFVURQSZCKBDTG-BQFCYCMXSA-N 1 0 345.487 3.394 20 10 EGCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001329791017 1389225150 /nfs/dbraw/zinc/22/51/50/1389225150.db2.gz GGSZWIIRBMJYOV-DOTOQJQBSA-N 1 0 342.405 3.280 20 10 EGCDRO C[N@H+](CCc1ccc(F)cc1F)Cc1ccc(N2CCOCC2)cc1 ZINC001337566713 1389388036 /nfs/dbraw/zinc/38/80/36/1389388036.db2.gz LGQWLYJHERQUDA-UHFFFAOYSA-N 1 0 346.421 3.476 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC(C[NH+](C)C)C2)c1 ZINC001331204519 1389654149 /nfs/dbraw/zinc/65/41/49/1389654149.db2.gz CDBVQMOORACQTB-UHFFFAOYSA-N 1 0 345.874 3.381 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccccc2N2CCCC2)cc1 ZINC001331420768 1389741578 /nfs/dbraw/zinc/74/15/78/1389741578.db2.gz ZPLIJHVQZATTPD-FQEVSTJZSA-N 1 0 338.499 3.142 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(Br)o2)c(O)c1OC ZINC001333767198 1390396847 /nfs/dbraw/zinc/39/68/47/1390396847.db2.gz LYHGSNJROSYWIN-UHFFFAOYSA-N 1 0 342.189 3.055 20 10 EGCDRO C[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)NC(=O)OC(C)(C)C ZINC001334903989 1390617191 /nfs/dbraw/zinc/61/71/91/1390617191.db2.gz XQZQCGDMAZUYGL-LLVKDONJSA-N 1 0 343.418 3.034 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001345159815 1390842327 /nfs/dbraw/zinc/84/23/27/1390842327.db2.gz MZCFZBOYZNBKSQ-HOCLYGCPSA-N 1 0 333.476 3.252 20 10 EGCDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC001348085733 1391171287 /nfs/dbraw/zinc/17/12/87/1391171287.db2.gz KDBFJSOMLYZGHX-KBPBESRZSA-N 1 0 327.266 3.117 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](O)Cc1ccccc1 ZINC001351330638 1391627883 /nfs/dbraw/zinc/62/78/83/1391627883.db2.gz LBLANYDQSOHYAP-YJYMSZOUSA-N 1 0 334.410 3.113 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001351331227 1391628044 /nfs/dbraw/zinc/62/80/44/1391628044.db2.gz PVVBHTUYSHGUHX-MRXNPFEDSA-N 1 0 333.476 3.154 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001353255133 1391975689 /nfs/dbraw/zinc/97/56/89/1391975689.db2.gz REMPKRWSNLXTEX-IBGZPJMESA-N 1 0 340.471 3.151 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C)C(C)(F)F)cc1C ZINC001714490070 1419213606 /nfs/dbraw/zinc/21/36/06/1419213606.db2.gz XLROBMPHLAOERQ-KBPBESRZSA-N 1 0 342.430 3.279 20 10 EGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)CC(C)(C)C)C2CC2)cc1C ZINC001752452536 1440182701 /nfs/dbraw/zinc/18/27/01/1440182701.db2.gz UEDPNKJHWKRZHJ-QGZVFWFLSA-N 1 0 332.488 3.424 20 10 EGCDRO CCC(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC001753294214 1440351377 /nfs/dbraw/zinc/35/13/77/1440351377.db2.gz HPEGBKKBTSXPOP-GOSISDBHSA-N 1 0 326.440 3.361 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C(C)C)cc1C ZINC001753840200 1440502336 /nfs/dbraw/zinc/50/23/36/1440502336.db2.gz YJCGTABMUNDOLT-OTWHNJEPSA-N 1 0 344.499 3.280 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CC2)cc1C ZINC001754016595 1440531846 /nfs/dbraw/zinc/53/18/46/1440531846.db2.gz NRHJKVXWCWNQAF-FHLIZLRMSA-N 1 0 330.472 3.034 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccsc1 ZINC001754032353 1440533964 /nfs/dbraw/zinc/53/39/64/1440533964.db2.gz SXLJQSMLCXSIEK-UHFFFAOYSA-N 1 0 332.469 3.317 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccccc2)C2CC2)cc1C ZINC001754435078 1440597952 /nfs/dbraw/zinc/59/79/52/1440597952.db2.gz IRVDYLHRGJZIFW-LJQANCHMSA-N 1 0 338.451 3.302 20 10 EGCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000873191931 1126119897 /nfs/dbraw/zinc/11/98/97/1126119897.db2.gz UVLOWARDSJUBCW-SFHVURJKSA-N 1 0 335.831 3.138 20 10 EGCDRO COc1cccc(CN2CCc3nc(C(C)(C)C)ncc3C2)c1O ZINC000529641113 313376182 /nfs/dbraw/zinc/37/61/82/313376182.db2.gz JFMRLVBSYYEYLL-UHFFFAOYSA-N 1 0 327.428 3.047 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000066703851 453863939 /nfs/dbraw/zinc/86/39/39/453863939.db2.gz OBSZIFHSVJVRKS-KRWDZBQOSA-N 1 0 347.503 3.434 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000089212286 454126554 /nfs/dbraw/zinc/12/65/54/454126554.db2.gz BUWRPEOCCDQDDX-QGZVFWFLSA-N 1 0 330.476 3.298 20 10 EGCDRO NC(=O)[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000071792508 454217847 /nfs/dbraw/zinc/21/78/47/454217847.db2.gz PPHHKRWBTWXSGY-HXUWFJFHSA-N 1 0 332.403 3.375 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000131078029 454234192 /nfs/dbraw/zinc/23/41/92/454234192.db2.gz LSBWPRLGPVKWOU-UHFFFAOYSA-N 1 0 337.876 3.210 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C[C@@H](O)c3ccco3)CC2)cc1 ZINC000120854116 454356720 /nfs/dbraw/zinc/35/67/20/454356720.db2.gz ZRKFFGRXVQNJHR-DNVCBOLYSA-N 1 0 344.455 3.359 20 10 EGCDRO COc1ccc(OC)c2c1CN(Cc1c(O)cccc1Cl)C[C@@H]2O ZINC000121106745 454391899 /nfs/dbraw/zinc/39/18/99/454391899.db2.gz LAKXBRWQUVAXIH-HNNXBMFYSA-N 1 0 349.814 3.112 20 10 EGCDRO Cc1[nH]ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267338 454521927 /nfs/dbraw/zinc/52/19/27/454521927.db2.gz ICJFRGOPASBEHG-OAHLLOKOSA-N 1 0 347.846 3.077 20 10 EGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000092145655 454528525 /nfs/dbraw/zinc/52/85/25/454528525.db2.gz NGXOEWPINXSSAX-UHFFFAOYSA-N 1 0 348.487 3.261 20 10 EGCDRO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093420544 454714596 /nfs/dbraw/zinc/71/45/96/454714596.db2.gz PWJPEJVRQIEQEL-HUUCEWRRSA-N 1 0 347.480 3.313 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](COCCOC)C2)cc1F ZINC000093754679 454731908 /nfs/dbraw/zinc/73/19/08/454731908.db2.gz HSSBNMBFNVUEEE-QGZVFWFLSA-N 1 0 338.467 3.157 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141394435 454828663 /nfs/dbraw/zinc/82/86/63/454828663.db2.gz DQTXAYHTJAILQI-INIZCTEOSA-N 1 0 343.496 3.466 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c(O)c1 ZINC000154716209 454922973 /nfs/dbraw/zinc/92/29/73/454922973.db2.gz QFMLLRFAIKNOSB-MHECFPHRSA-N 1 0 347.480 3.390 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178436713 454955464 /nfs/dbraw/zinc/95/54/64/454955464.db2.gz QIYZEOGTJMFDFV-ZBFHGGJFSA-N 1 0 338.467 3.110 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1 ZINC000114505993 454958872 /nfs/dbraw/zinc/95/88/72/454958872.db2.gz DBUNRJZIIKSGTC-UHFFFAOYSA-N 1 0 330.403 3.430 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)cc1 ZINC000155256225 454980192 /nfs/dbraw/zinc/98/01/92/454980192.db2.gz TUQXLOHRJYBKTR-UHFFFAOYSA-N 1 0 326.440 3.333 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)ccc1OC ZINC000179047075 455002402 /nfs/dbraw/zinc/00/24/02/455002402.db2.gz TUTFYQWBXBJEHF-FQEVSTJZSA-N 1 0 347.430 3.368 20 10 EGCDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152528460 455132001 /nfs/dbraw/zinc/13/20/01/455132001.db2.gz YUZWHMVWZNUZCE-HZPDHXFCSA-N 1 0 338.467 3.112 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000156831138 455152502 /nfs/dbraw/zinc/15/25/02/455152502.db2.gz WBQPMCIVECXSPW-ZWKOTPCHSA-N 1 0 331.504 3.048 20 10 EGCDRO C[C@H]([NH2+]CCOCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000156901530 455156192 /nfs/dbraw/zinc/15/61/92/455156192.db2.gz CTUKHMUWXGLHED-SFHVURJKSA-N 1 0 340.467 3.391 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000180414914 455165575 /nfs/dbraw/zinc/16/55/75/455165575.db2.gz IUQPXHUKUXNSAZ-FQEVSTJZSA-N 1 0 325.408 3.075 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1Br ZINC000157249699 455176402 /nfs/dbraw/zinc/17/64/02/455176402.db2.gz NOTDJXONJXPRMD-INIZCTEOSA-N 1 0 336.229 3.320 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1O ZINC000237391601 455181045 /nfs/dbraw/zinc/18/10/45/455181045.db2.gz UYVWYZZHNWWRTB-UHFFFAOYSA-N 1 0 335.787 3.115 20 10 EGCDRO C[C@@H](NCc1ccc2c(c1)CCO2)c1nc(Cc2ccccc2)no1 ZINC000237443860 455184773 /nfs/dbraw/zinc/18/47/73/455184773.db2.gz PCMHDFDSEUFAAU-CQSZACIVSA-N 1 0 335.407 3.446 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000183331739 455278510 /nfs/dbraw/zinc/27/85/10/455278510.db2.gz ZOGJTFOXGRGVSR-CVEARBPZSA-N 1 0 328.387 3.378 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000158496741 455308937 /nfs/dbraw/zinc/30/89/37/455308937.db2.gz KNKJPCAMSQUWKA-LSDHHAIUSA-N 1 0 329.419 3.469 20 10 EGCDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000158643514 455318480 /nfs/dbraw/zinc/31/84/80/455318480.db2.gz IJKYPNGJRQBZFT-INIZCTEOSA-N 1 0 346.496 3.267 20 10 EGCDRO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cc2c(cc1O)CCCC2 ZINC000183856496 455333330 /nfs/dbraw/zinc/33/33/30/455333330.db2.gz QXKXUYIHUVGOCK-ZDUSSCGKSA-N 1 0 326.444 3.050 20 10 EGCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000184295064 455368769 /nfs/dbraw/zinc/36/87/69/455368769.db2.gz JKGYDMOSQVOWTR-KRWDZBQOSA-N 1 0 339.483 3.450 20 10 EGCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000184295002 455369371 /nfs/dbraw/zinc/36/93/71/455369371.db2.gz WEMHNQDMDGRJJM-HNNXBMFYSA-N 1 0 343.446 3.341 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1C ZINC000174380119 455384575 /nfs/dbraw/zinc/38/45/75/455384575.db2.gz MMTIXYGRRGRFAO-UHFFFAOYSA-N 1 0 332.488 3.134 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccccn3)C2)cc1 ZINC000174622584 455407360 /nfs/dbraw/zinc/40/73/60/455407360.db2.gz WMQHQOMKYHIOBJ-HNNXBMFYSA-N 1 0 333.382 3.442 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000184710124 455434425 /nfs/dbraw/zinc/43/44/25/455434425.db2.gz PEWLMCBDRSTFMU-CJNGLKHVSA-N 1 0 343.876 3.199 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000182097528 455435261 /nfs/dbraw/zinc/43/52/61/455435261.db2.gz WZIHTYFAEKIXQI-MWTRTKDXSA-N 1 0 333.453 3.000 20 10 EGCDRO COc1cccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1O ZINC000184786534 455448038 /nfs/dbraw/zinc/44/80/38/455448038.db2.gz GMNUNYNTDDNKGO-GOSISDBHSA-N 1 0 327.424 3.174 20 10 EGCDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2cc(C)ccc2O)N2CCOCC2)o1 ZINC000184909278 455470430 /nfs/dbraw/zinc/47/04/30/455470430.db2.gz BCYYTFGLAJCHQK-AEFFLSMTSA-N 1 0 344.455 3.326 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC000184967278 455479508 /nfs/dbraw/zinc/47/95/08/455479508.db2.gz MRAIPPXWCIRKIS-AWEZNQCLSA-N 1 0 328.412 3.249 20 10 EGCDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185027520 455487502 /nfs/dbraw/zinc/48/75/02/455487502.db2.gz OPVCHDGLPONSJI-CYBMUJFWSA-N 1 0 328.412 3.001 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC000185069149 455495745 /nfs/dbraw/zinc/49/57/45/455495745.db2.gz GXTAHPZYOLLYHW-MRXNPFEDSA-N 1 0 325.456 3.411 20 10 EGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185155340 455512419 /nfs/dbraw/zinc/51/24/19/455512419.db2.gz QLMVSMXEAVVKKP-QWRGUYRKSA-N 1 0 343.265 3.110 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000185170597 455515165 /nfs/dbraw/zinc/51/51/65/455515165.db2.gz SLYCQUIVWFKGEH-CHWSQXEVSA-N 1 0 349.452 3.216 20 10 EGCDRO CCN1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000161184350 455545599 /nfs/dbraw/zinc/54/55/99/455545599.db2.gz IKPNZHXEKFEXNS-IBGZPJMESA-N 1 0 331.504 3.128 20 10 EGCDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3cc(C)ccc3O)CC2)ncn1 ZINC000185642481 455588557 /nfs/dbraw/zinc/58/85/57/455588557.db2.gz ZAVXPCYEMDXOTL-HNNXBMFYSA-N 1 0 340.471 3.373 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3[O-])CC2)nc(C)n1 ZINC000185654804 455590402 /nfs/dbraw/zinc/59/04/02/455590402.db2.gz FFGBYINOROYRGR-CYBMUJFWSA-N 1 0 344.434 3.258 20 10 EGCDRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000185701657 455600992 /nfs/dbraw/zinc/60/09/92/455600992.db2.gz VMPOZQRXAKNAQP-DGCLKSJQSA-N 1 0 344.249 3.001 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@](=O)C1 ZINC000277569228 455601083 /nfs/dbraw/zinc/60/10/83/455601083.db2.gz SMLLWYOSWKZCJL-CMJOXMDJSA-N 1 0 329.465 3.260 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c(O)c1 ZINC000186025003 455678628 /nfs/dbraw/zinc/67/86/28/455678628.db2.gz FSVJQPQGBLZGET-GFCCVEGCSA-N 1 0 334.366 3.059 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000186049497 455684611 /nfs/dbraw/zinc/68/46/11/455684611.db2.gz QUEIYVLQPXNIPJ-CQSZACIVSA-N 1 0 329.396 3.103 20 10 EGCDRO C[C@@]12CC[N@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]1C2(Cl)Cl ZINC000284544189 455704038 /nfs/dbraw/zinc/70/40/38/455704038.db2.gz VRQCNINALBQDMH-UONOGXRCSA-N 1 0 330.211 3.137 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc(F)ccc1O ZINC000186195713 455714317 /nfs/dbraw/zinc/71/43/17/455714317.db2.gz BCUHCCKBCSYHBX-RDTXWAMCSA-N 1 0 342.414 3.373 20 10 EGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000268972672 455750083 /nfs/dbraw/zinc/75/00/83/455750083.db2.gz ZJHJCXOSRWQZIL-MGPQQGTHSA-N 1 0 328.403 3.270 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc2ccccc2c1O ZINC000186375412 455755290 /nfs/dbraw/zinc/75/52/90/455755290.db2.gz PWEVNSUSAGNGRC-ZBFHGGJFSA-N 1 0 343.423 3.118 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284910049 455761110 /nfs/dbraw/zinc/76/11/10/455761110.db2.gz CPCRTWGFRCZLQE-OAHLLOKOSA-N 1 0 343.423 3.412 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1N(C)C ZINC000293470167 455787685 /nfs/dbraw/zinc/78/76/85/455787685.db2.gz DZRCWKULTCUHRW-CABCVRRESA-N 1 0 330.394 3.054 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)cc1OC ZINC000271870226 455793455 /nfs/dbraw/zinc/79/34/55/455793455.db2.gz XJPLLNDQPJEGGJ-CWTRNNRKSA-N 1 0 349.402 3.414 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N2CCCCCC2)cc1 ZINC000293720659 455796314 /nfs/dbraw/zinc/79/63/14/455796314.db2.gz NOWIOWDMORCMDP-AHRSYUTCSA-N 1 0 332.488 3.258 20 10 EGCDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000285175947 455800629 /nfs/dbraw/zinc/80/06/29/455800629.db2.gz NBRWNZNKGHBDIJ-HNNXBMFYSA-N 1 0 342.439 3.098 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c(O)c1 ZINC000293945039 455800782 /nfs/dbraw/zinc/80/07/82/455800782.db2.gz YWIHFQVFRWCXFX-OAHLLOKOSA-N 1 0 347.480 3.404 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1N(C)C ZINC000294024911 455802712 /nfs/dbraw/zinc/80/27/12/455802712.db2.gz HREDDSVTAQJTGX-GDBMZVCRSA-N 1 0 330.394 3.196 20 10 EGCDRO Cc1n[nH]c(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000294072607 455805148 /nfs/dbraw/zinc/80/51/48/455805148.db2.gz HWGRFFACPVJPHH-SFHVURJKSA-N 1 0 336.439 3.325 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285305951 455822010 /nfs/dbraw/zinc/82/20/10/455822010.db2.gz WDWBSIJVWCTYPP-HIFRSBDPSA-N 1 0 326.234 3.298 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000285338093 455825812 /nfs/dbraw/zinc/82/58/12/455825812.db2.gz UPGVJPFWLJHJDL-OAHLLOKOSA-N 1 0 330.428 3.381 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772722 455827927 /nfs/dbraw/zinc/82/79/27/455827927.db2.gz KGYBOFVXKSYBKC-ZIAGYGMSSA-N 1 0 334.460 3.075 20 10 EGCDRO COc1ccc(O)c([C@H](C)NCc2ncc(C(F)(F)F)cn2)c1 ZINC000295011738 455835345 /nfs/dbraw/zinc/83/53/45/455835345.db2.gz MCOPPYLXQFBBPM-VIFPVBQESA-N 1 0 327.306 3.060 20 10 EGCDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000186868858 455845065 /nfs/dbraw/zinc/84/50/65/455845065.db2.gz ZCAVTIMFLZFVJT-CQSZACIVSA-N 1 0 335.469 3.411 20 10 EGCDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295583043 455854134 /nfs/dbraw/zinc/85/41/34/455854134.db2.gz SFBZFZXNQVCKIQ-SJLPKXTDSA-N 1 0 332.488 3.301 20 10 EGCDRO CC(C)(CO)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccs1 ZINC000296088401 455868560 /nfs/dbraw/zinc/86/85/60/455868560.db2.gz SOBGYIZOFRWSLT-MRXNPFEDSA-N 1 0 335.425 3.032 20 10 EGCDRO CCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](O)c1ccccc1 ZINC000279615359 455868818 /nfs/dbraw/zinc/86/88/18/455868818.db2.gz GDOOGUAOUJWCRP-OXQOHEQNSA-N 1 0 345.439 3.401 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1C ZINC000270324149 455928485 /nfs/dbraw/zinc/92/84/85/455928485.db2.gz YZLJONFCAHDCJZ-LJQANCHMSA-N 1 0 338.451 3.142 20 10 EGCDRO CC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000296507061 455958197 /nfs/dbraw/zinc/95/81/97/455958197.db2.gz LUZHZUITKDGLHA-UHFFFAOYSA-N 1 0 338.451 3.358 20 10 EGCDRO OC[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1OC(F)(F)F ZINC000280411792 455967085 /nfs/dbraw/zinc/96/70/85/455967085.db2.gz YOOKJLBXYRHQLT-CYBMUJFWSA-N 1 0 327.302 3.114 20 10 EGCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296553963 455972160 /nfs/dbraw/zinc/97/21/60/455972160.db2.gz TVPLHNFCLRSTPH-WMLDXEAASA-N 1 0 345.464 3.140 20 10 EGCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296553953 455972455 /nfs/dbraw/zinc/97/24/55/455972455.db2.gz TVPLHNFCLRSTPH-PBHICJAKSA-N 1 0 345.464 3.140 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1 ZINC000296692378 456011846 /nfs/dbraw/zinc/01/18/46/456011846.db2.gz HPWCJHVPUQCPPU-IBGZPJMESA-N 1 0 343.496 3.082 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC2([S@](C)=O)CCC2)c(C(F)(F)F)c1 ZINC000280620447 456015056 /nfs/dbraw/zinc/01/50/56/456015056.db2.gz KZJFBCXCPBLCSY-QHCPKHFHSA-N 1 0 348.434 3.162 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CC2([S@](C)=O)CCC2)cc1F ZINC000280742090 456042389 /nfs/dbraw/zinc/04/23/89/456042389.db2.gz WXYGPFVEEAQFBK-QFIPXVFZSA-N 1 0 326.481 3.063 20 10 EGCDRO CC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cccc(Cl)c1[O-] ZINC000286817481 456055328 /nfs/dbraw/zinc/05/53/28/456055328.db2.gz BYQRMEVTOSGNPC-OAHLLOKOSA-N 1 0 326.868 3.197 20 10 EGCDRO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccccc1O ZINC000287518113 456071147 /nfs/dbraw/zinc/07/11/47/456071147.db2.gz ZOBIVNZYCABVDL-GJZGRUSLSA-N 1 0 328.412 3.053 20 10 EGCDRO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1[O-] ZINC000287603340 456073056 /nfs/dbraw/zinc/07/30/56/456073056.db2.gz ISWKZGAGQPDCAG-WMLDXEAASA-N 1 0 340.895 3.323 20 10 EGCDRO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1[O-] ZINC000287603336 456073970 /nfs/dbraw/zinc/07/39/70/456073970.db2.gz ISWKZGAGQPDCAG-RHSMWYFYSA-N 1 0 340.895 3.323 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1O ZINC000288443695 456096324 /nfs/dbraw/zinc/09/63/24/456096324.db2.gz MFKIIMWBIIIEGA-MAUKXSAKSA-N 1 0 326.440 3.153 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000288515003 456098165 /nfs/dbraw/zinc/09/81/65/456098165.db2.gz UBRJVOHBAAZMTI-ZDUSSCGKSA-N 1 0 348.830 3.146 20 10 EGCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(Br)cc1O ZINC000280987192 456102307 /nfs/dbraw/zinc/10/23/07/456102307.db2.gz JKXHMJWWQIEOBE-APBUJDDRSA-N 1 0 346.290 3.107 20 10 EGCDRO OCCC[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccn1 ZINC000289492694 456127220 /nfs/dbraw/zinc/12/72/20/456127220.db2.gz RVDPHNAWKDHXLB-UHFFFAOYSA-N 1 0 339.483 3.457 20 10 EGCDRO Cc1cn[nH]c1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000289521946 456128757 /nfs/dbraw/zinc/12/87/57/456128757.db2.gz NVIZREIVSUXJAM-ZDUSSCGKSA-N 1 0 336.386 3.078 20 10 EGCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)ccc1O ZINC000281110326 456136663 /nfs/dbraw/zinc/13/66/63/456136663.db2.gz RNUJZDOJCSAMQX-DGIBIBHMSA-N 1 0 346.290 3.107 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000273049486 456159544 /nfs/dbraw/zinc/15/95/44/456159544.db2.gz YDTNPEIPYDDVEB-BUBHHJDNSA-N 1 0 349.427 3.322 20 10 EGCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000271184465 456159754 /nfs/dbraw/zinc/15/97/54/456159754.db2.gz MSUQICIYDGIWCN-LJQANCHMSA-N 1 0 342.483 3.452 20 10 EGCDRO C[C@]1([NH2+]Cc2cc(Br)ccc2O)CCO[C@H]1C1CC1 ZINC000273082564 456171464 /nfs/dbraw/zinc/17/14/64/456171464.db2.gz JHBJFBPYMJEDOZ-GJZGRUSLSA-N 1 0 326.234 3.202 20 10 EGCDRO C[C@@]1([NH2+]Cc2cc(Br)ccc2O)CCO[C@H]1C1CC1 ZINC000273082568 456173687 /nfs/dbraw/zinc/17/36/87/456173687.db2.gz JHBJFBPYMJEDOZ-LSDHHAIUSA-N 1 0 326.234 3.202 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1O ZINC000263720285 456201821 /nfs/dbraw/zinc/20/18/21/456201821.db2.gz WBQOEISWJIWLOM-GFCCVEGCSA-N 1 0 326.396 3.136 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)ccc1OCCO ZINC000273299394 456222787 /nfs/dbraw/zinc/22/27/87/456222787.db2.gz BAAZAXHWTMYDCI-HNNXBMFYSA-N 1 0 345.439 3.240 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000273390227 456226574 /nfs/dbraw/zinc/22/65/74/456226574.db2.gz KKBRETWALKDFQJ-HNNXBMFYSA-N 1 0 342.439 3.088 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c(O)c1C ZINC000273431113 456230289 /nfs/dbraw/zinc/23/02/89/456230289.db2.gz VRVRZEKSMYKSFM-AWEZNQCLSA-N 1 0 330.403 3.229 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1O ZINC000273489438 456234601 /nfs/dbraw/zinc/23/46/01/456234601.db2.gz OAUOLOSIMRZBPI-DYVFJYSZSA-N 1 0 344.842 3.497 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Br)ccc2O)o1 ZINC000273595144 456240926 /nfs/dbraw/zinc/24/09/26/456240926.db2.gz QJDJQZZDTHXWQF-HZMBPMFUSA-N 1 0 340.217 3.440 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1 ZINC000273739647 456243885 /nfs/dbraw/zinc/24/38/85/456243885.db2.gz LQJMKHOTGRATKN-UHFFFAOYSA-N 1 0 327.424 3.321 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCC3CCOCC3)CC2)cc1F ZINC000274232988 456252633 /nfs/dbraw/zinc/25/26/33/456252633.db2.gz SWTUHDDPFMEACV-UHFFFAOYSA-N 1 0 336.451 3.163 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000290190977 456263234 /nfs/dbraw/zinc/26/32/34/456263234.db2.gz ORVYLFACSJKSJI-HXUWFJFHSA-N 1 0 329.415 3.267 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1nccs1 ZINC000282452335 456519053 /nfs/dbraw/zinc/51/90/53/456519053.db2.gz LWOBSXZHIZZPSW-ZDUSSCGKSA-N 1 0 333.457 3.478 20 10 EGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CS1 ZINC000276826714 456593033 /nfs/dbraw/zinc/59/30/33/456593033.db2.gz BAXQBEDVZMHTQY-QAPCUYQASA-N 1 0 338.492 3.282 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1O ZINC000291644923 456707272 /nfs/dbraw/zinc/70/72/72/456707272.db2.gz CAUVUOLDDWWRBS-HNNXBMFYSA-N 1 0 330.403 3.299 20 10 EGCDRO CCC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccccc1O ZINC000299674980 456760801 /nfs/dbraw/zinc/76/08/01/456760801.db2.gz TUMNOLBPIXEHLN-UHFFFAOYSA-N 1 0 328.412 3.252 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNc3cncc(Cl)n3)cc2F)CC1 ZINC000301209645 456823387 /nfs/dbraw/zinc/82/33/87/456823387.db2.gz VSUYXBIHUPDGJN-UHFFFAOYSA-N 1 0 349.841 3.023 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000352120074 457340008 /nfs/dbraw/zinc/34/00/08/457340008.db2.gz IARZKKYTOHKXAP-UHFFFAOYSA-N 1 0 335.451 3.478 20 10 EGCDRO Cc1cc[nH]c1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373898431 457390165 /nfs/dbraw/zinc/39/01/65/457390165.db2.gz FSSDQOUIORCYJA-OAHLLOKOSA-N 1 0 347.846 3.077 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)CC2)cc1 ZINC000363880745 457460223 /nfs/dbraw/zinc/46/02/23/457460223.db2.gz XZTXAKDOTMCXQY-GOSISDBHSA-N 1 0 331.504 3.082 20 10 EGCDRO COC(=O)c1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)n(C)c1C ZINC000361123637 457596611 /nfs/dbraw/zinc/59/66/11/457596611.db2.gz OZYRKAYCOLTDIX-UHFFFAOYSA-N 1 0 339.439 3.210 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1O ZINC000374742298 457698809 /nfs/dbraw/zinc/69/88/09/457698809.db2.gz IJZGHJPMQXEHLB-UHFFFAOYSA-N 1 0 331.416 3.036 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000366746723 457894521 /nfs/dbraw/zinc/89/45/21/457894521.db2.gz RHRNAYZOUUXWQH-CZUORRHYSA-N 1 0 340.920 3.353 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000368564787 458045955 /nfs/dbraw/zinc/04/59/55/458045955.db2.gz VSMYVYCEAAXKMB-RBUKOAKNSA-N 1 0 342.487 3.060 20 10 EGCDRO C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000368947999 458066524 /nfs/dbraw/zinc/06/65/24/458066524.db2.gz ABOKKSBHGBHPCI-UHFFFAOYSA-N 1 0 339.823 3.014 20 10 EGCDRO CCc1nc(C)cc(N2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000376112896 458200664 /nfs/dbraw/zinc/20/06/64/458200664.db2.gz IZWWAYXIPNVJCU-UHFFFAOYSA-N 1 0 326.444 3.073 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000418037308 458371409 /nfs/dbraw/zinc/37/14/09/458371409.db2.gz XDVORRVBJOEXMJ-UHFFFAOYSA-N 1 0 335.451 3.478 20 10 EGCDRO CC[N@H+](CCNC(=O)NCc1c(C)c2ccccc2n1C)C(C)C ZINC000471817581 458736245 /nfs/dbraw/zinc/73/62/45/458736245.db2.gz VCKZRJNMEJCJNR-UHFFFAOYSA-N 1 0 330.476 3.016 20 10 EGCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000726237804 574546781 /nfs/dbraw/zinc/54/67/81/574546781.db2.gz MVWMLQZOSJLECS-QAPCUYQASA-N 1 0 339.439 3.027 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000731024962 575045363 /nfs/dbraw/zinc/04/53/63/575045363.db2.gz GOYQIBUPIQKSAT-SFHVURJKSA-N 1 0 339.483 3.474 20 10 EGCDRO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000731848396 575212457 /nfs/dbraw/zinc/21/24/57/575212457.db2.gz XUDWJFFCDNFHDC-UHFFFAOYSA-N 1 0 329.400 3.072 20 10 EGCDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000731870375 575213929 /nfs/dbraw/zinc/21/39/29/575213929.db2.gz XKSBIDPVWUKXHV-UHFFFAOYSA-N 1 0 348.468 3.104 20 10 EGCDRO O=C(C[NH2+]Cc1ccccc1O)Nc1cc(Cl)ccc1Cl ZINC000732227652 575248455 /nfs/dbraw/zinc/24/84/55/575248455.db2.gz AYPLRYJSNPXYOJ-UHFFFAOYSA-N 1 0 325.195 3.427 20 10 EGCDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1=CC(=O)CS1 ZINC000732278703 575253847 /nfs/dbraw/zinc/25/38/47/575253847.db2.gz SJAWSROTZQNNBS-OAHLLOKOSA-N 1 0 330.453 3.096 20 10 EGCDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000733325535 575327812 /nfs/dbraw/zinc/32/78/12/575327812.db2.gz IXWOQNRBESDUQU-CQSZACIVSA-N 1 0 335.831 3.192 20 10 EGCDRO CC[N@H+](C)[C@H](C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000733972779 575419606 /nfs/dbraw/zinc/41/96/06/575419606.db2.gz LRBMBXYZYFHCJX-HNNXBMFYSA-N 1 0 349.525 3.435 20 10 EGCDRO CCC(CC)(CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000734843349 575559077 /nfs/dbraw/zinc/55/90/77/575559077.db2.gz KRGRXQPDCAEBAU-UHFFFAOYSA-N 1 0 335.448 3.226 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000734844161 575559496 /nfs/dbraw/zinc/55/94/96/575559496.db2.gz WUIKZQRAANNNLK-NVXWUHKLSA-N 1 0 339.357 3.325 20 10 EGCDRO Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)Cc3ccccc3O)C2=O)c1 ZINC000735670812 575697791 /nfs/dbraw/zinc/69/77/91/575697791.db2.gz UHDCUMICBISUKE-KRWDZBQOSA-N 1 0 342.414 3.467 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000742377277 576776316 /nfs/dbraw/zinc/77/63/16/576776316.db2.gz RCAYOEHEOAQSKX-GOEBONIOSA-N 1 0 333.432 3.100 20 10 EGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743500262 576810593 /nfs/dbraw/zinc/81/05/93/576810593.db2.gz UYWJSICVBVUKSG-NVXWUHKLSA-N 1 0 349.475 3.472 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccccn2)ccc1N1CCCCC1 ZINC000743503160 576810618 /nfs/dbraw/zinc/81/06/18/576810618.db2.gz JOLXMXYXKLBTCC-UHFFFAOYSA-N 1 0 340.427 3.312 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1 ZINC000743553439 576811855 /nfs/dbraw/zinc/81/18/55/576811855.db2.gz LCXSOUAZJKBRDT-LJQANCHMSA-N 1 0 346.519 3.159 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1cccc(C)c1 ZINC000743869854 576817874 /nfs/dbraw/zinc/81/78/74/576817874.db2.gz CNWIYXAULUGTQJ-SFHVURJKSA-N 1 0 329.440 3.353 20 10 EGCDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000744450339 576828806 /nfs/dbraw/zinc/82/88/06/576828806.db2.gz RNMWPHWGOHELQQ-INIZCTEOSA-N 1 0 346.475 3.017 20 10 EGCDRO CC[NH+](CC)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745245588 576844248 /nfs/dbraw/zinc/84/42/48/576844248.db2.gz ZIWPNZUXNUKNMM-UHFFFAOYSA-N 1 0 334.508 3.014 20 10 EGCDRO Cc1ncsc1CC[NH2+]Cc1c(O)cccc1Br ZINC000706843713 1298222102 /nfs/dbraw/zinc/22/21/02/1298222102.db2.gz CHRFZXAZJMXNKV-UHFFFAOYSA-N 1 0 327.247 3.252 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c(O)c1 ZINC000877572302 1299407009 /nfs/dbraw/zinc/40/70/09/1299407009.db2.gz OMZRIUAQWUKOFO-BPQIPLTHSA-N 1 0 329.444 3.184 20 10 EGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000006999416 1291055614 /nfs/dbraw/zinc/05/56/14/1291055614.db2.gz YNISMBAWYROXSE-OAHLLOKOSA-N 1 0 343.423 3.329 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000024980208 1291252255 /nfs/dbraw/zinc/25/22/55/1291252255.db2.gz JWLJDWHCEHMATE-UHFFFAOYSA-N 1 0 339.399 3.100 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1C(C)C ZINC000042096304 1291428756 /nfs/dbraw/zinc/42/87/56/1291428756.db2.gz KVIMQGMTELXMQW-UHFFFAOYSA-N 1 0 330.472 3.315 20 10 EGCDRO Cn1cc(CCC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000054316043 1291749652 /nfs/dbraw/zinc/74/96/52/1291749652.db2.gz HWPZZZLCKIQMTP-UHFFFAOYSA-N 1 0 326.488 3.475 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1O ZINC000827734487 1292362330 /nfs/dbraw/zinc/36/23/30/1292362330.db2.gz YOXVXCWJJMFGGE-BLLLJJGKSA-N 1 0 335.831 3.308 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1)C1CCCCC1 ZINC000827820932 1292381290 /nfs/dbraw/zinc/38/12/90/1292381290.db2.gz HHTHGIWJFGTLHX-SFHVURJKSA-N 1 0 329.488 3.070 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1N1CCCCC1 ZINC000828037016 1292421384 /nfs/dbraw/zinc/42/13/84/1292421384.db2.gz RUBGVTBVZZAWKE-SFTDATJTSA-N 1 0 344.499 3.365 20 10 EGCDRO CNC(=O)C1([NH2+]Cc2ccc(N3CCCCC3)c(C)c2)CCCC1 ZINC000828304705 1292452585 /nfs/dbraw/zinc/45/25/85/1292452585.db2.gz BUQOVDJFBTZPJK-UHFFFAOYSA-N 1 0 329.488 3.134 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000828666189 1292487821 /nfs/dbraw/zinc/48/78/21/1292487821.db2.gz BOPZDEJTQPLOJS-CXAGYDPISA-N 1 0 328.412 3.058 20 10 EGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828987855 1292525219 /nfs/dbraw/zinc/52/52/19/1292525219.db2.gz MNRQTTDFTDZIDD-BEFAXECRSA-N 1 0 329.488 3.071 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2C)cc1F ZINC000829038575 1292530472 /nfs/dbraw/zinc/53/04/72/1292530472.db2.gz KTXCACGYXTZVQC-LJQANCHMSA-N 1 0 343.446 3.297 20 10 EGCDRO Cc1cc(C[N@@H+](C)[C@H](CO)COC(C)C)ccc1N1CCCCC1 ZINC000829233698 1292556088 /nfs/dbraw/zinc/55/60/88/1292556088.db2.gz DVOVPSFBIGYMOW-LJQANCHMSA-N 1 0 334.504 3.203 20 10 EGCDRO Cc1cc(C(=O)CSCC[NH+](C)C)c(C)n1-c1ccc(F)cn1 ZINC000829290986 1292558574 /nfs/dbraw/zinc/55/85/74/1292558574.db2.gz ITXANFQGWUZOJJ-UHFFFAOYSA-N 1 0 335.448 3.106 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000829764482 1292617281 /nfs/dbraw/zinc/61/72/81/1292617281.db2.gz MLJGHWDWLOZPGL-IBGZPJMESA-N 1 0 339.483 3.403 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000090182263 1292789589 /nfs/dbraw/zinc/78/95/89/1292789589.db2.gz BLFZLMKZHKEDSC-FUHWJXTLSA-N 1 0 341.499 3.481 20 10 EGCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000091964062 1292852000 /nfs/dbraw/zinc/85/20/00/1292852000.db2.gz BPRVAVKWNFTJOK-CQSZACIVSA-N 1 0 328.250 3.402 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000092784388 1292889419 /nfs/dbraw/zinc/88/94/19/1292889419.db2.gz CEHKWVOFTGECSZ-LJQANCHMSA-N 1 0 338.451 3.485 20 10 EGCDRO Cc1ccc(CCCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832266488 1292978465 /nfs/dbraw/zinc/97/84/65/1292978465.db2.gz GPZRHVQGRKUESE-SFHVURJKSA-N 1 0 345.512 3.261 20 10 EGCDRO C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000832273306 1292979800 /nfs/dbraw/zinc/97/98/00/1292979800.db2.gz NFFZQKDMGZMYFF-IFXJQAMLSA-N 1 0 343.446 3.202 20 10 EGCDRO C[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1F ZINC000832280824 1292980596 /nfs/dbraw/zinc/98/05/96/1292980596.db2.gz QXPDMBRDZFSLIH-LIRRHRJNSA-N 1 0 343.446 3.202 20 10 EGCDRO C[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000832279314 1292980669 /nfs/dbraw/zinc/98/06/69/1292980669.db2.gz IXIRLRIYPNLEBA-KXBFYZLASA-N 1 0 331.504 3.475 20 10 EGCDRO COC1CCN(c2ccc(CN(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000832783227 1293044918 /nfs/dbraw/zinc/04/49/18/1293044918.db2.gz PJJZPUBWRFQFSK-HXUWFJFHSA-N 1 0 345.531 3.216 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000108343864 1293080090 /nfs/dbraw/zinc/08/00/90/1293080090.db2.gz XZWVIQCAFPVDDJ-QGZVFWFLSA-N 1 0 325.456 3.166 20 10 EGCDRO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235405 1293101742 /nfs/dbraw/zinc/10/17/42/1293101742.db2.gz HKTFVWUFQNLJOV-OAHLLOKOSA-N 1 0 342.439 3.052 20 10 EGCDRO O=C(c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1)N1CCCC1 ZINC000834537829 1293113790 /nfs/dbraw/zinc/11/37/90/1293113790.db2.gz KPRBXZGMDBIBQJ-SFHVURJKSA-N 1 0 336.435 3.405 20 10 EGCDRO Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)c(N2CCOCC2)c1 ZINC000834619435 1293123852 /nfs/dbraw/zinc/12/38/52/1293123852.db2.gz HCDPLMVRLDHMMH-SFHVURJKSA-N 1 0 338.451 3.314 20 10 EGCDRO O=C(C1CCC1)N(CCC[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000834640493 1293125825 /nfs/dbraw/zinc/12/58/25/1293125825.db2.gz MVPWMFIGBHRQRI-KRWDZBQOSA-N 1 0 328.456 3.150 20 10 EGCDRO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1c1ccc(Cl)cc1 ZINC000834662657 1293129497 /nfs/dbraw/zinc/12/94/97/1293129497.db2.gz BHGIIMGMYCOZAP-HOTGVXAUSA-N 1 0 342.826 3.428 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)N1c2ccccc2C[C@H]1C ZINC000834903038 1293170390 /nfs/dbraw/zinc/17/03/90/1293170390.db2.gz HKHMGMHPYMJKFE-JKIFEVAISA-N 1 0 336.435 3.335 20 10 EGCDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)cn1 ZINC000834908077 1293173346 /nfs/dbraw/zinc/17/33/46/1293173346.db2.gz GSDCRWQQAGIITF-NSHDSACASA-N 1 0 336.233 3.146 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1 ZINC000834913503 1293175217 /nfs/dbraw/zinc/17/52/17/1293175217.db2.gz PXWYOXRKLQTTQI-VDZJLULYSA-N 1 0 342.487 3.447 20 10 EGCDRO COCCOc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000115629456 1293192785 /nfs/dbraw/zinc/19/27/85/1293192785.db2.gz GQPAGVQNZMXCFH-UHFFFAOYSA-N 1 0 328.456 3.376 20 10 EGCDRO O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C[C@@H]2CCCCN12 ZINC000835074659 1293201040 /nfs/dbraw/zinc/20/10/40/1293201040.db2.gz SMBCFUOVNWBYHG-RBUKOAKNSA-N 1 0 336.435 3.302 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]CCc2nnc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000119180649 1293258307 /nfs/dbraw/zinc/25/83/07/1293258307.db2.gz BCYYFYQYVWPRKP-UHFFFAOYSA-N 1 0 330.476 3.438 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc1 ZINC000124950211 1293490346 /nfs/dbraw/zinc/49/03/46/1293490346.db2.gz BUJUHJJHISHBRC-VAMGGRTRSA-N 1 0 330.472 3.211 20 10 EGCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000125399703 1293507157 /nfs/dbraw/zinc/50/71/57/1293507157.db2.gz WQTDSRSPEATKMM-INIZCTEOSA-N 1 0 332.488 3.346 20 10 EGCDRO CC(=O)N(C)C1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000128758287 1293603161 /nfs/dbraw/zinc/60/31/61/1293603161.db2.gz NCWSODFTJCJGOC-UHFFFAOYSA-N 1 0 332.488 3.441 20 10 EGCDRO C[C@@H]1CCC[C@@](CNC(=O)N(C)Cc2ccccc2O)([NH+](C)C)C1 ZINC000131779772 1293700647 /nfs/dbraw/zinc/70/06/47/1293700647.db2.gz DYBPULITEGUNEJ-DNVCBOLYSA-N 1 0 333.476 3.044 20 10 EGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000133022412 1293735472 /nfs/dbraw/zinc/73/54/72/1293735472.db2.gz ASSLRDNBQFOJCP-MRXNPFEDSA-N 1 0 330.815 3.283 20 10 EGCDRO CCOCCO[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000138436956 1293835381 /nfs/dbraw/zinc/83/53/81/1293835381.db2.gz VTDVQEMQVBOUTO-KRWDZBQOSA-N 1 0 345.439 3.181 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000154045928 1294039382 /nfs/dbraw/zinc/03/93/82/1294039382.db2.gz YCQUUXAROGPOLF-MLGOLLRUSA-N 1 0 329.419 3.185 20 10 EGCDRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000155305582 1294092144 /nfs/dbraw/zinc/09/21/44/1294092144.db2.gz WLNZKNSYZKCEBP-CABCVRRESA-N 1 0 340.471 3.342 20 10 EGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000158026283 1294194539 /nfs/dbraw/zinc/19/45/39/1294194539.db2.gz OLTXCYHQLARZEB-HNNXBMFYSA-N 1 0 341.293 3.379 20 10 EGCDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000159021581 1294223479 /nfs/dbraw/zinc/22/34/79/1294223479.db2.gz GDICIYQUJSFXRJ-MRXNPFEDSA-N 1 0 343.446 3.305 20 10 EGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160473465 1294268622 /nfs/dbraw/zinc/26/86/22/1294268622.db2.gz YIHHHQSGZGPJQW-HNNXBMFYSA-N 1 0 335.444 3.265 20 10 EGCDRO Cc1ccccc1OCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161776899 1294299328 /nfs/dbraw/zinc/29/93/28/1294299328.db2.gz XXPKNDPMHLKHKT-UHFFFAOYSA-N 1 0 340.467 3.342 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000172485901 1294437747 /nfs/dbraw/zinc/43/77/47/1294437747.db2.gz AVGFQMBIHIGRTQ-QGZVFWFLSA-N 1 0 332.488 3.456 20 10 EGCDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@H](N2CC=CC2)C1)CCCC3 ZINC000172931403 1294450018 /nfs/dbraw/zinc/45/00/18/1294450018.db2.gz MKKIRCZSYGDHTJ-HNNXBMFYSA-N 1 0 338.451 3.463 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(C)n1-c1ccccn1 ZINC000175794529 1294574896 /nfs/dbraw/zinc/57/48/96/1294574896.db2.gz LCHFEGUDJDTLSX-MRXNPFEDSA-N 1 0 342.487 3.195 20 10 EGCDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178489168 1294738319 /nfs/dbraw/zinc/73/83/19/1294738319.db2.gz GNOFLUQRYJHDHT-SJORKVTESA-N 1 0 329.488 3.338 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000178711905 1294751638 /nfs/dbraw/zinc/75/16/38/1294751638.db2.gz ANQMMASDKWBKQA-JXFKEZNVSA-N 1 0 339.483 3.485 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000178712163 1294751735 /nfs/dbraw/zinc/75/17/35/1294751735.db2.gz LTWJLOKFRMXRTK-WMZOPIPTSA-N 1 0 331.504 3.175 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000178712464 1294752188 /nfs/dbraw/zinc/75/21/88/1294752188.db2.gz XINUQMYKIVRDSF-MRXNPFEDSA-N 1 0 331.504 3.175 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1F ZINC000180264757 1294876632 /nfs/dbraw/zinc/87/66/32/1294876632.db2.gz KLTRXYQBOMBLCZ-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2cc(C)ccc2C)c1 ZINC000182362422 1295039433 /nfs/dbraw/zinc/03/94/33/1295039433.db2.gz JLMWBEAQYUCKHF-HZPDHXFCSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2cc(C)cc(C)c2)c1 ZINC000182407780 1295043416 /nfs/dbraw/zinc/04/34/16/1295043416.db2.gz YHHGOEKBUQEQBN-HOTGVXAUSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2C)c1 ZINC000182428116 1295045389 /nfs/dbraw/zinc/04/53/89/1295045389.db2.gz UVPDGOMGFURGTD-HNNXBMFYSA-N 1 0 342.439 3.018 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000182467107 1295050859 /nfs/dbraw/zinc/05/08/59/1295050859.db2.gz YUPZNPIGRMHXMR-SNVBAGLBSA-N 1 0 333.359 3.299 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)c1ccccc1 ZINC000183363928 1295113921 /nfs/dbraw/zinc/11/39/21/1295113921.db2.gz LIDQPICTXZGGLM-IAGOWNOFSA-N 1 0 339.483 3.151 20 10 EGCDRO CC/C=C/CC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000185449751 1295264167 /nfs/dbraw/zinc/26/41/67/1295264167.db2.gz YBXKJLRKZJCWRY-VOTSOKGWSA-N 1 0 334.460 3.191 20 10 EGCDRO COC(=O)[C@@](C)(C[NH2+]Cc1cc(C)c(C)cc1O)c1ccccc1 ZINC000191580399 1295691243 /nfs/dbraw/zinc/69/12/43/1295691243.db2.gz VDZDHGKVWWDIGR-FQEVSTJZSA-N 1 0 327.424 3.230 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000195565061 1296075624 /nfs/dbraw/zinc/07/56/24/1296075624.db2.gz GNGZPFSQGUHWFZ-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000870964553 1296158849 /nfs/dbraw/zinc/15/88/49/1296158849.db2.gz GOEGGSRIIXOLIG-OTVXOJSOSA-N 1 0 331.847 3.215 20 10 EGCDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000237129333 1296221766 /nfs/dbraw/zinc/22/17/66/1296221766.db2.gz YFLZCXKPTWADPP-KRWDZBQOSA-N 1 0 325.456 3.227 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(F)ccc1O ZINC000311844317 1297112998 /nfs/dbraw/zinc/11/29/98/1297112998.db2.gz OCOZIZOIZHHCQF-MAUKXSAKSA-N 1 0 344.430 3.083 20 10 EGCDRO CN(c1ccc(C[NH2+][C@@H]2CCNC(=O)CC2)cc1)C1CCCCC1 ZINC000873030000 1297234260 /nfs/dbraw/zinc/23/42/60/1297234260.db2.gz YRPJYRXIKICVED-KRWDZBQOSA-N 1 0 329.488 3.214 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccncc2)cc1Cn1cccn1 ZINC000873072698 1297259835 /nfs/dbraw/zinc/25/98/35/1297259835.db2.gz YMIITWXZYOWUOP-INIZCTEOSA-N 1 0 336.439 3.056 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1Cn1cccn1 ZINC000873103419 1297272735 /nfs/dbraw/zinc/27/27/35/1297272735.db2.gz BVPGHNDPGLJGSK-IRXDYDNUSA-N 1 0 343.471 3.235 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1C ZINC000873122702 1297281497 /nfs/dbraw/zinc/28/14/97/1297281497.db2.gz UUDKKNMUWAWZSI-ICSRJNTNSA-N 1 0 347.499 3.441 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1 ZINC000873195218 1297340953 /nfs/dbraw/zinc/34/09/53/1297340953.db2.gz ZJBIVJYYKZDVAY-NHCUHLMSSA-N 1 0 340.467 3.125 20 10 EGCDRO COc1cc(N(C)Cc2cc3c(s2)CC[NH2+]C3)cc(OC)c1OC ZINC000873209593 1297354092 /nfs/dbraw/zinc/35/40/92/1297354092.db2.gz PSXAVMBIOBZRHV-UHFFFAOYSA-N 1 0 348.468 3.056 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000382446396 1297558003 /nfs/dbraw/zinc/55/80/03/1297558003.db2.gz BASIOWNRINHSDK-NVXWUHKLSA-N 1 0 346.471 3.405 20 10 EGCDRO [O-]c1c(Br)cccc1C[NH2+]Cc1cccc2c1OCC2 ZINC000692930546 1298147379 /nfs/dbraw/zinc/14/73/79/1298147379.db2.gz MTMXEOQMBFMAFB-UHFFFAOYSA-N 1 0 334.213 3.379 20 10 EGCDRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000875005893 1298198341 /nfs/dbraw/zinc/19/83/41/1298198341.db2.gz YGIAYJSKGKSGEZ-NVXWUHKLSA-N 1 0 339.439 3.027 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CSCCS1 ZINC000706843323 1298224098 /nfs/dbraw/zinc/22/40/98/1298224098.db2.gz RCIIJKYXNJCKGI-VIFPVBQESA-N 1 0 334.304 3.093 20 10 EGCDRO C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708087927 1298235012 /nfs/dbraw/zinc/23/50/12/1298235012.db2.gz FJATXNRAVPKHFL-JTQLQIEISA-N 1 0 347.684 3.240 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C12CCC2 ZINC000713471346 1298271351 /nfs/dbraw/zinc/27/13/51/1298271351.db2.gz TXKJMYGQFOGALO-ZIAGYGMSSA-N 1 0 326.234 3.202 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CCc2ccco2)c1O ZINC000725841388 1298371825 /nfs/dbraw/zinc/37/18/25/1298371825.db2.gz DHPBAPCRUFTEIK-UHFFFAOYSA-N 1 0 326.190 3.089 20 10 EGCDRO O=C(NC1CC1)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000725847968 1298375202 /nfs/dbraw/zinc/37/52/02/1298375202.db2.gz KSPQEEDWPMBNTF-UHFFFAOYSA-N 1 0 330.815 3.228 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC(=O)Nc2cccc3cccnc32)cc1 ZINC000725851049 1298376265 /nfs/dbraw/zinc/37/62/65/1298376265.db2.gz MKHUPTUMUJPSNE-UHFFFAOYSA-N 1 0 334.423 3.029 20 10 EGCDRO Cc1cc(C(=O)N(C)CC[NH+](C)C)c(C)n1-c1cccc(Cl)c1 ZINC000747173772 1298739341 /nfs/dbraw/zinc/73/93/41/1298739341.db2.gz TYSWDQVROAKVTB-UHFFFAOYSA-N 1 0 333.863 3.381 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C/C=C/Cc2ccccc2)cc1 ZINC000876505683 1298796301 /nfs/dbraw/zinc/79/63/01/1298796301.db2.gz AKJHTBVCBVEQNY-ROUKRRSUSA-N 1 0 337.467 3.058 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1ccc(Cl)nn1)C[C@@H]1CCCO1 ZINC000876531481 1298807631 /nfs/dbraw/zinc/80/76/31/1298807631.db2.gz HDNBUSQSCWQXHV-HNNXBMFYSA-N 1 0 333.819 3.017 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1ccc(Cl)nn1)C[C@H]1CCCO1 ZINC000876531482 1298808847 /nfs/dbraw/zinc/80/88/47/1298808847.db2.gz HDNBUSQSCWQXHV-OAHLLOKOSA-N 1 0 333.819 3.017 20 10 EGCDRO CSc1ccccc1NC(=O)C[N@H+](C)Cc1c(C)cccc1O ZINC000876537612 1298812350 /nfs/dbraw/zinc/81/23/50/1298812350.db2.gz VXXYXAMFFYWEGP-UHFFFAOYSA-N 1 0 330.453 3.493 20 10 EGCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccn1 ZINC000876726245 1298942678 /nfs/dbraw/zinc/94/26/78/1298942678.db2.gz XCAFSMQNNXIGJW-UHFFFAOYSA-N 1 0 325.456 3.065 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000748527472 1299030838 /nfs/dbraw/zinc/03/08/38/1299030838.db2.gz QXPSEIARIRCAON-SFHVURJKSA-N 1 0 343.515 3.366 20 10 EGCDRO O=C1C[C@H](c2ccccc2)[N@H+](Cc2c(O)ccc3ccncc32)CCN1 ZINC000748790207 1299079721 /nfs/dbraw/zinc/07/97/21/1299079721.db2.gz OEJBZPQSRYWGQJ-LJQANCHMSA-N 1 0 347.418 3.004 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)sn1 ZINC000876946027 1299082049 /nfs/dbraw/zinc/08/20/49/1299082049.db2.gz MSKGNYCGXWMKCN-OKILXGFUSA-N 1 0 349.475 3.494 20 10 EGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)OC ZINC000876966580 1299091814 /nfs/dbraw/zinc/09/18/14/1299091814.db2.gz WRYWXSFZLNOXBT-OXQOHEQNSA-N 1 0 334.504 3.046 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c(O)c1 ZINC000876992079 1299103648 /nfs/dbraw/zinc/10/36/48/1299103648.db2.gz YWHLYNGWRHQXGZ-INIZCTEOSA-N 1 0 341.329 3.422 20 10 EGCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877420814 1299288352 /nfs/dbraw/zinc/28/83/52/1299288352.db2.gz FTDPPVKRHDNIKR-NHCUHLMSSA-N 1 0 346.515 3.331 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]CCCCn1cc(Br)cn1 ZINC000877485821 1299336803 /nfs/dbraw/zinc/33/68/03/1299336803.db2.gz APVVNSQOVJMZFH-UHFFFAOYSA-N 1 0 338.249 3.230 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c(O)c1 ZINC000877490926 1299342090 /nfs/dbraw/zinc/34/20/90/1299342090.db2.gz BIKIHZAYNNUJCK-CQSZACIVSA-N 1 0 341.329 3.422 20 10 EGCDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877518851 1299361319 /nfs/dbraw/zinc/36/13/19/1299361319.db2.gz WBAUPWCGXMIPMM-YLJYHZDGSA-N 1 0 346.515 3.163 20 10 EGCDRO CSC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877547869 1299390566 /nfs/dbraw/zinc/39/05/66/1299390566.db2.gz MZHFDVHNWPUWSU-KRWDZBQOSA-N 1 0 334.529 3.223 20 10 EGCDRO COc1cc(Br)cc(C[NH+]2CCC(SC)CC2)c1O ZINC000877663046 1299462923 /nfs/dbraw/zinc/46/29/23/1299462923.db2.gz DQSSQYUJFUIOPF-UHFFFAOYSA-N 1 0 346.290 3.491 20 10 EGCDRO CCC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)Cc1ccccc1O ZINC000750875828 1299468177 /nfs/dbraw/zinc/46/81/77/1299468177.db2.gz YWIVDULVFHSHMC-UHFFFAOYSA-N 1 0 337.423 3.121 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC000751529827 1299562796 /nfs/dbraw/zinc/56/27/96/1299562796.db2.gz GSSYNEYHTOGBSN-KRWDZBQOSA-N 1 0 342.439 3.219 20 10 EGCDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000754130830 1300094295 /nfs/dbraw/zinc/09/42/95/1300094295.db2.gz RXTHCWIPBDICBW-GXTWGEPZSA-N 1 0 328.378 3.288 20 10 EGCDRO COc1cc(C)cc(CN2CC[NH+](CCc3cccs3)CC2)c1O ZINC000754723406 1300201074 /nfs/dbraw/zinc/20/10/74/1300201074.db2.gz RUJNTNMJODGZBR-UHFFFAOYSA-N 1 0 346.496 3.131 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000756035034 1300429963 /nfs/dbraw/zinc/42/99/63/1300429963.db2.gz SACRZRICNJFMID-JCQPUDPBSA-N 1 0 333.453 3.379 20 10 EGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1C[C@@H](C)c3c1c(O)ccc3F)C2 ZINC000756396985 1300482660 /nfs/dbraw/zinc/48/26/60/1300482660.db2.gz RDCYUGXDPFFIKQ-HICWGWBUSA-N 1 0 327.403 3.325 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756432667 1300490217 /nfs/dbraw/zinc/49/02/17/1300490217.db2.gz LBVBIDGMJRTHNB-CZUORRHYSA-N 1 0 342.414 3.328 20 10 EGCDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756458925 1300497352 /nfs/dbraw/zinc/49/73/52/1300497352.db2.gz LOCODJKLTLMXSY-GDBMZVCRSA-N 1 0 333.403 3.239 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)NCc1ccccc1 ZINC000756482344 1300503896 /nfs/dbraw/zinc/50/38/96/1300503896.db2.gz JKRXOGRTXXJWKV-DVOMOZLQSA-N 1 0 342.414 3.374 20 10 EGCDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756494302 1300506301 /nfs/dbraw/zinc/50/63/01/1300506301.db2.gz LIEAGYMBSLUYQW-QWRGUYRKSA-N 1 0 336.233 3.227 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(Br)c(F)cc1[O-] ZINC000756503744 1300509310 /nfs/dbraw/zinc/50/93/10/1300509310.db2.gz LZPYYMFPHMQJSD-VHSXEESVSA-N 1 0 333.245 3.285 20 10 EGCDRO COC1CCN(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000756643964 1300539703 /nfs/dbraw/zinc/53/97/03/1300539703.db2.gz WRVDNFXDGYDRIW-HNNXBMFYSA-N 1 0 332.488 3.032 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c2c1c(F)ccc2O ZINC000756655525 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C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000769340957 1303097105 /nfs/dbraw/zinc/09/71/05/1303097105.db2.gz ZFEYIKKONMRIJX-QGZVFWFLSA-N 1 0 347.459 3.444 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)cc1F ZINC000769416318 1303109403 /nfs/dbraw/zinc/10/94/03/1303109403.db2.gz CRHFTMLLKJIIHB-MRXNPFEDSA-N 1 0 334.435 3.206 20 10 EGCDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769455484 1303117042 /nfs/dbraw/zinc/11/70/42/1303117042.db2.gz DDLMGUSUCZRDPI-OAHLLOKOSA-N 1 0 333.432 3.196 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)c1O ZINC000769465378 1303118325 /nfs/dbraw/zinc/11/83/25/1303118325.db2.gz GVTWKAIXXUQWIL-IRXDYDNUSA-N 1 0 340.467 3.496 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCSC[C@H]2CC(=O)OC)cc1 ZINC000769471523 1303119502 /nfs/dbraw/zinc/11/95/02/1303119502.db2.gz VCIOYFLERGQGIJ-QGZVFWFLSA-N 1 0 336.501 3.013 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000769483322 1303122942 /nfs/dbraw/zinc/12/29/42/1303122942.db2.gz HUPDJMZKEOZJSC-FQEVSTJZSA-N 1 0 325.408 3.075 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1F ZINC000770352492 1303253096 /nfs/dbraw/zinc/25/30/96/1303253096.db2.gz ZLSSYGFLJSFRDH-INIZCTEOSA-N 1 0 345.466 3.478 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000770373574 1303256594 /nfs/dbraw/zinc/25/65/94/1303256594.db2.gz HMBCIEXJIJQAHB-VQIMIIECSA-N 1 0 331.479 3.340 20 10 EGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000771628085 1303427047 /nfs/dbraw/zinc/42/70/47/1303427047.db2.gz DRQNWGZBYIDBLU-HNNXBMFYSA-N 1 0 342.439 3.352 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)CC1 ZINC000886325708 1303433840 /nfs/dbraw/zinc/43/38/40/1303433840.db2.gz OXRALSXIXLFICR-QPJJXVBHSA-N 1 0 349.478 3.191 20 10 EGCDRO C[C@H](CC1CCCC1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746989 1303581967 /nfs/dbraw/zinc/58/19/67/1303581967.db2.gz IFKWDUXVDXBFDF-MRXNPFEDSA-N 1 0 343.515 3.447 20 10 EGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749217 1303583722 /nfs/dbraw/zinc/58/37/22/1303583722.db2.gz MHOHXNPZFFGJNY-YLJYHZDGSA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000772964510 1303599355 /nfs/dbraw/zinc/59/93/55/1303599355.db2.gz NMAMMRXLKSRYLB-JKSUJKDBSA-N 1 0 348.487 3.294 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773030925 1303611600 /nfs/dbraw/zinc/61/16/00/1303611600.db2.gz ZSPAFWYMUJFGQB-CHWSQXEVSA-N 1 0 326.893 3.333 20 10 EGCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773291306 1303656168 /nfs/dbraw/zinc/65/61/68/1303656168.db2.gz JCZJRYRJQDAOGB-SJLPKXTDSA-N 1 0 346.519 3.377 20 10 EGCDRO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773371878 1303669682 /nfs/dbraw/zinc/66/96/82/1303669682.db2.gz LERLDAXWLBLVFE-IXDOHACOSA-N 1 0 346.519 3.233 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1F ZINC000773426804 1303679070 /nfs/dbraw/zinc/67/90/70/1303679070.db2.gz HMSWEPOSSSTFKB-MRXNPFEDSA-N 1 0 336.451 3.447 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000773730260 1303730534 /nfs/dbraw/zinc/73/05/34/1303730534.db2.gz NNKFJRIKLZCYNJ-UHFFFAOYSA-N 1 0 329.410 3.213 20 10 EGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753912 1303735182 /nfs/dbraw/zinc/73/51/82/1303735182.db2.gz DTUBLASZXIAXDZ-SFHVURJKSA-N 1 0 331.504 3.271 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000773757961 1303736330 /nfs/dbraw/zinc/73/63/30/1303736330.db2.gz SOQCZXSKXOHEQE-KRWDZBQOSA-N 1 0 339.487 3.060 20 10 EGCDRO Cc1cc(C(=O)NOC2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000774288858 1303795023 /nfs/dbraw/zinc/79/50/23/1303795023.db2.gz BFQMQLLVGIGGRE-UHFFFAOYSA-N 1 0 341.455 3.158 20 10 EGCDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774478499 1303814805 /nfs/dbraw/zinc/81/48/05/1303814805.db2.gz FDTZZJSMPAAQLA-DLBZAZTESA-N 1 0 339.483 3.417 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1cccs1 ZINC000774483239 1303816739 /nfs/dbraw/zinc/81/67/39/1303816739.db2.gz NGFAXWVVJYUAGO-ZIAGYGMSSA-N 1 0 331.485 3.170 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000774633831 1303837846 /nfs/dbraw/zinc/83/78/46/1303837846.db2.gz ZLKCXESAPSMJFV-UHFFFAOYSA-N 1 0 340.471 3.316 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000774821008 1303864063 /nfs/dbraw/zinc/86/40/63/1303864063.db2.gz SAQMGDIQDFWIEN-UHFFFAOYSA-N 1 0 346.383 3.340 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000774843571 1303866404 /nfs/dbraw/zinc/86/64/04/1303866404.db2.gz SWAGQUIVNSKXLK-LJQANCHMSA-N 1 0 325.456 3.110 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000775158759 1303917696 /nfs/dbraw/zinc/91/76/96/1303917696.db2.gz VOFOXKOZJDNZGJ-RISCZKNCSA-N 1 0 340.851 3.391 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C(C)C)C2CCCC2)c1 ZINC000775362768 1303947302 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Cc1cccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000775740214 1304025539 /nfs/dbraw/zinc/02/55/39/1304025539.db2.gz SWPFMEPDMBUZJP-CABCVRRESA-N 1 0 334.460 3.436 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775833442 1304046594 /nfs/dbraw/zinc/04/65/94/1304046594.db2.gz IXWRGMQPWJKNIL-YOEHRIQHSA-N 1 0 348.874 3.497 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000775994084 1304076174 /nfs/dbraw/zinc/07/61/74/1304076174.db2.gz GHAGKBLZONJRMT-UHFFFAOYSA-N 1 0 346.862 3.353 20 10 EGCDRO O=C(NCC[NH2+]Cc1c(O)cccc1Cl)c1ccc(Cl)cc1 ZINC000776081386 1304092030 /nfs/dbraw/zinc/09/20/30/1304092030.db2.gz PDBSHEOUUDXFAG-UHFFFAOYSA-N 1 0 339.222 3.219 20 10 EGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776174367 1304107653 /nfs/dbraw/zinc/10/76/53/1304107653.db2.gz MWMSBKDDTKOJHA-ABAIWWIYSA-N 1 0 330.266 3.350 20 10 EGCDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000776950303 1304222321 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CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000780580919 1304712077 /nfs/dbraw/zinc/71/20/77/1304712077.db2.gz RAKAHPXZLREBRY-CZUORRHYSA-N 1 0 347.377 3.364 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2CCC[C@H](C)C2)cc1 ZINC000781617848 1304849569 /nfs/dbraw/zinc/84/95/69/1304849569.db2.gz WYIFUCMSOTZWOI-KRWDZBQOSA-N 1 0 331.504 3.223 20 10 EGCDRO CCCc1[nH]ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250716 1305000862 /nfs/dbraw/zinc/00/08/62/1305000862.db2.gz ZHMHIRKBDGOGLF-IBGZPJMESA-N 1 0 342.487 3.066 20 10 EGCDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)/C=C\c1cnn(C)c1 ZINC000891569979 1305093722 /nfs/dbraw/zinc/09/37/22/1305093722.db2.gz VMSUNLVIBJIERS-MQNTZWLQSA-N 1 0 340.471 3.033 20 10 EGCDRO COc1cccc(C[C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC000783500353 1305099921 /nfs/dbraw/zinc/09/99/21/1305099921.db2.gz VHEUERSTQPARBM-INIZCTEOSA-N 1 0 325.456 3.411 20 10 EGCDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000783594539 1305113362 /nfs/dbraw/zinc/11/33/62/1305113362.db2.gz VBBPCGRDXRSVLU-UHFFFAOYSA-N 1 0 348.487 3.261 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Br)ccc1O ZINC000783648056 1305123225 /nfs/dbraw/zinc/12/32/25/1305123225.db2.gz YADOZJAJYWIXPX-RNCFNFMXSA-N 1 0 326.190 3.132 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)cc(OC)c1 ZINC000891671077 1305130139 /nfs/dbraw/zinc/13/01/39/1305130139.db2.gz LXBZKZKOANMDSS-UHFFFAOYSA-N 1 0 347.411 3.059 20 10 EGCDRO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC000784352803 1305233594 /nfs/dbraw/zinc/23/35/94/1305233594.db2.gz QBCHTVRWGXUSIQ-INIZCTEOSA-N 1 0 331.504 3.079 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c(O)c1OC ZINC000892051915 1305238318 /nfs/dbraw/zinc/23/83/18/1305238318.db2.gz BOHWRTDGFSOSOX-INIZCTEOSA-N 1 0 328.412 3.450 20 10 EGCDRO c1cc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2cn1 ZINC000785435498 1305351286 /nfs/dbraw/zinc/35/12/86/1305351286.db2.gz JVMXJXGFCJPZAB-UHFFFAOYSA-N 1 0 333.435 3.361 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785987224 1305487016 /nfs/dbraw/zinc/48/70/16/1305487016.db2.gz GQBVUPCUTZXUSC-NVBFEUDRSA-N 1 0 342.277 3.444 20 10 EGCDRO Cc1cc(F)ncc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892732412 1305527476 /nfs/dbraw/zinc/52/74/76/1305527476.db2.gz ZTMZROAYKYNESY-HNNXBMFYSA-N 1 0 329.419 3.217 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000786763952 1305626749 /nfs/dbraw/zinc/62/67/49/1305626749.db2.gz BJWBSSGKULOLQR-IBGZPJMESA-N 1 0 329.488 3.118 20 10 EGCDRO CCC[N@H+](Cc1cc(Br)nn1C)Cc1ccccc1O ZINC000787138060 1305696014 /nfs/dbraw/zinc/69/60/14/1305696014.db2.gz OQUHSMPMSAAKFY-UHFFFAOYSA-N 1 0 338.249 3.300 20 10 EGCDRO COc1ccc(C[NH2+]CC2(C)Cc3ccccc3C2)c(O)c1OC ZINC000893228418 1305772975 /nfs/dbraw/zinc/77/29/75/1305772975.db2.gz ARBZOLREDSQIIX-UHFFFAOYSA-N 1 0 327.424 3.304 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)c(O)c1OC ZINC000893267485 1305793778 /nfs/dbraw/zinc/79/37/78/1305793778.db2.gz LQLZZMVHQJNWDW-WBMJQRKESA-N 1 0 349.402 3.150 20 10 EGCDRO COc1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)c(O)c1OC ZINC000893431599 1305892015 /nfs/dbraw/zinc/89/20/15/1305892015.db2.gz NJLDTHSBGRFOHT-UHFFFAOYSA-N 1 0 342.439 3.259 20 10 EGCDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000788544488 1305966754 /nfs/dbraw/zinc/96/67/54/1305966754.db2.gz DREDIDKQTJBPBS-KKUMJFAQSA-N 1 0 338.467 3.342 20 10 EGCDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000788564148 1305972685 /nfs/dbraw/zinc/97/26/85/1305972685.db2.gz PXBFYJYPDYRAIJ-JKSUJKDBSA-N 1 0 341.455 3.339 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1O ZINC000893962621 1306149903 /nfs/dbraw/zinc/14/99/03/1306149903.db2.gz PBTFRMNKRXIMFM-CYBMUJFWSA-N 1 0 333.350 3.253 20 10 EGCDRO C/C=C(\CC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000789816361 1306219353 /nfs/dbraw/zinc/21/93/53/1306219353.db2.gz LPVDEZWAGUSCQN-JUNHHFQASA-N 1 0 336.863 3.483 20 10 EGCDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC000789974920 1306239547 /nfs/dbraw/zinc/23/95/47/1306239547.db2.gz KSMWQXQEXDDCAP-GFCCVEGCSA-N 1 0 346.402 3.096 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1O ZINC000894159125 1306252435 /nfs/dbraw/zinc/25/24/35/1306252435.db2.gz YMITYEOTADEXCY-UHFFFAOYSA-N 1 0 340.423 3.126 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1O ZINC000894172668 1306260147 /nfs/dbraw/zinc/26/01/47/1306260147.db2.gz JEHQRPHRNYCULA-INIZCTEOSA-N 1 0 326.440 3.325 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000894225785 1306287470 /nfs/dbraw/zinc/28/74/70/1306287470.db2.gz LZAIKMSBOPFFAD-CYBMUJFWSA-N 1 0 340.423 3.079 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)c1O ZINC000894341175 1306349924 /nfs/dbraw/zinc/34/99/24/1306349924.db2.gz WYASKUSLDZAJDE-DOTOQJQBSA-N 1 0 329.440 3.354 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)c1O ZINC000894370891 1306363049 /nfs/dbraw/zinc/36/30/49/1306363049.db2.gz QVSNFAJIGQGFRJ-GUYCJALGSA-N 1 0 333.403 3.450 20 10 EGCDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000790934271 1308888565 /nfs/dbraw/zinc/88/85/65/1308888565.db2.gz JFMBUTWNENMUGI-SMDDNHRTSA-N 1 0 328.250 3.280 20 10 EGCDRO CC[C@]1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1 ZINC000791003820 1308908195 /nfs/dbraw/zinc/90/81/95/1308908195.db2.gz IUQPHLTZGFBTJA-SFHVURJKSA-N 1 0 333.432 3.244 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c1O ZINC000894550821 1308950245 /nfs/dbraw/zinc/95/02/45/1308950245.db2.gz NMFFOTTVYRJPII-IERDGZPVSA-N 1 0 343.467 3.429 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000894782355 1309068860 /nfs/dbraw/zinc/06/88/60/1309068860.db2.gz XXWVHLYGOMCACE-KRWDZBQOSA-N 1 0 332.419 3.241 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1O ZINC000894859970 1309104566 /nfs/dbraw/zinc/10/45/66/1309104566.db2.gz QKAZVRIGFLSUAW-UHFFFAOYSA-N 1 0 340.345 3.455 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000894907584 1309123883 /nfs/dbraw/zinc/12/38/83/1309123883.db2.gz VBSHUDGDKHRQSW-SJORKVTESA-N 1 0 328.412 3.114 20 10 EGCDRO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)[nH]1 ZINC000895008254 1309153445 /nfs/dbraw/zinc/15/34/45/1309153445.db2.gz QEIZCUOKMJQKHX-QGZVFWFLSA-N 1 0 325.460 3.093 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c(C(F)(F)F)c1 ZINC000792813696 1309235770 /nfs/dbraw/zinc/23/57/70/1309235770.db2.gz VHBCLQGVLQSJER-CYBMUJFWSA-N 1 0 330.394 3.366 20 10 EGCDRO C[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000792950848 1309268267 /nfs/dbraw/zinc/26/82/67/1309268267.db2.gz MCDVOGMXTLASPH-CXAGYDPISA-N 1 0 340.414 3.271 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1 ZINC000792967896 1309272303 /nfs/dbraw/zinc/27/23/03/1309272303.db2.gz DEGHZFRCCDOLDP-ZDUSSCGKSA-N 1 0 327.394 3.098 20 10 EGCDRO COc1cccc([C@H](C[NH2+]Cc2cc(C)cc(OC)c2O)OC)c1 ZINC000895388758 1309311880 /nfs/dbraw/zinc/31/18/80/1309311880.db2.gz LJTFAADIPVYLQO-SFHVURJKSA-N 1 0 331.412 3.195 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c1O ZINC000895446792 1309340590 /nfs/dbraw/zinc/34/05/90/1309340590.db2.gz FEFKXRDOXMABIT-LLVKDONJSA-N 1 0 328.368 3.407 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)c(O)c1 ZINC000793390898 1309361757 /nfs/dbraw/zinc/36/17/57/1309361757.db2.gz UKSINDBSTDCXGI-UHFFFAOYSA-N 1 0 327.359 3.015 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2ccc(OC)cc2O)ccc1OC ZINC000793387298 1309362161 /nfs/dbraw/zinc/36/21/61/1309362161.db2.gz CGNABGYYOFOKNG-UHFFFAOYSA-N 1 0 331.412 3.236 20 10 EGCDRO Cc1c[nH+]ccc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000795100527 1309668920 /nfs/dbraw/zinc/66/89/20/1309668920.db2.gz DOIMACIXRKQKKF-CQSZACIVSA-N 1 0 333.382 3.494 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000896512904 1309894898 /nfs/dbraw/zinc/89/48/98/1309894898.db2.gz WPJCONNJELAAFQ-LLVKDONJSA-N 1 0 332.356 3.168 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796303110 1309961450 /nfs/dbraw/zinc/96/14/50/1309961450.db2.gz GNSRVXPYRGLOGK-QFIPXVFZSA-N 1 0 336.479 3.500 20 10 EGCDRO CCN1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000796320447 1309965876 /nfs/dbraw/zinc/96/58/76/1309965876.db2.gz AQQRQBXPOFKINB-KRWDZBQOSA-N 1 0 339.483 3.303 20 10 EGCDRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000896984828 1310119980 /nfs/dbraw/zinc/11/99/80/1310119980.db2.gz NKBSEUAYPANYCJ-CYBMUJFWSA-N 1 0 338.423 3.268 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)c2c1c(F)ccc2O ZINC000797102506 1310141021 /nfs/dbraw/zinc/14/10/21/1310141021.db2.gz PGCZTQITTVGSFK-AAEUAGOBSA-N 1 0 341.448 3.027 20 10 EGCDRO CC(C)OC[C@@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000800239000 1310709100 /nfs/dbraw/zinc/70/91/00/1310709100.db2.gz CKUKJWQAVMMNMN-PBHICJAKSA-N 1 0 340.895 3.413 20 10 EGCDRO COCc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000898449932 1310741857 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COc1cc(O)c(C[NH+]2CC(Cc3ccccc3C)C2)cc1OC ZINC000839131796 1320876487 /nfs/dbraw/zinc/87/64/87/1320876487.db2.gz OTGHSCSOUJGBFZ-UHFFFAOYSA-N 1 0 327.424 3.392 20 10 EGCDRO COc1ccc(O)c(CNc2ccc(OCC[NH+](C)C)c(C)c2)c1 ZINC000839184321 1320889119 /nfs/dbraw/zinc/88/91/19/1320889119.db2.gz IVMGQAFLJOBLPD-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO COc1c(O)c(CNc2ccc(C[NH+](C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000839188186 1320889960 /nfs/dbraw/zinc/88/99/60/1320889960.db2.gz COKOJDKIACBJIO-UHFFFAOYSA-N 1 0 345.399 3.291 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NCC2CCCCC2)c1 ZINC000839539745 1320935056 /nfs/dbraw/zinc/93/50/56/1320935056.db2.gz NWCWWNBZGMCKFU-CQSZACIVSA-N 1 0 334.460 3.138 20 10 EGCDRO Cn1cncc1CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000857783208 1328597042 /nfs/dbraw/zinc/59/70/42/1328597042.db2.gz YYSJKIDMESUFEZ-UHFFFAOYSA-N 1 0 346.478 3.315 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)cc1C ZINC001019496458 1317278054 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COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938759 1319466616 /nfs/dbraw/zinc/46/66/16/1319466616.db2.gz RPDBQDFNZXIEQK-OALUTQOASA-N 1 0 325.456 3.038 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000817941015 1319470668 /nfs/dbraw/zinc/47/06/68/1319470668.db2.gz IGTIIVFBSAJPAQ-SLYNCCJLSA-N 1 0 338.499 3.463 20 10 EGCDRO CC[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(N(C)C)cc1 ZINC000817950608 1319475344 /nfs/dbraw/zinc/47/53/44/1319475344.db2.gz YSMXERMBUVOQQZ-IBGZPJMESA-N 1 0 339.487 3.120 20 10 EGCDRO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817954766 1319477028 /nfs/dbraw/zinc/47/70/28/1319477028.db2.gz IWVNDJMYEKIELK-ZJUUUORDSA-N 1 0 347.684 3.458 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c(C)n1-c1cccc(C)c1 ZINC000818005515 1319489003 /nfs/dbraw/zinc/48/90/03/1319489003.db2.gz PLJFLTZHXJGKCC-IBGZPJMESA-N 1 0 325.456 3.212 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cncc(F)c3)C2)cc1 ZINC000818220681 1319521700 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CN1CCCc2cc(C[NH2+]C[C@H](O)c3c(F)cccc3F)ccc21 ZINC000818985735 1319605121 /nfs/dbraw/zinc/60/51/21/1319605121.db2.gz ZEKDATWESYYWSO-SFHVURJKSA-N 1 0 332.394 3.170 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)Cc1cccc(Cl)c1 ZINC000819096142 1319633603 /nfs/dbraw/zinc/63/36/03/1319633603.db2.gz XCWGTZNZMVFEAR-HXUWFJFHSA-N 1 0 342.870 3.409 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CC3(C)C)C2)cc1C ZINC000961728270 1319715429 /nfs/dbraw/zinc/71/54/29/1319715429.db2.gz PJUDWNXFOQIGKG-OFLPRAFFSA-N 1 0 330.472 3.034 20 10 EGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000917014317 1319739323 /nfs/dbraw/zinc/73/93/23/1319739323.db2.gz RYUQZDVGQAXBMJ-IBGZPJMESA-N 1 0 346.471 3.134 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(O)c(C(C)(C)C)c1 ZINC000819897507 1319795729 /nfs/dbraw/zinc/79/57/29/1319795729.db2.gz QOYBOTKAIJQZDS-MRXNPFEDSA-N 1 0 328.460 3.427 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(OC)ccc3O)C2)cc1 ZINC000822494401 1320088422 /nfs/dbraw/zinc/08/84/22/1320088422.db2.gz NRUAETXPBJWZED-OAHLLOKOSA-N 1 0 342.439 3.026 20 10 EGCDRO CCOC(=O)CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1O ZINC000822511960 1320091814 /nfs/dbraw/zinc/09/18/14/1320091814.db2.gz PIGKMSZUPQKPGI-UHFFFAOYSA-N 1 0 342.439 3.024 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000824237664 1320240699 /nfs/dbraw/zinc/24/06/99/1320240699.db2.gz VAPNAYHKDIOMLX-QFBILLFUSA-N 1 0 328.481 3.199 20 10 EGCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000824708006 1320279335 /nfs/dbraw/zinc/27/93/35/1320279335.db2.gz CGICYFZLXWVXDP-PXNSSMCTSA-N 1 0 327.424 3.200 20 10 EGCDRO CC(C)n1cc(C2=CCC[N@H+](Cc3cc(F)ccc3O)CC2)nn1 ZINC000824739014 1320281733 /nfs/dbraw/zinc/28/17/33/1320281733.db2.gz VBHYDMDVQSJCNB-UHFFFAOYSA-N 1 0 330.407 3.383 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c1O ZINC000824737487 1320281961 /nfs/dbraw/zinc/28/19/61/1320281961.db2.gz AVQZXTVHDLZGPF-UHFFFAOYSA-N 1 0 342.443 3.253 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(=O)OCC)ccc1OC ZINC000824861469 1320292473 /nfs/dbraw/zinc/29/24/73/1320292473.db2.gz LYZLUNQNYZQIFL-ZWKOTPCHSA-N 1 0 349.471 3.443 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1O ZINC000824861128 1320292531 /nfs/dbraw/zinc/29/25/31/1320292531.db2.gz IHSIQZXIDOMBTF-HNNXBMFYSA-N 1 0 341.329 3.422 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1O ZINC000825103013 1320310917 /nfs/dbraw/zinc/31/09/17/1320310917.db2.gz AVOSCTVNPVKTGZ-LSDHHAIUSA-N 1 0 325.836 3.444 20 10 EGCDRO COc1cccnc1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000825249467 1320321336 /nfs/dbraw/zinc/32/13/36/1320321336.db2.gz IJNJDKOQHVFQIN-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000825283894 1320323553 /nfs/dbraw/zinc/32/35/53/1320323553.db2.gz UAQFVGHJDWSMGI-OAHLLOKOSA-N 1 0 345.439 3.147 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1ccsc1 ZINC000825291307 1320324127 /nfs/dbraw/zinc/32/41/27/1320324127.db2.gz JEJYYJWYNRYGKD-CQSZACIVSA-N 1 0 342.258 3.214 20 10 EGCDRO Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825297726 1320325175 /nfs/dbraw/zinc/32/51/75/1320325175.db2.gz LSWZRRWJVYKEFY-SECBINFHSA-N 1 0 339.233 3.480 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000825311624 1320326942 /nfs/dbraw/zinc/32/69/42/1320326942.db2.gz LSVXYCJDNJJQQE-QGZVFWFLSA-N 1 0 333.453 3.456 20 10 EGCDRO CC(C)C[C@H](CCO)C[NH2+]Cc1ccc(Br)cc1O ZINC000825320545 1320327312 /nfs/dbraw/zinc/32/73/12/1320327312.db2.gz LGMMTNXYGKGDHC-LBPRGKRZSA-N 1 0 330.266 3.289 20 10 EGCDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc(Br)cc1O ZINC000825320544 1320327639 /nfs/dbraw/zinc/32/76/39/1320327639.db2.gz LGMMTNXYGKGDHC-GFCCVEGCSA-N 1 0 330.266 3.289 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)[C@]12CCCO2 ZINC000825513840 1320343643 /nfs/dbraw/zinc/34/36/43/1320343643.db2.gz KEWDLVQTYOMJBH-GVDBMIGSSA-N 1 0 325.836 3.170 20 10 EGCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825641526 1320352008 /nfs/dbraw/zinc/35/20/08/1320352008.db2.gz SRCYPRBHUIBGKC-UHIISALHSA-N 1 0 328.250 3.136 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000825887589 1320368922 /nfs/dbraw/zinc/36/89/22/1320368922.db2.gz VKWPQUUMMSDMHU-NWDGAFQWSA-N 1 0 337.769 3.347 20 10 EGCDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2ccc3ccccc3c2O)CC1=O ZINC000827554339 1320459965 /nfs/dbraw/zinc/45/99/65/1320459965.db2.gz CSCJOFPGUHXHFN-AWEZNQCLSA-N 1 0 326.440 3.282 20 10 EGCDRO CSC1(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCC1 ZINC000839146207 1320880823 /nfs/dbraw/zinc/88/08/23/1320880823.db2.gz ZEFLXYIQTBJLEN-UHFFFAOYSA-N 1 0 342.455 3.177 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000839539394 1320934706 /nfs/dbraw/zinc/93/47/06/1320934706.db2.gz MLMZZUXVFVOEHW-MPGHIAIKSA-N 1 0 346.471 3.233 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2)c1 ZINC000839540054 1320934816 /nfs/dbraw/zinc/93/48/16/1320934816.db2.gz QQIGDVZMPWAZKG-GFCCVEGCSA-N 1 0 332.375 3.219 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000840808763 1321153703 /nfs/dbraw/zinc/15/37/03/1321153703.db2.gz LPLHMQLAYAKPMC-RVSPLBMKSA-N 1 0 345.414 3.454 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000840811637 1321154313 /nfs/dbraw/zinc/15/43/13/1321154313.db2.gz HGHMXMYIXCADNO-YJBOKZPZSA-N 1 0 328.456 3.188 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000840872662 1321166517 /nfs/dbraw/zinc/16/65/17/1321166517.db2.gz MDCPQDNTTSBCCM-JYYAWHABSA-N 1 0 336.451 3.126 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000840893541 1321171868 /nfs/dbraw/zinc/17/18/68/1321171868.db2.gz KVVYLFZLJXEMNQ-KXBFYZLASA-N 1 0 326.488 3.393 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000840892535 1321172057 /nfs/dbraw/zinc/17/20/57/1321172057.db2.gz ALXOTIYMZYWPMF-DNVCBOLYSA-N 1 0 326.488 3.393 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000840916004 1321176358 /nfs/dbraw/zinc/17/63/58/1321176358.db2.gz VLWHHNDIKIFBPJ-GOSISDBHSA-N 1 0 338.499 3.335 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNc1ccccc1N1CC[NH+](C)CC1 ZINC000840924947 1321179058 /nfs/dbraw/zinc/17/90/58/1321179058.db2.gz CBUWUKYVAQOKSC-UHFFFAOYSA-N 1 0 338.499 3.425 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000840931994 1321179469 /nfs/dbraw/zinc/17/94/69/1321179469.db2.gz BBYWVPJUJUOQIZ-UHFFFAOYSA-N 1 0 337.467 3.130 20 10 EGCDRO CCOc1ccc(NC(=O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840937990 1321181205 /nfs/dbraw/zinc/18/12/05/1321181205.db2.gz YRILLJCDCJSHMA-UHFFFAOYSA-N 1 0 341.455 3.188 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840956297 1321185259 /nfs/dbraw/zinc/18/52/59/1321185259.db2.gz LRWARCMXDUSZSI-JKSUJKDBSA-N 1 0 348.240 3.463 20 10 EGCDRO COCC[C@@H](C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840954298 1321185272 /nfs/dbraw/zinc/18/52/72/1321185272.db2.gz BSDWUCNWMZOINF-OAHLLOKOSA-N 1 0 335.448 3.347 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H](O)C(C)C ZINC000840968316 1321189764 /nfs/dbraw/zinc/18/97/64/1321189764.db2.gz WWUQTTOEWVTWLK-TZMCWYRMSA-N 1 0 346.265 3.048 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000840975177 1321192171 /nfs/dbraw/zinc/19/21/71/1321192171.db2.gz DLIFMHZPODTDFL-OAHLLOKOSA-N 1 0 329.492 3.128 20 10 EGCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000840976429 1321192463 /nfs/dbraw/zinc/19/24/63/1321192463.db2.gz WCMRODGKURJZIW-YJBOKZPZSA-N 1 0 349.515 3.162 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1O ZINC000840978986 1321193658 /nfs/dbraw/zinc/19/36/58/1321193658.db2.gz QTCCCVLOASRXIO-RYUDHWBXSA-N 1 0 328.250 3.056 20 10 EGCDRO CC(C)Oc1cccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841044840 1321208766 /nfs/dbraw/zinc/20/87/66/1321208766.db2.gz YYNAZCTXTMCZNM-FQEVSTJZSA-N 1 0 327.472 3.329 20 10 EGCDRO C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000841099577 1321218396 /nfs/dbraw/zinc/21/83/96/1321218396.db2.gz MGGDBOXJGAVCDI-WBVHZDCISA-N 1 0 346.475 3.002 20 10 EGCDRO Nc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000841299864 1321249267 /nfs/dbraw/zinc/24/92/67/1321249267.db2.gz JBOJWAHBWXVVPM-INIZCTEOSA-N 1 0 330.476 3.389 20 10 EGCDRO Nc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000841300526 1321249880 /nfs/dbraw/zinc/24/98/80/1321249880.db2.gz REEZBXNVGFLQTG-GOSISDBHSA-N 1 0 330.476 3.435 20 10 EGCDRO CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000841310251 1321252649 /nfs/dbraw/zinc/25/26/49/1321252649.db2.gz KEUYMGVXERTLDL-UHFFFAOYSA-N 1 0 344.434 3.323 20 10 EGCDRO C[NH2+]Cc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000841313051 1321253658 /nfs/dbraw/zinc/25/36/58/1321253658.db2.gz LKDFNIOBYKEGDF-UHFFFAOYSA-N 1 0 336.439 3.104 20 10 EGCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841746113 1321305676 /nfs/dbraw/zinc/30/56/76/1321305676.db2.gz CIYIXHFQYQYJNP-LBPRGKRZSA-N 1 0 348.830 3.021 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Cl)cc1O ZINC000841760557 1321308242 /nfs/dbraw/zinc/30/82/42/1321308242.db2.gz SNCZXHYVJNSDMU-DOMZBBRYSA-N 1 0 336.863 3.487 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(Br)cc1O ZINC000841764782 1321309128 /nfs/dbraw/zinc/30/91/28/1321309128.db2.gz ILKAOWQKHIHWJP-ONGXEEELSA-N 1 0 349.219 3.145 20 10 EGCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841806110 1321316088 /nfs/dbraw/zinc/31/60/88/1321316088.db2.gz UWXYJUDXQKAWHB-INIZCTEOSA-N 1 0 346.519 3.011 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1O ZINC000841888044 1321326428 /nfs/dbraw/zinc/32/64/28/1321326428.db2.gz CUHZZAQWTBGSPE-CQSZACIVSA-N 1 0 349.814 3.374 20 10 EGCDRO COc1cc(Cl)cc(CN(C)C(C)(C)C[NH+]2CCCC2)c1O ZINC000841894544 1321328413 /nfs/dbraw/zinc/32/84/13/1321328413.db2.gz YOJMFWMIPMTNLS-UHFFFAOYSA-N 1 0 326.868 3.360 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000841939136 1321331090 /nfs/dbraw/zinc/33/10/90/1321331090.db2.gz DRGSQIXLDSXPMK-LJQANCHMSA-N 1 0 346.519 3.192 20 10 EGCDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000841936225 1321331115 /nfs/dbraw/zinc/33/11/15/1321331115.db2.gz LIEOLRHUHVUMMJ-GOSISDBHSA-N 1 0 341.455 3.357 20 10 EGCDRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841956532 1321331906 /nfs/dbraw/zinc/33/19/06/1321331906.db2.gz GOXIQCZTZPSSJU-UHFFFAOYSA-N 1 0 346.519 3.109 20 10 EGCDRO CCCC[C@H](C[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841957356 1321332278 /nfs/dbraw/zinc/33/22/78/1321332278.db2.gz ILUNMXKPSRJYPX-MRXNPFEDSA-N 1 0 345.443 3.215 20 10 EGCDRO C[NH2+]CCN(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000842473746 1321393455 /nfs/dbraw/zinc/39/34/55/1321393455.db2.gz BMHULVRNOBMSFX-UHFFFAOYSA-N 1 0 325.416 3.192 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 ZINC000842634683 1321410373 /nfs/dbraw/zinc/41/03/73/1321410373.db2.gz IAAYHLJUIUSMDI-GOSISDBHSA-N 1 0 338.451 3.147 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)NCc1cccs1 ZINC000842750514 1321427348 /nfs/dbraw/zinc/42/73/48/1321427348.db2.gz ROFIRIUXZREBKM-INIZCTEOSA-N 1 0 332.469 3.250 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000843051280 1321462159 /nfs/dbraw/zinc/46/21/59/1321462159.db2.gz GTJBZFUTAPTQJA-SMDDNHRTSA-N 1 0 327.266 3.022 20 10 EGCDRO CN1c2ccc(CN3CCCc4cc(C[NH3+])ccc43)cc2CCC1=O ZINC000843058162 1321464072 /nfs/dbraw/zinc/46/40/72/1321464072.db2.gz MTRDFFKQSNIXQR-UHFFFAOYSA-N 1 0 335.451 3.007 20 10 EGCDRO COCCOc1ccccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058190 1321464234 /nfs/dbraw/zinc/46/42/34/1321464234.db2.gz OEYCDRCFHICHDB-UHFFFAOYSA-N 1 0 326.440 3.123 20 10 EGCDRO Nc1ccc(Cc2noc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000843162307 1321481091 /nfs/dbraw/zinc/48/10/91/1321481091.db2.gz VYRZQUCUNLLRTP-QGZVFWFLSA-N 1 0 349.438 3.017 20 10 EGCDRO C[C@@H]([NH2+]CCCCCC[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000843340663 1321502343 /nfs/dbraw/zinc/50/23/43/1321502343.db2.gz DEEFPQWFJHONJR-SNVBAGLBSA-N 1 0 333.245 3.464 20 10 EGCDRO c1csc(CN(C[C@@H]2CC[NH2+]C2)c2ccc3c(c2)OCCO3)c1 ZINC000843356428 1321504937 /nfs/dbraw/zinc/50/49/37/1321504937.db2.gz ONMISAJYMYBRAE-CQSZACIVSA-N 1 0 330.453 3.135 20 10 EGCDRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000843415527 1321514581 /nfs/dbraw/zinc/51/45/81/1321514581.db2.gz CHHFZYCRAMVBRQ-NWDGAFQWSA-N 1 0 326.412 3.313 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000843455144 1321519779 /nfs/dbraw/zinc/51/97/79/1321519779.db2.gz JETYEFKRHZAQKO-HIFRSBDPSA-N 1 0 329.419 3.043 20 10 EGCDRO C[NH2+]C[C@H](C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843484671 1321522129 /nfs/dbraw/zinc/52/21/29/1321522129.db2.gz KVYQGXCNCFKYGU-JKSUJKDBSA-N 1 0 326.440 3.338 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C(C)C)nc2C)cc1 ZINC000846051020 1321764130 /nfs/dbraw/zinc/76/41/30/1321764130.db2.gz APQFGPBFOUNNRX-UHFFFAOYSA-N 1 0 330.476 3.349 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)N(C)C)c1O ZINC000846135460 1321770161 /nfs/dbraw/zinc/77/01/61/1321770161.db2.gz DAZORJVBOZFLEV-DOTOQJQBSA-N 1 0 328.456 3.224 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000846143716 1321771420 /nfs/dbraw/zinc/77/14/20/1321771420.db2.gz GDCZBJBUAAWMMU-QWHCGFSZSA-N 1 0 340.423 3.332 20 10 EGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)C2 ZINC000846157986 1321772591 /nfs/dbraw/zinc/77/25/91/1321772591.db2.gz QXERWFZCLNJELG-TZMCWYRMSA-N 1 0 329.396 3.064 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000846169965 1321773706 /nfs/dbraw/zinc/77/37/06/1321773706.db2.gz HGHIFMOCWNGLGD-VHFSOBRXSA-N 1 0 327.424 3.218 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000846170764 1321773782 /nfs/dbraw/zinc/77/37/82/1321773782.db2.gz ZOSYOWRIELJUBM-YEWWUXTCSA-N 1 0 328.412 3.367 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000846215260 1321776772 /nfs/dbraw/zinc/77/67/72/1321776772.db2.gz WRVQRINLDXPWJX-GOSISDBHSA-N 1 0 336.439 3.001 20 10 EGCDRO CC[N@H+](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000846369420 1321785701 /nfs/dbraw/zinc/78/57/01/1321785701.db2.gz PBALZWWZNPLXOI-ZRDIBKRKSA-N 1 0 346.471 3.272 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)n1-c1ccccn1 ZINC000846694500 1321801741 /nfs/dbraw/zinc/80/17/41/1321801741.db2.gz PVPFOKWEKJNUAR-KDOFPFPSSA-N 1 0 340.471 3.079 20 10 EGCDRO Cc1cc(C[NH+]2CCN(c3ncc[nH]3)CC2)ccc1N1CCCCC1 ZINC000846876439 1321819685 /nfs/dbraw/zinc/81/96/85/1321819685.db2.gz SCVUBEGSXDPSTG-UHFFFAOYSA-N 1 0 339.487 3.031 20 10 EGCDRO Cc1cnc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000848564557 1321976876 /nfs/dbraw/zinc/97/68/76/1321976876.db2.gz OJSWCSMDMHEYDI-UHFFFAOYSA-N 1 0 343.446 3.006 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000848883918 1322028958 /nfs/dbraw/zinc/02/89/58/1322028958.db2.gz URXLQUFJIDUNHG-TXPKVOOTSA-N 1 0 332.488 3.028 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@H](O)COc2c(C)cccc2C)c1O ZINC000848894456 1322033417 /nfs/dbraw/zinc/03/34/17/1322033417.db2.gz LYXNHXBZGKGMJM-GOSISDBHSA-N 1 0 329.440 3.101 20 10 EGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(CC)c2O)CC1 ZINC000848903627 1322040163 /nfs/dbraw/zinc/04/01/63/1322040163.db2.gz BSMZBEPNNQTUEW-AWEZNQCLSA-N 1 0 334.460 3.301 20 10 EGCDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccccc1O ZINC000849090409 1322073667 /nfs/dbraw/zinc/07/36/67/1322073667.db2.gz NJMOTZVPXIZNNP-UHFFFAOYSA-N 1 0 339.317 3.105 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C(N)=O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000850023165 1322183797 /nfs/dbraw/zinc/18/37/97/1322183797.db2.gz CMDLPUGFEHWDFI-QGZVFWFLSA-N 1 0 342.439 3.015 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850093994 1322192439 /nfs/dbraw/zinc/19/24/39/1322192439.db2.gz NPGPGURXSINPAA-GFCCVEGCSA-N 1 0 336.476 3.091 20 10 EGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850353427 1322231960 /nfs/dbraw/zinc/23/19/60/1322231960.db2.gz CHEPINCTXXVLMV-UHFFFAOYSA-N 1 0 334.504 3.190 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC000850531058 1322262169 /nfs/dbraw/zinc/26/21/69/1322262169.db2.gz GUUXWGPEVZJWEO-CQSZACIVSA-N 1 0 325.474 3.099 20 10 EGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(N(C)C)cc1 ZINC000850562816 1322268806 /nfs/dbraw/zinc/26/88/06/1322268806.db2.gz PGJKPIOZURLMHO-QUCCMNQESA-N 1 0 334.504 3.361 20 10 EGCDRO Cc1cc(C[NH+]2CCC(O)(Cc3ccccn3)CC2)ccc1N(C)C ZINC000930986519 1329022154 /nfs/dbraw/zinc/02/21/54/1329022154.db2.gz NHKSLAOVKDWYFY-UHFFFAOYSA-N 1 0 339.483 3.026 20 10 EGCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922125800 1322460562 /nfs/dbraw/zinc/46/05/62/1322460562.db2.gz MZGRURDSOILCBV-HSZRJFAPSA-N 1 0 329.465 3.180 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(OC)c1 ZINC000922245331 1322486835 /nfs/dbraw/zinc/48/68/35/1322486835.db2.gz MHFYYTIMBYODMD-LJQANCHMSA-N 1 0 327.424 3.498 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000922984462 1322668725 /nfs/dbraw/zinc/66/87/25/1322668725.db2.gz JPNJLPYCWRSSJS-AWEZNQCLSA-N 1 0 341.329 3.243 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCO)cc2)CC1 ZINC000852460234 1323195052 /nfs/dbraw/zinc/19/50/52/1323195052.db2.gz BCAHGUZSCSMXJE-DYESRHJHSA-N 1 0 346.515 3.285 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)C2([NH3+])CC3(CCC3)C2)cc1 ZINC000852856828 1323247818 /nfs/dbraw/zinc/24/78/18/1323247818.db2.gz GUMPXYZJJJJCTH-UHFFFAOYSA-N 1 0 329.488 3.153 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cnnn1-c1ccccc1 ZINC000925081533 1323271691 /nfs/dbraw/zinc/27/16/91/1323271691.db2.gz RDXABMTXEDJGAZ-MRXNPFEDSA-N 1 0 335.455 3.493 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C=C(C)C)C[C@H]23)cc1C ZINC001026184777 1324652504 /nfs/dbraw/zinc/65/25/04/1324652504.db2.gz LBOQZRSLWBOIGQ-CEXWTWQISA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)C3CCC3)CC2)cc1C ZINC001026440197 1324802471 /nfs/dbraw/zinc/80/24/71/1324802471.db2.gz QHKKTOLWYNHEGX-UHFFFAOYSA-N 1 0 330.472 3.321 20 10 EGCDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cc(F)ccc1O ZINC000854221830 1325229811 /nfs/dbraw/zinc/22/98/11/1325229811.db2.gz ASXZXWSHHNICBC-BJOOFOGMSA-N 1 0 332.394 3.467 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(N)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000854218476 1325230774 /nfs/dbraw/zinc/23/07/74/1325230774.db2.gz UXYBBSKRHKWWDV-CQSZACIVSA-N 1 0 329.419 3.095 20 10 EGCDRO COc1cc(CCC[NH2+]Cc2ccc(N(C)C)cc2)cc(OC)c1O ZINC000856812114 1325530876 /nfs/dbraw/zinc/53/08/76/1325530876.db2.gz IWXDHBHWWINVRU-UHFFFAOYSA-N 1 0 344.455 3.198 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC3CCCC3)C2)cc1C ZINC000966563910 1328341619 /nfs/dbraw/zinc/34/16/19/1328341619.db2.gz SXLGAATUPFGVHL-GOSISDBHSA-N 1 0 330.472 3.274 20 10 EGCDRO CN(Cc1c(O)cccc1Br)[C@H](CO)c1ccccc1 ZINC000862384312 1329480832 /nfs/dbraw/zinc/48/08/32/1329480832.db2.gz UZIHWRHPODMIPT-OAHLLOKOSA-N 1 0 336.229 3.320 20 10 EGCDRO CC(C)[NH+]1CCC(N(C)Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862215420 1329466474 /nfs/dbraw/zinc/46/64/74/1329466474.db2.gz IKRBVYDXRXFLOF-UHFFFAOYSA-N 1 0 325.447 3.335 20 10 EGCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2cc(Cl)ccc2O)c1C ZINC000862403716 1329483494 /nfs/dbraw/zinc/48/34/94/1329483494.db2.gz VMUYJMNSJDMZTG-UHFFFAOYSA-N 1 0 336.819 3.457 20 10 EGCDRO CCOc1ccc(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)c(O)c1 ZINC000862536926 1329493918 /nfs/dbraw/zinc/49/39/18/1329493918.db2.gz OKHOHGWTMKSQQX-GOSISDBHSA-N 1 0 341.407 3.063 20 10 EGCDRO CCOc1cccc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862540844 1329494121 /nfs/dbraw/zinc/49/41/21/1329494121.db2.gz KZFLRSAQEKMSFC-ZDUSSCGKSA-N 1 0 338.448 3.136 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)c1 ZINC000863937064 1329589856 /nfs/dbraw/zinc/58/98/56/1329589856.db2.gz JIWDPIMMUBJPQL-SFHVURJKSA-N 1 0 338.451 3.440 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C2CCN(c3ccccc3OC)CC2)c1 ZINC000865463501 1329700671 /nfs/dbraw/zinc/70/06/71/1329700671.db2.gz KODCCINKYSQZJR-UHFFFAOYSA-N 1 0 342.439 3.168 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)c1 ZINC000865640535 1329723826 /nfs/dbraw/zinc/72/38/26/1329723826.db2.gz LISRUFGUMRXSEV-ZDUSSCGKSA-N 1 0 344.402 3.339 20 10 EGCDRO c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000865651287 1329725363 /nfs/dbraw/zinc/72/53/63/1329725363.db2.gz YDSSPTKFDNKGKS-RTWAWAEBSA-N 1 0 338.451 3.143 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2)c1O ZINC000865749542 1329734792 /nfs/dbraw/zinc/73/47/92/1329734792.db2.gz DWWZMJRXTGXZKM-GOSISDBHSA-N 1 0 326.440 3.073 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC[C@@H](O)C3CCCC3)CC2)cc1 ZINC000865876921 1329748242 /nfs/dbraw/zinc/74/82/42/1329748242.db2.gz ZAMAQYQIRJVJKT-HXUWFJFHSA-N 1 0 332.488 3.195 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1 ZINC000865879169 1329748358 /nfs/dbraw/zinc/74/83/58/1329748358.db2.gz JVKKHUUKEGSREN-UHFFFAOYSA-N 1 0 328.412 3.060 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cc1F ZINC000865879131 1329748383 /nfs/dbraw/zinc/74/83/83/1329748383.db2.gz JDJAABHRYLJVHU-UHFFFAOYSA-N 1 0 329.419 3.161 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866435333 1330112031 /nfs/dbraw/zinc/11/20/31/1330112031.db2.gz AQYUAZFIYDFWGY-AAEUAGOBSA-N 1 0 348.756 3.481 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c(O)c1 ZINC000866436726 1330112222 /nfs/dbraw/zinc/11/22/22/1330112222.db2.gz RAOLTDDXSXPBQX-DGCLKSJQSA-N 1 0 328.338 3.055 20 10 EGCDRO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1O ZINC000868168981 1330258141 /nfs/dbraw/zinc/25/81/41/1330258141.db2.gz SLNRJOZDXALBKN-OAHLLOKOSA-N 1 0 345.487 3.407 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(C)CC=CC2)cc1C ZINC001035034906 1342888778 /nfs/dbraw/zinc/88/87/78/1342888778.db2.gz AVWJWUULDIYHAQ-GOSISDBHSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]2C)cc1C ZINC001036179031 1343349462 /nfs/dbraw/zinc/34/94/62/1343349462.db2.gz DYCXHQVZOKUWHW-RDJZCZTQSA-N 1 0 348.462 3.080 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)c2ccc[nH]2)cc1C ZINC001036945452 1343886732 /nfs/dbraw/zinc/88/67/32/1343886732.db2.gz YSKYBKXRVQGJPN-IAGOWNOFSA-N 1 0 341.455 3.020 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C(C)(C)C)cc1C ZINC001037141248 1343990696 /nfs/dbraw/zinc/99/06/96/1343990696.db2.gz YKJXYSOVRWCGNC-IRXDYDNUSA-N 1 0 332.488 3.424 20 10 EGCDRO CCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1CC ZINC001037977359 1344216339 /nfs/dbraw/zinc/21/63/39/1344216339.db2.gz SRWRSVOUJUZDKY-BBRMVZONSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC3CC3)[C@H](C)C2)cc1C ZINC001044403358 1346317657 /nfs/dbraw/zinc/31/76/57/1346317657.db2.gz HCEDTDUNBXTCLP-CRAIPNDOSA-N 1 0 330.472 3.273 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(F)F)[C@H](C)C2)cc1C ZINC001044407284 1346319183 /nfs/dbraw/zinc/31/91/83/1346319183.db2.gz HQECTGXDGGIMCB-HIFRSBDPSA-N 1 0 340.414 3.128 20 10 EGCDRO CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862496 1347135399 /nfs/dbraw/zinc/13/53/99/1347135399.db2.gz LNMKZBSZQPBMMD-GOSISDBHSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C(C)(C)C)C2)cc1C ZINC001048034700 1347445307 /nfs/dbraw/zinc/44/53/07/1347445307.db2.gz CBSKVBGTXHTHTH-RDJZCZTQSA-N 1 0 332.488 3.376 20 10 EGCDRO CCC[N@H+](CCOC)Cc1c(Br)ccc(OC)c1O ZINC001231547827 1376260994 /nfs/dbraw/zinc/26/09/94/1376260994.db2.gz JUSNRZMGWWMNMA-UHFFFAOYSA-N 1 0 332.238 3.022 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cccs3)C[C@@H]2C)cc1C ZINC001054350423 1349330224 /nfs/dbraw/zinc/33/02/24/1349330224.db2.gz KERFLEGVBGJMKV-HOCLYGCPSA-N 1 0 344.480 3.315 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@](C)(O)C2)c1O ZINC001233106753 1376570812 /nfs/dbraw/zinc/57/08/12/1376570812.db2.gz MPMMMXQKPKFKIE-HNNXBMFYSA-N 1 0 328.250 3.200 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001183366204 1387303646 /nfs/dbraw/zinc/30/36/46/1387303646.db2.gz PBBLTIIBEKKBQP-AEFFLSMTSA-N 1 0 332.488 3.335 20 10 EGCDRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]n1 ZINC001323189158 1387308810 /nfs/dbraw/zinc/30/88/10/1387308810.db2.gz FCVKUOSXHSWJNJ-ZDUSSCGKSA-N 1 0 336.386 3.078 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@]3(C)C=CCC3)C[C@H]2C)cc1C ZINC001082689054 1358073887 /nfs/dbraw/zinc/07/38/87/1358073887.db2.gz YMWSGJCBDHAFAE-BLIXFSHQSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@H]2C)cc1C ZINC001082769831 1358089794 /nfs/dbraw/zinc/08/97/94/1358089794.db2.gz RDGRCCGRDCNASJ-KBAYOESNSA-N 1 0 342.483 3.130 20 10 EGCDRO CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994042 1358948273 /nfs/dbraw/zinc/94/82/73/1358948273.db2.gz AEBVJFAVPZSSOP-CZUORRHYSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC34CCC4)C2)cc1C ZINC001086212062 1359028568 /nfs/dbraw/zinc/02/85/68/1359028568.db2.gz AJZOVKPFYYQILQ-FGTMMUONSA-N 1 0 342.483 3.178 20 10 EGCDRO CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001089734849 1360639426 /nfs/dbraw/zinc/63/94/26/1360639426.db2.gz YYSHEGMQWNOJFY-HNNXBMFYSA-N 1 0 345.447 3.089 20 10 EGCDRO CC[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001093643932 1361665979 /nfs/dbraw/zinc/66/59/79/1361665979.db2.gz UGGVBUXOFMVOSY-QGPMSJSTSA-N 1 0 332.488 3.234 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC001324848831 1387791427 /nfs/dbraw/zinc/79/14/27/1387791427.db2.gz TXNNCAGOGHZAPY-PNBKFKSVSA-N 1 0 341.455 3.492 20 10 EGCDRO COc1cc(C(=O)NCC[PH+](C(C)C)C(C)C)cc(O)c1O ZINC001193118933 1367948770 /nfs/dbraw/zinc/94/87/70/1367948770.db2.gz DLRLQSHRWGMFOZ-UHFFFAOYSA-N 1 0 327.361 3.135 20 10 EGCDRO CCOC[C@H]1CN(Cc2ccccc2O)Cc2ncn(CC3CC3)c21 ZINC001203551941 1370166574 /nfs/dbraw/zinc/16/65/74/1370166574.db2.gz UJICVUCZWXBRLE-QGZVFWFLSA-N 1 0 341.455 3.135 20 10 EGCDRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203556684 1370168249 /nfs/dbraw/zinc/16/82/49/1370168249.db2.gz TUCBDSIALIORIR-QFIPXVFZSA-N 1 0 348.446 3.293 20 10 EGCDRO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](Cc3ccccc3O)C2)c1 ZINC001203558288 1370169061 /nfs/dbraw/zinc/16/90/61/1370169061.db2.gz BUSXNXUCOYGUJT-INIZCTEOSA-N 1 0 345.464 3.175 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c1O ZINC001203584999 1370178901 /nfs/dbraw/zinc/17/89/01/1370178901.db2.gz KFPMIFOVGCHTIH-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO COc1cccc(CN2CCC([N@H+](C)Cc3ccccc3)CC2)c1O ZINC001203595838 1370181955 /nfs/dbraw/zinc/18/19/55/1370181955.db2.gz QRHREOMTGLMASV-UHFFFAOYSA-N 1 0 340.467 3.497 20 10 EGCDRO CCOc1cccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1O ZINC001203617597 1370189472 /nfs/dbraw/zinc/18/94/72/1370189472.db2.gz RCXCUFHCHJXIBZ-HDICACEKSA-N 1 0 338.451 3.359 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c(O)c1 ZINC001203631041 1370193956 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/nfs/dbraw/zinc/75/90/38/1377759038.db2.gz AZWTTZLRURTZAT-UHFFFAOYSA-N 1 0 342.487 3.070 20 10 EGCDRO C[N@H+](Cc1ccc(OCCO)cc1)Cc1ccc(N2CCCC2)cc1 ZINC001138797808 1377786882 /nfs/dbraw/zinc/78/68/82/1377786882.db2.gz GDZGBOSOVWQHFR-UHFFFAOYSA-N 1 0 340.467 3.290 20 10 EGCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001139126253 1377833855 /nfs/dbraw/zinc/83/38/55/1377833855.db2.gz CTSXJAVQWOADHI-GDBMZVCRSA-N 1 0 341.407 3.141 20 10 EGCDRO Cc1cccc(CC[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001139413140 1377880642 /nfs/dbraw/zinc/88/06/42/1377880642.db2.gz SFQAQNNHVKGXMO-UHFFFAOYSA-N 1 0 337.511 3.421 20 10 EGCDRO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CCN(C(C)=O)CC1 ZINC001139673726 1377931451 /nfs/dbraw/zinc/93/14/51/1377931451.db2.gz WHQYKLZTQSHJET-UHFFFAOYSA-N 1 0 331.504 3.284 20 10 EGCDRO COC(=O)c1ccc(C2C[NH+](Cc3ccc(N(C)C)c(C)c3)C2)cc1 ZINC001139673413 1377931844 /nfs/dbraw/zinc/93/18/44/1377931844.db2.gz GLYUXTCRNOYSKP-UHFFFAOYSA-N 1 0 338.451 3.447 20 10 EGCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)CN1c1ccsc1 ZINC001140053708 1377996574 /nfs/dbraw/zinc/99/65/74/1377996574.db2.gz AKDXTSMGMLOXMN-GOSISDBHSA-N 1 0 346.427 3.222 20 10 EGCDRO Oc1ccc(F)cc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140060275 1377998415 /nfs/dbraw/zinc/99/84/15/1377998415.db2.gz SUVYUWQWLFOQGJ-MJGOQNOKSA-N 1 0 340.442 3.485 20 10 EGCDRO Oc1ccc(F)cc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140060274 1377998539 /nfs/dbraw/zinc/99/85/39/1377998539.db2.gz SUVYUWQWLFOQGJ-IEBWSBKVSA-N 1 0 340.442 3.485 20 10 EGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(O)cccc3Br)C[C@@H]21 ZINC001140101720 1378007735 /nfs/dbraw/zinc/00/77/35/1378007735.db2.gz YTMBZFLUYJHZGA-BFQNTYOBSA-N 1 0 340.261 3.402 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)Cc2cnn(CC)c21 ZINC001140180223 1378026701 /nfs/dbraw/zinc/02/67/01/1378026701.db2.gz LIHJVJIFDRUKOA-KRWDZBQOSA-N 1 0 343.471 3.361 20 10 EGCDRO Cc1cnc(OC2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)nc1 ZINC001140184883 1378028392 /nfs/dbraw/zinc/02/83/92/1378028392.db2.gz JLAYNUNFBSNWHQ-UHFFFAOYSA-N 1 0 327.428 3.151 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)C[C@H]1c1ccccc1 ZINC001140185211 1378028533 /nfs/dbraw/zinc/02/85/33/1378028533.db2.gz RZNLOYPQUQYANK-OALUTQOASA-N 1 0 339.435 3.398 20 10 EGCDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(O)cccc3Cl)O2)n1 ZINC001140338754 1378048332 /nfs/dbraw/zinc/04/83/32/1378048332.db2.gz OOISULKJTRUSLR-FVQBIDKESA-N 1 0 349.818 3.232 20 10 EGCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c(O)cccc1Cl)C2 ZINC001140339929 1378048892 /nfs/dbraw/zinc/04/88/92/1378048892.db2.gz PKLNFLCEQDMCGO-UHFFFAOYSA-N 1 0 348.878 3.098 20 10 EGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001140462461 1378067355 /nfs/dbraw/zinc/06/73/55/1378067355.db2.gz GUJCEXPCXCMJQA-QWHCGFSZSA-N 1 0 341.732 3.273 20 10 EGCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)CC[C@@H]21 ZINC001140464923 1378067686 /nfs/dbraw/zinc/06/76/86/1378067686.db2.gz FDGSJPRPQIAWTO-CJNGLKHVSA-N 1 0 336.863 3.124 20 10 EGCDRO O=C1N(CC2CCCC2)CC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001273284440 1378094592 /nfs/dbraw/zinc/09/45/92/1378094592.db2.gz IPAPEPZGBJQMAH-FQEVSTJZSA-N 1 0 346.446 3.146 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1 ZINC001140619704 1378099410 /nfs/dbraw/zinc/09/94/10/1378099410.db2.gz LMTOVCNCRQVDIW-CALCHBBNSA-N 1 0 328.481 3.326 20 10 EGCDRO COc1cc(OC2CC[NH+](Cc3cc(C)ccc3O)CC2)ccn1 ZINC001140624366 1378100497 /nfs/dbraw/zinc/10/04/97/1378100497.db2.gz SZGRAMFVKWUQMP-UHFFFAOYSA-N 1 0 328.412 3.148 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)CC1 ZINC001273924223 1378113293 /nfs/dbraw/zinc/11/32/93/1378113293.db2.gz GLJSKPJYHFLBEW-NRFANRHFSA-N 1 0 343.515 3.366 20 10 EGCDRO Cc1cccnc1OC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749579 1378129355 /nfs/dbraw/zinc/12/93/55/1378129355.db2.gz FOBGAVXZKFYDGI-UHFFFAOYSA-N 1 0 328.412 3.153 20 10 EGCDRO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N(CC)CC)cc1O ZINC001140856080 1378159519 /nfs/dbraw/zinc/15/95/19/1378159519.db2.gz QSEKBXIHCVBZGM-CRAIPNDOSA-N 1 0 348.487 3.402 20 10 EGCDRO CCOC(=O)C1(C)CC[NH+](Cc2ccc(N(CC)CC)cc2O)CC1 ZINC001140856353 1378159688 /nfs/dbraw/zinc/15/96/88/1378159688.db2.gz YSPSFOUBCDKRSY-UHFFFAOYSA-N 1 0 348.487 3.404 20 10 EGCDRO CCOCC[NH+](CCOCC)Cc1ccc(N(CC)CC)cc1O ZINC001140856074 1378159703 /nfs/dbraw/zinc/15/97/03/1378159703.db2.gz QKKFEHDCRNFUDP-UHFFFAOYSA-N 1 0 338.492 3.113 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c(Cl)c1 ZINC001140924050 1378182428 /nfs/dbraw/zinc/18/24/28/1378182428.db2.gz BUVVBQCVSYQQJR-UHFFFAOYSA-N 1 0 325.859 3.024 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001140954319 1378191241 /nfs/dbraw/zinc/19/12/41/1378191241.db2.gz QBKMGUGCHYNEKE-UAGQMJEPSA-N 1 0 346.471 3.436 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001140954320 1378192174 /nfs/dbraw/zinc/19/21/74/1378192174.db2.gz QBKMGUGCHYNEKE-USXIJHARSA-N 1 0 346.471 3.436 20 10 EGCDRO COc1cccc(OC2CC[NH+](Cc3ccc(C)cc3O)CC2)n1 ZINC001140954802 1378193836 /nfs/dbraw/zinc/19/38/36/1378193836.db2.gz ZTXQZWOEADPQGV-UHFFFAOYSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)CC/C=C/c2cccnc2)c(OC)c1 ZINC001141031002 1378214917 /nfs/dbraw/zinc/21/49/17/1378214917.db2.gz VEPGRWLTGCSSLV-QPJJXVBHSA-N 1 0 328.412 3.340 20 10 EGCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076441 1378232282 /nfs/dbraw/zinc/23/22/82/1378232282.db2.gz RZEDLCCSCQJUIU-BEFAXECRSA-N 1 0 342.483 3.016 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]3COCc3ccccc3)ccc21 ZINC001141143002 1378248225 /nfs/dbraw/zinc/24/82/25/1378248225.db2.gz JMLMRSILDOZTNJ-IBGZPJMESA-N 1 0 338.451 3.306 20 10 EGCDRO CN1CCOc2cc(CN3CCCC[C@@H]3CC[NH+]3CCCC3)ccc21 ZINC001141142970 1378248548 /nfs/dbraw/zinc/24/85/48/1378248548.db2.gz IHZZOBCFJYWWKB-LJQANCHMSA-N 1 0 343.515 3.356 20 10 EGCDRO Oc1ccc(O)c(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC001141158469 1378252627 /nfs/dbraw/zinc/25/26/27/1378252627.db2.gz ANGSCCSIWRYOCL-UHFFFAOYSA-N 1 0 335.350 3.419 20 10 EGCDRO [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCCC[C@H]1CO ZINC001141366343 1378311259 /nfs/dbraw/zinc/31/12/59/1378311259.db2.gz NXHVBMABMYDRCJ-NSHDSACASA-N 1 0 334.641 3.155 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1O ZINC001143111192 1378542494 /nfs/dbraw/zinc/54/24/94/1378542494.db2.gz ZFEGHCWTRPMXLR-UHFFFAOYSA-N 1 0 330.472 3.180 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1O ZINC001143108305 1378542497 /nfs/dbraw/zinc/54/24/97/1378542497.db2.gz MZSGHFBITLHTTI-FQEVSTJZSA-N 1 0 330.472 3.324 20 10 EGCDRO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117160 1378543043 /nfs/dbraw/zinc/54/30/43/1378543043.db2.gz VTWFPCPIWMHROA-INIZCTEOSA-N 1 0 347.503 3.362 20 10 EGCDRO COc1cccc(C[C@@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)c1 ZINC001144516404 1378739897 /nfs/dbraw/zinc/73/98/97/1378739897.db2.gz XSQAJDJZTHBLRD-HNNXBMFYSA-N 1 0 343.423 3.267 20 10 EGCDRO C[C@@H]1OC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c2ccccc21 ZINC001144520629 1378740197 /nfs/dbraw/zinc/74/01/97/1378740197.db2.gz WVOMDSZLPJFQMF-ZDUSSCGKSA-N 1 0 341.407 3.386 20 10 EGCDRO CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146662080 1378892501 /nfs/dbraw/zinc/89/25/01/1378892501.db2.gz FFPSOFLPBLFWBW-KBPBESRZSA-N 1 0 345.447 3.302 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001327815856 1388599625 /nfs/dbraw/zinc/59/96/25/1388599625.db2.gz MEMNUIPORNNVRW-WFASDCNBSA-N 1 0 326.234 3.156 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@]2(C)CC=C(C)CC2)cc1C ZINC001151913091 1379814848 /nfs/dbraw/zinc/81/48/48/1379814848.db2.gz DOLACQRDGKAARQ-HXUWFJFHSA-N 1 0 330.472 3.346 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccn3C3CC3)C2)cc1 ZINC001328041997 1388652259 /nfs/dbraw/zinc/65/22/59/1388652259.db2.gz RIIVEWFVNAOVMY-INIZCTEOSA-N 1 0 325.456 3.448 20 10 EGCDRO CCc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ncn1 ZINC001155640573 1380477782 /nfs/dbraw/zinc/47/77/82/1380477782.db2.gz GRISXPDBILIVJC-GMLUQMLDSA-N 1 0 338.499 3.438 20 10 EGCDRO Cc1nc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(Cl)n1 ZINC001156655438 1380604765 /nfs/dbraw/zinc/60/47/65/1380604765.db2.gz BBQWWACYSZHUCJ-UHFFFAOYSA-N 1 0 345.878 3.111 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H](F)C2)cc1C ZINC001157809158 1381039868 /nfs/dbraw/zinc/03/98/68/1381039868.db2.gz MHEXHRQAEIEGCP-SJORKVTESA-N 1 0 336.451 3.128 20 10 EGCDRO COc1ccc(C(=O)c2ccccc2Nc2cnn(C3C[NH2+]C3)c2)cc1 ZINC001159932876 1381940574 /nfs/dbraw/zinc/94/05/74/1381940574.db2.gz HKXPMGAAWTYTMZ-UHFFFAOYSA-N 1 0 348.406 3.011 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001163321636 1383022065 /nfs/dbraw/zinc/02/20/65/1383022065.db2.gz DGDGCDHAQLDVNB-QUCCMNQESA-N 1 0 325.456 3.417 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncnc2c1CC[NH2+]C2 ZINC001163487862 1383062696 /nfs/dbraw/zinc/06/26/96/1383062696.db2.gz WFXBYSBRWRQJQD-SFHVURJKSA-N 1 0 338.455 3.180 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccnc(C(C)(C)C)n3)cc2)CC1 ZINC001164007750 1383145816 /nfs/dbraw/zinc/14/58/16/1383145816.db2.gz FPCJGPGDKPHHKX-UHFFFAOYSA-N 1 0 339.487 3.138 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C3=CCCC3)CC2)cc1C ZINC001164075835 1383153307 /nfs/dbraw/zinc/15/33/07/1383153307.db2.gz MPWWVOPSGGONCP-UHFFFAOYSA-N 1 0 342.483 3.490 20 10 EGCDRO CCn1ccc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)c1C ZINC001164452944 1383188075 /nfs/dbraw/zinc/18/80/75/1383188075.db2.gz MIMRESVAFYLDKB-UHFFFAOYSA-N 1 0 343.471 3.043 20 10 EGCDRO c1cncc(-c2cccc3c2C2(CN3c3ccncn3)CC[NH2+]CC2)c1 ZINC001166128113 1383393103 /nfs/dbraw/zinc/39/31/03/1383393103.db2.gz VBBCMLRCSCXYQF-UHFFFAOYSA-N 1 0 343.434 3.312 20 10 EGCDRO Cc1cc2nc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2[nH]1 ZINC001167427001 1383630921 /nfs/dbraw/zinc/63/09/21/1383630921.db2.gz SSOZJTBTAUQZLI-UHFFFAOYSA-N 1 0 335.455 3.235 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1C ZINC001169678540 1384172488 /nfs/dbraw/zinc/17/24/88/1384172488.db2.gz DBHFKJLICZGBKC-RTBURBONSA-N 1 0 344.499 3.426 20 10 EGCDRO [NH3+]CCN(c1ccc2c(c1)[C@H](O)CCO2)C12CC3CC(CC(C3)C1)C2 ZINC001170626910 1384353570 /nfs/dbraw/zinc/35/35/70/1384353570.db2.gz MGTHAHSSGSUYNO-KXDMBUCYSA-N 1 0 342.483 3.236 20 10 EGCDRO FC(F)(F)Oc1ccc(N2CC[NH+]([C@H]3CCCOCC3)CC2)cc1 ZINC001170844167 1384397265 /nfs/dbraw/zinc/39/72/65/1384397265.db2.gz IIIXPXUYURISFL-AWEZNQCLSA-N 1 0 344.377 3.276 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)c2ccco2)cc1C ZINC001171383741 1384508191 /nfs/dbraw/zinc/50/81/91/1384508191.db2.gz KIGQNCKBPVKTLB-MRXNPFEDSA-N 1 0 344.455 3.386 20 10 EGCDRO C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC001329025096 1388934144 /nfs/dbraw/zinc/93/41/44/1388934144.db2.gz XSAKIEBRLTVNPT-RKDXNWHRSA-N 1 0 335.673 3.314 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C(C)(C)C(F)(F)F)cc1C ZINC001171698928 1384605792 /nfs/dbraw/zinc/60/57/92/1384605792.db2.gz FQPUJIHQWSYCIU-UHFFFAOYSA-N 1 0 346.393 3.188 20 10 EGCDRO COc1cccc2c1C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CO2 ZINC001173144676 1384923913 /nfs/dbraw/zinc/92/39/13/1384923913.db2.gz MUXYQTKJXOAMOB-KRWDZBQOSA-N 1 0 338.451 3.389 20 10 EGCDRO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CO2 ZINC001173166269 1384928381 /nfs/dbraw/zinc/92/83/81/1384928381.db2.gz YBBUQSNWEDLJDZ-GOEBONIOSA-N 1 0 326.440 3.416 20 10 EGCDRO COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001173727871 1385010618 /nfs/dbraw/zinc/01/06/18/1385010618.db2.gz HFOOMMLXBCNMIV-AWEZNQCLSA-N 1 0 325.408 3.168 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001174791969 1385149564 /nfs/dbraw/zinc/14/95/64/1385149564.db2.gz NLADMEVMDAVYGJ-LESCRADOSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(CCF)CC3)[C@H]2C)cc1C ZINC001179224261 1386426839 /nfs/dbraw/zinc/42/68/39/1386426839.db2.gz QMLNDBPGRDNOCS-RDJZCZTQSA-N 1 0 348.462 3.222 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC001320118163 1386525093 /nfs/dbraw/zinc/52/50/93/1386525093.db2.gz GDSDIXCNPCQVFU-UONOGXRCSA-N 1 0 326.444 3.357 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC001320121802 1386526040 /nfs/dbraw/zinc/52/60/40/1386526040.db2.gz CVXPPVGXEJDLDH-JHJVBQTASA-N 1 0 328.378 3.475 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001320410669 1386602512 /nfs/dbraw/zinc/60/25/12/1386602512.db2.gz DZWBFAHBJSFYKZ-PBHICJAKSA-N 1 0 338.451 3.441 20 10 EGCDRO C[C@H](CNC(=O)/C=C/c1ccc(N(C)C)cc1)CC(C)(C)CC[NH3+] ZINC001180129967 1386706194 /nfs/dbraw/zinc/70/61/94/1386706194.db2.gz OYMMZIHQAPRIDC-KXKDPZRNSA-N 1 0 331.504 3.283 20 10 EGCDRO CN(C)c1ccc(/C=C/C(=O)NCCC[NH2+]C2CCCCC2)cc1 ZINC001180129770 1386706591 /nfs/dbraw/zinc/70/65/91/1386706591.db2.gz GZLZQRZIGIPSOB-SDNWHVSQSA-N 1 0 329.488 3.194 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001322121481 1387063472 /nfs/dbraw/zinc/06/34/72/1387063472.db2.gz QNWBSBIDOBYCRJ-DJIMGWMZSA-N 1 0 333.472 3.264 20 10 EGCDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)CCc1ccc(O)c(O)c1 ZINC001182156006 1387114198 /nfs/dbraw/zinc/11/41/98/1387114198.db2.gz ZODOWMOSTJWREW-INIZCTEOSA-N 1 0 340.423 3.166 20 10 EGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC001329722926 1389209823 /nfs/dbraw/zinc/20/98/23/1389209823.db2.gz JIYPJUNTTRQKEE-HOTGVXAUSA-N 1 0 330.394 3.324 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2cc(OC)ccc2O)cc1OC ZINC001337238178 1389282927 /nfs/dbraw/zinc/28/29/27/1389282927.db2.gz JDVXNBKOMDHTGE-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCNC(=O)c1ccccc1F ZINC001337795585 1389445736 /nfs/dbraw/zinc/44/57/36/1389445736.db2.gz HRBWUOXYYKIUKF-BBRMVZONSA-N 1 0 342.414 3.408 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC(=O)NCCc1ccccc1 ZINC001337798309 1389447040 /nfs/dbraw/zinc/44/70/40/1389447040.db2.gz GDKMIPYABXZNDN-DOTOQJQBSA-N 1 0 338.451 3.197 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC001333513754 1390324432 /nfs/dbraw/zinc/32/44/32/1390324432.db2.gz DQWIMXFSUBSENV-FQEVSTJZSA-N 1 0 328.431 3.423 20 10 EGCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001341553379 1390501559 /nfs/dbraw/zinc/50/15/59/1390501559.db2.gz LCTQZEDWTNDNEU-SFHVURJKSA-N 1 0 329.488 3.025 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]C2CCC3(CCCO3)CC2)N(C)C)cc1 ZINC001343332802 1390707580 /nfs/dbraw/zinc/70/75/80/1390707580.db2.gz IRTUKLWQFMRTIN-CKHPTIKVSA-N 1 0 345.531 3.437 20 10 EGCDRO COCc1csc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)c1 ZINC001350627533 1391493994 /nfs/dbraw/zinc/49/39/94/1391493994.db2.gz WKNXXJITJLNEQG-UHFFFAOYSA-N 1 0 334.485 3.471 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001753552355 1440435280 /nfs/dbraw/zinc/43/52/80/1440435280.db2.gz DMWOWHNFJOTOSC-IEZWGBDMSA-N 1 0 344.499 3.378 20 10 EGCDRO CC(C)[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001753561871 1440437035 /nfs/dbraw/zinc/43/70/35/1440437035.db2.gz CIMSNTGBWGRSHZ-CQSZACIVSA-N 1 0 345.447 3.089 20 10 EGCDRO CC[C@@H](C)C[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001753845296 1440504197 /nfs/dbraw/zinc/50/41/97/1440504197.db2.gz JAMAEOAEONFGNZ-CJNGLKHVSA-N 1 0 347.463 3.239 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2ccccc2)cc1C ZINC001754138748 1440544035 /nfs/dbraw/zinc/54/40/35/1440544035.db2.gz KONWNQWNFZDMLU-VOTSOKGWSA-N 1 0 338.451 3.008 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CCCF)C2)cc1C ZINC001754797768 1440689924 /nfs/dbraw/zinc/68/99/24/1440689924.db2.gz SWYWTVAMILIJFO-RDJZCZTQSA-N 1 0 336.451 3.080 20 10 EGCDRO C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCCC1 ZINC001755617249 1440889326 /nfs/dbraw/zinc/88/93/26/1440889326.db2.gz ACTDJZFCDSQHMC-CYBMUJFWSA-N 1 0 345.447 3.089 20 10 EGCDRO Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1O ZINC000776175852 1126109440 /nfs/dbraw/zinc/10/94/40/1126109440.db2.gz VWMXMZXNKXORQG-NVXWUHKLSA-N 1 0 339.357 3.325 20 10 EGCDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cccc1[N+](=O)[O-] ZINC000264755200 455277074 /nfs/dbraw/zinc/27/70/74/455277074.db2.gz XROAOTCBPKZZBA-ZDUSSCGKSA-N 1 0 343.383 3.068 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(Cl)n1 ZINC000075611513 453911089 /nfs/dbraw/zinc/91/10/89/453911089.db2.gz PHZLSDTZPXROKA-UHFFFAOYSA-N 1 0 331.847 3.204 20 10 EGCDRO CCC[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1O ZINC000068973680 454070234 /nfs/dbraw/zinc/07/02/34/454070234.db2.gz FZCQECMYMQERPI-UHFFFAOYSA-N 1 0 344.480 3.251 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000130931400 454226803 /nfs/dbraw/zinc/22/68/03/454226803.db2.gz XQCCQYHNTXJVLL-GOSISDBHSA-N 1 0 326.444 3.484 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1O ZINC000184710454 455434551 /nfs/dbraw/zinc/43/45/51/455434551.db2.gz RXJHAGNLOWSVCU-UHFFFAOYSA-N 1 0 342.867 3.085 20 10 EGCDRO COCc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121303332 454417859 /nfs/dbraw/zinc/41/78/59/454417859.db2.gz PLJDVRHHERREDI-UHFFFAOYSA-N 1 0 340.467 3.302 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)ccc1OC(=O)C1CC1 ZINC000091956748 454494580 /nfs/dbraw/zinc/49/45/80/454494580.db2.gz DSNHOCZDFSDXPM-UHFFFAOYSA-N 1 0 341.407 3.348 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000184834998 455456580 /nfs/dbraw/zinc/45/65/80/455456580.db2.gz OSDZXUGVILEPCU-ACJLOTCBSA-N 1 0 332.419 3.493 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCn2cncn2)cc1 ZINC000065934405 454641011 /nfs/dbraw/zinc/64/10/11/454641011.db2.gz LIXBAWVVTLZTML-UHFFFAOYSA-N 1 0 335.455 3.094 20 10 EGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C)ccc1O ZINC000093084035 454680280 /nfs/dbraw/zinc/68/02/80/454680280.db2.gz GQSMACSDUSEHOT-UHFFFAOYSA-N 1 0 326.440 3.425 20 10 EGCDRO c1sc(CC[NH2+]Cc2ccc3c(c2)CCO3)nc1-c1ccccn1 ZINC000123930706 454688094 /nfs/dbraw/zinc/68/80/94/454688094.db2.gz KWYMRDZNYCFXSX-UHFFFAOYSA-N 1 0 337.448 3.472 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124186921 454703710 /nfs/dbraw/zinc/70/37/10/454703710.db2.gz CYNUTOHIWGDONA-INIZCTEOSA-N 1 0 340.471 3.398 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176640084 454766980 /nfs/dbraw/zinc/76/69/80/454766980.db2.gz FOTJYAYGLGXLCE-SJORKVTESA-N 1 0 333.476 3.187 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2O)N(C)C)c1 ZINC000176980365 454807272 /nfs/dbraw/zinc/80/72/72/454807272.db2.gz ZCGULYVWPAOIKV-FZKQIMNGSA-N 1 0 332.419 3.493 20 10 EGCDRO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000109771290 454835560 /nfs/dbraw/zinc/83/55/60/454835560.db2.gz OHZUNJVENCOLDF-KBPBESRZSA-N 1 0 330.403 3.229 20 10 EGCDRO COC[C@@H](C)n1c(C)cc(C(=O)CN(C)Cc2ccccc2O)c1C ZINC000111235724 454858748 /nfs/dbraw/zinc/85/87/48/454858748.db2.gz ZMPHALXMNMOTST-OAHLLOKOSA-N 1 0 344.455 3.333 20 10 EGCDRO COc1cccc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)c1O ZINC000154041454 454859751 /nfs/dbraw/zinc/85/97/51/454859751.db2.gz CMDUMBBPRLRZPI-UHFFFAOYSA-N 1 0 338.411 3.006 20 10 EGCDRO CCc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)o1 ZINC000177641438 454887257 /nfs/dbraw/zinc/88/72/57/454887257.db2.gz DHPQAZHPEJGTNQ-UVTDQMKNSA-N 1 0 336.482 3.137 20 10 EGCDRO Cc1csc(C2([NH2+]Cc3cc4c(cc3O)OCO4)CCCC2)n1 ZINC000112711128 454897087 /nfs/dbraw/zinc/89/70/87/454897087.db2.gz QLYHGIODZRUOKC-UHFFFAOYSA-N 1 0 332.425 3.445 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](CCO)CC(C)C)CC2)cc1 ZINC000154648048 454915544 /nfs/dbraw/zinc/91/55/44/454915544.db2.gz VYJMXSBTURVBSQ-KRWDZBQOSA-N 1 0 334.504 3.298 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)n1-c1cccc(C)c1 ZINC000113457627 454927293 /nfs/dbraw/zinc/92/72/93/454927293.db2.gz CQIJURKOJGDRPI-SFHVURJKSA-N 1 0 339.483 3.426 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1O ZINC000154969908 454949182 /nfs/dbraw/zinc/94/91/82/454949182.db2.gz FHMATTABJASYNM-QZTJIDSGSA-N 1 0 344.455 3.408 20 10 EGCDRO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151853861 455040233 /nfs/dbraw/zinc/04/02/33/455040233.db2.gz BTYCFKQAVKNVQR-IRXDYDNUSA-N 1 0 349.494 3.187 20 10 EGCDRO O=C(Oc1ccccc1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179567929 455059068 /nfs/dbraw/zinc/05/90/68/455059068.db2.gz FYATZFNQGBMWKA-UHFFFAOYSA-N 1 0 326.396 3.099 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171439550 455070787 /nfs/dbraw/zinc/07/07/87/455070787.db2.gz DKYVYSOBOMIDPL-INIZCTEOSA-N 1 0 343.496 3.466 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000179796129 455079918 /nfs/dbraw/zinc/07/99/18/455079918.db2.gz IKMSHIKBZCXIJD-UHFFFAOYSA-N 1 0 330.453 3.110 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000156141736 455086261 /nfs/dbraw/zinc/08/62/61/455086261.db2.gz SQEQLGKRPRQBCB-RDJZCZTQSA-N 1 0 325.456 3.294 20 10 EGCDRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179891201 455095046 /nfs/dbraw/zinc/09/50/46/455095046.db2.gz ATKYUDOFHFIQKO-UHFFFAOYSA-N 1 0 344.386 3.088 20 10 EGCDRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179984134 455110663 /nfs/dbraw/zinc/11/06/63/455110663.db2.gz LWJJOSKCIBLZOO-UHFFFAOYSA-N 1 0 343.402 3.317 20 10 EGCDRO CCOC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130088736 455142223 /nfs/dbraw/zinc/14/22/23/455142223.db2.gz DXTJJBQOPQGENK-KBPBESRZSA-N 1 0 328.403 3.271 20 10 EGCDRO COc1cccc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000189488809 455205400 /nfs/dbraw/zinc/20/54/00/455205400.db2.gz KNGDIYKOYIBUKL-UHFFFAOYSA-N 1 0 348.443 3.058 20 10 EGCDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccccc1O ZINC000183378710 455285071 /nfs/dbraw/zinc/28/50/71/455285071.db2.gz PQQIXLZHHUOQTN-GOEBONIOSA-N 1 0 332.469 3.178 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cccc2nccn21)C[C@H]1CCCO1 ZINC000183513081 455301685 /nfs/dbraw/zinc/30/16/85/455301685.db2.gz LJSUMGRVUOCITM-GOSISDBHSA-N 1 0 337.423 3.221 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC000245637635 455345452 /nfs/dbraw/zinc/34/54/52/455345452.db2.gz CKIAYLIRBAMINM-SWLSCSKDSA-N 1 0 340.261 3.464 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@]3(C)CCCC[C@@H]3O)CC2)cc1 ZINC000159198976 455360582 /nfs/dbraw/zinc/36/05/82/455360582.db2.gz XMNAIUHDZUGRNG-PMACEKPBSA-N 1 0 332.488 3.195 20 10 EGCDRO COc1cccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1O ZINC000184248403 455365529 /nfs/dbraw/zinc/36/55/29/455365529.db2.gz VFRAIOSSQHBDFV-SFHVURJKSA-N 1 0 327.424 3.234 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cccnc1-n1cccn1 ZINC000190750309 455377779 /nfs/dbraw/zinc/37/77/79/455377779.db2.gz MLPLQJRVYPWIAA-UHFFFAOYSA-N 1 0 332.766 3.055 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1C ZINC000174381579 455384370 /nfs/dbraw/zinc/38/43/70/455384370.db2.gz JIFITZKGEBMFFA-UHFFFAOYSA-N 1 0 338.451 3.421 20 10 EGCDRO COc1cc(Cl)cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000184698980 455430421 /nfs/dbraw/zinc/43/04/21/455430421.db2.gz LZNGIQYXZRTLHW-CQSZACIVSA-N 1 0 338.879 3.362 20 10 EGCDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000184950706 455477928 /nfs/dbraw/zinc/47/79/28/455477928.db2.gz RFPNWQUHCMTSSP-NSHDSACASA-N 1 0 326.824 3.317 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cc(F)ccc1O ZINC000185033618 455488536 /nfs/dbraw/zinc/48/85/36/455488536.db2.gz QFZYJPPFLGOWSR-KBPBESRZSA-N 1 0 345.418 3.002 20 10 EGCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc(Br)ccc1O ZINC000185122002 455505883 /nfs/dbraw/zinc/50/58/83/455505883.db2.gz KNAWFDPDMVQYPT-PZDALLCQSA-N 1 0 348.240 3.464 20 10 EGCDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000185186590 455517878 /nfs/dbraw/zinc/51/78/78/455517878.db2.gz NQPNCCRXZHZKFS-CYBMUJFWSA-N 1 0 331.412 3.311 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1O ZINC000185208857 455521896 /nfs/dbraw/zinc/52/18/96/455521896.db2.gz ZYYKABASTPBVGX-HXUWFJFHSA-N 1 0 340.467 3.465 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442518 455559069 /nfs/dbraw/zinc/55/90/69/455559069.db2.gz ZHBZQHXYLXDUDY-CHWSQXEVSA-N 1 0 336.432 3.061 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000186303432 455738222 /nfs/dbraw/zinc/73/82/22/455738222.db2.gz SCEPVJKHWRBXMG-PKOBYXMFSA-N 1 0 338.451 3.482 20 10 EGCDRO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccccc2O)C1=O ZINC000292969367 455768927 /nfs/dbraw/zinc/76/89/27/455768927.db2.gz KEXCFAIKXVDILE-KSSFIOAISA-N 1 0 342.414 3.373 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1C ZINC000293007543 455769652 /nfs/dbraw/zinc/76/96/52/455769652.db2.gz PKIMKQHCGIUAKX-UHFFFAOYSA-N 1 0 326.440 3.130 20 10 EGCDRO COC[C@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293267641 455780195 /nfs/dbraw/zinc/78/01/95/455780195.db2.gz CFIXYZQKZLSTKL-PKOBYXMFSA-N 1 0 329.440 3.053 20 10 EGCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000186529054 455786983 /nfs/dbraw/zinc/78/69/83/455786983.db2.gz NMDVCLUFFDAKBL-DCKQQPRJSA-N 1 0 327.424 3.388 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1OC ZINC000271854526 455788071 /nfs/dbraw/zinc/78/80/71/455788071.db2.gz UNCGOJOJWQASDU-HNNXBMFYSA-N 1 0 335.444 3.381 20 10 EGCDRO CC[N@H+](Cc1conc1C)Cc1cc(Br)ccc1O ZINC000293777468 455797181 /nfs/dbraw/zinc/79/71/81/455797181.db2.gz AURRSUFTLMDBLI-UHFFFAOYSA-N 1 0 325.206 3.473 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)ccc1N(C)C ZINC000294228231 455808872 /nfs/dbraw/zinc/80/88/72/455808872.db2.gz SRNLLDPHIJRONI-LJQANCHMSA-N 1 0 325.456 3.247 20 10 EGCDRO OC[C@@H]1CC[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)O1 ZINC000294355325 455812462 /nfs/dbraw/zinc/81/24/62/455812462.db2.gz QACPZVAWUZRKNT-HBFSDRIKSA-N 1 0 341.451 3.196 20 10 EGCDRO CCCOc1ccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c(O)c1 ZINC000294730844 455824887 /nfs/dbraw/zinc/82/48/87/455824887.db2.gz DIDGNKPNWAQFCI-UHFFFAOYSA-N 1 0 334.460 3.062 20 10 EGCDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294877233 455830943 /nfs/dbraw/zinc/83/09/43/455830943.db2.gz FHUWFIRCBIETQY-NHCUHLMSSA-N 1 0 346.515 3.427 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cc(Br)ccc1O ZINC000253039210 455831542 /nfs/dbraw/zinc/83/15/42/455831542.db2.gz ZTCJCNUBDGEGIT-KRDDEPHXSA-N 1 0 348.306 3.353 20 10 EGCDRO COC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCCO1 ZINC000278548539 455840241 /nfs/dbraw/zinc/84/02/41/455840241.db2.gz BFMWBZVRBPXJMV-ICSRJNTNSA-N 1 0 327.424 3.343 20 10 EGCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000278815672 455849098 /nfs/dbraw/zinc/84/90/98/455849098.db2.gz SDUCFAKWZWBWRX-SFHVURJKSA-N 1 0 343.515 3.192 20 10 EGCDRO COc1cccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1O ZINC000278875945 455851058 /nfs/dbraw/zinc/85/10/58/455851058.db2.gz ZAFDWMSBTZUYKQ-AWEZNQCLSA-N 1 0 325.767 3.017 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)N(C)C)c1 ZINC000295901203 455862464 /nfs/dbraw/zinc/86/24/64/455862464.db2.gz IQNNFBDXYKGCDC-QZTJIDSGSA-N 1 0 326.440 3.281 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2)CC1 ZINC000296031275 455867177 /nfs/dbraw/zinc/86/71/77/455867177.db2.gz PEIBGVVSPXZZCU-KKSFZXQISA-N 1 0 344.499 3.301 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000270208056 455902782 /nfs/dbraw/zinc/90/27/82/455902782.db2.gz ZTZCXMFNPTWWSD-ZAMGYDSWSA-N 1 0 333.453 3.379 20 10 EGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000280164525 455906881 /nfs/dbraw/zinc/90/68/81/455906881.db2.gz BEDQIWRZXRXJTM-OALUTQOASA-N 1 0 334.504 3.048 20 10 EGCDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280176693 455908479 /nfs/dbraw/zinc/90/84/79/455908479.db2.gz GLRMYMNKOOUKAS-UHFFFAOYSA-N 1 0 345.409 3.023 20 10 EGCDRO C[N@H+](CC[C@@H](O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000286152643 455989346 /nfs/dbraw/zinc/98/93/46/455989346.db2.gz XMXHEBBJDXLSET-OAQYLSRUSA-N 1 0 340.467 3.079 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccn(C)c3)cc2F)C[C@@H](C)O1 ZINC000270623854 455998694 /nfs/dbraw/zinc/99/86/94/455998694.db2.gz KQGPVVPZZJCFEY-HUUCEWRRSA-N 1 0 331.435 3.068 20 10 EGCDRO CC[C@H](c1ccc(C)cc1O)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296648802 456000897 /nfs/dbraw/zinc/00/08/97/456000897.db2.gz YRFLYOOAZVKUIH-LZLYRXPVSA-N 1 0 338.451 3.433 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)c(C(F)(F)F)c1 ZINC000280665971 456026036 /nfs/dbraw/zinc/02/60/36/456026036.db2.gz CAVISPNTKYNSKM-MRXNPFEDSA-N 1 0 342.361 3.362 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1F ZINC000272738986 456056457 /nfs/dbraw/zinc/05/64/57/456056457.db2.gz IEDFFOZUHKSRCO-UZUQRXQVSA-N 1 0 334.460 3.101 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C3CC3)cc2F)CC1 ZINC000287518510 456071256 /nfs/dbraw/zinc/07/12/56/456071256.db2.gz IPLBZOZVOOAARF-UHFFFAOYSA-N 1 0 347.478 3.020 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000287584806 456071927 /nfs/dbraw/zinc/07/19/27/456071927.db2.gz RFCUJJJMCWXOQY-AWEZNQCLSA-N 1 0 338.407 3.038 20 10 EGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c(F)cn1 ZINC000287794220 456079086 /nfs/dbraw/zinc/07/90/86/456079086.db2.gz SZXLZFOQHDWUPU-ZDUSSCGKSA-N 1 0 329.419 3.463 20 10 EGCDRO C[C@@H](CCOCc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000288479207 456097480 /nfs/dbraw/zinc/09/74/80/456097480.db2.gz PQQDJQIFVVCIHD-AWEZNQCLSA-N 1 0 329.396 3.206 20 10 EGCDRO COCCOCc1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000289161678 456115759 /nfs/dbraw/zinc/11/57/59/456115759.db2.gz ALAQWQKZUIKRSS-UHFFFAOYSA-N 1 0 329.440 3.456 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)c1O ZINC000289184870 456117783 /nfs/dbraw/zinc/11/77/83/456117783.db2.gz AWBBOEPGRUNWFW-UHFFFAOYSA-N 1 0 329.444 3.472 20 10 EGCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Br)ccc4O)[C@H]1[C@H]3C2 ZINC000289233023 456119530 /nfs/dbraw/zinc/11/95/30/456119530.db2.gz DDNLKLJXTKGLMK-VSGLDEAGSA-N 1 0 338.245 3.010 20 10 EGCDRO CC[C@H]([NH2+]CCOCC(F)F)c1cc(Br)ccc1O ZINC000188743295 456127355 /nfs/dbraw/zinc/12/73/55/456127355.db2.gz FMAKBZJBMVIUOH-NSHDSACASA-N 1 0 338.192 3.477 20 10 EGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2cccc(F)c2)c1O ZINC000289501875 456127580 /nfs/dbraw/zinc/12/75/80/456127580.db2.gz SXHGVIVFAIFMLA-UHFFFAOYSA-N 1 0 332.419 3.104 20 10 EGCDRO CCOC1CC(CC[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000188779320 456135812 /nfs/dbraw/zinc/13/58/12/456135812.db2.gz SHUYTKWWLMWIRF-UHFFFAOYSA-N 1 0 328.250 3.450 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000289839572 456150868 /nfs/dbraw/zinc/15/08/68/456150868.db2.gz NCLPYGNSPZFOCK-XLIONFOSSA-N 1 0 327.424 3.047 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000273049482 456159526 /nfs/dbraw/zinc/15/95/26/456159526.db2.gz YDTNPEIPYDDVEB-APXPCNQMSA-N 1 0 349.427 3.322 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000271229743 456183286 /nfs/dbraw/zinc/18/32/86/456183286.db2.gz TXYJOCOIEZAOMQ-AWEZNQCLSA-N 1 0 329.400 3.041 20 10 EGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000273166450 456197699 /nfs/dbraw/zinc/19/76/99/456197699.db2.gz DCJFVTRRNZJWJB-NVXWUHKLSA-N 1 0 348.487 3.067 20 10 EGCDRO COC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000297402845 456210642 /nfs/dbraw/zinc/21/06/42/456210642.db2.gz SPJTYPQEQMQONV-OAHLLOKOSA-N 1 0 336.451 3.272 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(N2CCCCC2)cc1 ZINC000297405882 456211968 /nfs/dbraw/zinc/21/19/68/456211968.db2.gz SWRLXEIEPACMKY-AZUAARDMSA-N 1 0 345.531 3.174 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400961 456228715 /nfs/dbraw/zinc/22/87/15/456228715.db2.gz NDSKMUOWGNKDRE-ZDUSSCGKSA-N 1 0 329.400 3.213 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)c1 ZINC000273432170 456229618 /nfs/dbraw/zinc/22/96/18/456229618.db2.gz VWNFCHYOMKTDAJ-GFCCVEGCSA-N 1 0 347.411 3.277 20 10 EGCDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(Br)cc1O ZINC000273467830 456233294 /nfs/dbraw/zinc/23/32/94/456233294.db2.gz JFXKTDDGBOEMOQ-RDDDGLTNSA-N 1 0 342.155 3.119 20 10 EGCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000282134535 456421755 /nfs/dbraw/zinc/42/17/55/456421755.db2.gz KFXLTYBTLYZRRU-CTNGQTDRSA-N 1 0 346.515 3.190 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]2C1 ZINC000290980363 456485892 /nfs/dbraw/zinc/48/58/92/456485892.db2.gz UAOYXIYKSGOKPU-ZBFHGGJFSA-N 1 0 332.444 3.081 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1O ZINC000282411599 456505919 /nfs/dbraw/zinc/50/59/19/456505919.db2.gz SEPVNASGEKMOCQ-IBGZPJMESA-N 1 0 347.842 3.368 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCOCC(F)F)c1O ZINC000276618022 456532299 /nfs/dbraw/zinc/53/22/99/456532299.db2.gz HPNQZHHCNHRWKW-VIFPVBQESA-N 1 0 338.192 3.395 20 10 EGCDRO CCCC[N@H+](CC(=O)N(C)Cc1ccco1)Cc1ccccc1O ZINC000282512722 456537794 /nfs/dbraw/zinc/53/77/94/456537794.db2.gz SDFQWIYYSGGXGN-UHFFFAOYSA-N 1 0 330.428 3.246 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@]2(CO)CCc3ccccc32)c1O ZINC000305712350 456551392 /nfs/dbraw/zinc/55/13/92/456551392.db2.gz FUFMMGGMXBGJKE-IBGZPJMESA-N 1 0 345.826 3.172 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000348663822 456806682 /nfs/dbraw/zinc/80/66/82/456806682.db2.gz FWSXTKAXHRBXCM-UHFFFAOYSA-N 1 0 335.451 3.478 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1O ZINC000363934734 457464314 /nfs/dbraw/zinc/46/43/14/457464314.db2.gz WFBZHGHCLLCKGB-LBPRGKRZSA-N 1 0 335.835 3.167 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000374612114 457672608 /nfs/dbraw/zinc/67/26/08/457672608.db2.gz NNXXWXOTNMHZQB-FQEVSTJZSA-N 1 0 337.423 3.404 20 10 EGCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000367721966 457976010 /nfs/dbraw/zinc/97/60/10/457976010.db2.gz ASQJMHPQGMBNKU-IBGZPJMESA-N 1 0 340.471 3.200 20 10 EGCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1O ZINC000362388939 458145697 /nfs/dbraw/zinc/14/56/97/458145697.db2.gz JMBKYZBMDYTTJI-HKUYNNGSSA-N 1 0 327.424 3.489 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000377783410 458526194 /nfs/dbraw/zinc/52/61/94/458526194.db2.gz RKMRPZXSUZDSMD-GOSISDBHSA-N 1 0 333.453 3.430 20 10 EGCDRO CCCC[N@H+](C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471922254 458751377 /nfs/dbraw/zinc/75/13/77/458751377.db2.gz UZVFLKYJHFFRJB-UHFFFAOYSA-N 1 0 330.476 3.018 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000527467490 459644360 /nfs/dbraw/zinc/64/43/60/459644360.db2.gz JJNPSJYUHCRXJI-INIZCTEOSA-N 1 0 342.487 3.016 20 10 EGCDRO Cc1ccc(/C=C\C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)cn1 ZINC000492522465 459709066 /nfs/dbraw/zinc/70/90/66/459709066.db2.gz UFZCCXPZZUSVGI-FPLPWBNLSA-N 1 0 336.370 3.499 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)[C@H](O)C(C)C)CC2)cc1 ZINC000378403649 547818722 /nfs/dbraw/zinc/81/87/22/547818722.db2.gz NVJJZJQAOCHRRX-LJQANCHMSA-N 1 0 334.504 3.297 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC[N@H+](CC)C(C)C)cc1 ZINC000726714383 574567634 /nfs/dbraw/zinc/56/76/34/574567634.db2.gz QPDQJUWLIFSWTP-UHFFFAOYSA-N 1 0 348.535 3.405 20 10 EGCDRO C[C@H]([NH2+]Cc1cnc2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000727644684 574680225 /nfs/dbraw/zinc/68/02/25/574680225.db2.gz QBWZNOHUPXPHFH-INIZCTEOSA-N 1 0 348.450 3.317 20 10 EGCDRO CCC[C@H](C)CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730194503 574940719 /nfs/dbraw/zinc/94/07/19/574940719.db2.gz JQCJSWMYGZDJNO-INIZCTEOSA-N 1 0 349.494 3.410 20 10 EGCDRO CN(C)c1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC000732257786 575253568 /nfs/dbraw/zinc/25/35/68/575253568.db2.gz BSOFFDPIRLCGKB-GOSISDBHSA-N 1 0 345.874 3.325 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000733323139 575327484 /nfs/dbraw/zinc/32/74/84/575327484.db2.gz KFKWELJHRVJDGV-UHFFFAOYSA-N 1 0 338.879 3.170 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cscn2)ccc1N1CCCCC1 ZINC000736355037 575942153 /nfs/dbraw/zinc/94/21/53/575942153.db2.gz CODZOBRLYYFJEY-UHFFFAOYSA-N 1 0 346.456 3.374 20 10 EGCDRO C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000736591823 575988017 /nfs/dbraw/zinc/98/80/17/575988017.db2.gz BAKNQDHKOXVYBC-FPJCUDJDSA-N 1 0 347.480 3.359 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000741753169 576717069 /nfs/dbraw/zinc/71/70/69/576717069.db2.gz 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CCOc1ccc(C[N@@H+]2CCc3c(cccc3C(=O)OC)C2)c(O)c1 ZINC000835070780 1293199804 /nfs/dbraw/zinc/19/98/04/1293199804.db2.gz WNHPSJNOGXMDKF-UHFFFAOYSA-N 1 0 341.407 3.136 20 10 EGCDRO CCCCOC(=O)[C@@H](C)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119488615 1293273247 /nfs/dbraw/zinc/27/32/47/1293273247.db2.gz COWAMRWNENUPER-WBVHZDCISA-N 1 0 335.444 3.105 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1O ZINC000121103300 1293355291 /nfs/dbraw/zinc/35/52/91/1293355291.db2.gz BNUVGTZLHYRCEN-GFCCVEGCSA-N 1 0 338.329 3.489 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](CCO)Cc2ccccc2)c1O ZINC000122142490 1293402223 /nfs/dbraw/zinc/40/22/23/1293402223.db2.gz KQRHMQTXPGFNRH-UHFFFAOYSA-N 1 0 333.815 3.243 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000122801716 1293425511 /nfs/dbraw/zinc/42/55/11/1293425511.db2.gz CHSZGRMSOGYZAQ-INIZCTEOSA-N 1 0 335.455 3.493 20 10 EGCDRO Fc1cccc2c1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000123798659 1293455405 /nfs/dbraw/zinc/45/54/05/1293455405.db2.gz NDJRTLBBSCLZIN-UHFFFAOYSA-N 1 0 326.415 3.221 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000129078765 1293613153 /nfs/dbraw/zinc/61/31/53/1293613153.db2.gz WSXSMGYLIKWRPA-MRXNPFEDSA-N 1 0 345.443 3.210 20 10 EGCDRO C[C@H]1CCC[C@](CNC(=O)N(C)Cc2ccccc2O)([NH+](C)C)C1 ZINC000131780381 1293700770 /nfs/dbraw/zinc/70/07/70/1293700770.db2.gz DYBPULITEGUNEJ-KXBFYZLASA-N 1 0 333.476 3.044 20 10 EGCDRO C[N@H+](CCc1ccc(F)c(F)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000151900136 1293944394 /nfs/dbraw/zinc/94/43/94/1293944394.db2.gz JBXPTJGLLLWETK-UHFFFAOYSA-N 1 0 346.421 3.476 20 10 EGCDRO COC[C@@H](O)CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000153735783 1294026105 /nfs/dbraw/zinc/02/61/05/1294026105.db2.gz ZDVXMAUPMGMZQZ-INIZCTEOSA-N 1 0 337.504 3.474 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000157809665 1294187942 /nfs/dbraw/zinc/18/79/42/1294187942.db2.gz XXDFEWBKQUQGRA-OAHLLOKOSA-N 1 0 325.456 3.006 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000163939791 1294341832 /nfs/dbraw/zinc/34/18/32/1294341832.db2.gz MPYIKEHMNSLIOT-UHFFFAOYSA-N 1 0 342.414 3.106 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000164461234 1294349089 /nfs/dbraw/zinc/34/90/89/1294349089.db2.gz MTBCDIVRKOWLMM-HSZRJFAPSA-N 1 0 333.453 3.079 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000177944729 1294705102 /nfs/dbraw/zinc/70/51/02/1294705102.db2.gz PKCLVAZMWAGCCI-OXQOHEQNSA-N 1 0 339.483 3.498 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000178712475 1294751360 /nfs/dbraw/zinc/75/13/60/1294751360.db2.gz XINUQMYKIVRDSF-INIZCTEOSA-N 1 0 331.504 3.175 20 10 EGCDRO COc1ccc(O)c(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000180703923 1294908291 /nfs/dbraw/zinc/90/82/91/1294908291.db2.gz ISAYCLVBLSFTKZ-SFHVURJKSA-N 1 0 327.424 3.234 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2C)c1 ZINC000182344759 1295037268 /nfs/dbraw/zinc/03/72/68/1295037268.db2.gz FQDMCYBDZPRHPX-AWEZNQCLSA-N 1 0 328.412 3.307 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2cc(C)cc(C)c2)c1 ZINC000182407819 1295043409 /nfs/dbraw/zinc/04/34/09/1295043409.db2.gz YHHGOEKBUQEQBN-CVEARBPZSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)C(=O)O2)c1 ZINC000182465972 1295049826 /nfs/dbraw/zinc/04/98/26/1295049826.db2.gz HXOCLHMMLZOUNT-XJKSGUPXSA-N 1 0 342.395 3.077 20 10 EGCDRO COc1ccc(CN2CCC[N@H+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000183290402 1295109493 /nfs/dbraw/zinc/10/94/93/1295109493.db2.gz VVGYOYMUKLQCNZ-UHFFFAOYSA-N 1 0 344.430 3.248 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccc1O ZINC000183555209 1295130467 /nfs/dbraw/zinc/13/04/67/1295130467.db2.gz WTEZKYZVBCPZBP-FUHWJXTLSA-N 1 0 338.451 3.277 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000184028124 1295166262 /nfs/dbraw/zinc/16/62/62/1295166262.db2.gz OWIVOGQWNYCMNX-OAHLLOKOSA-N 1 0 330.451 3.443 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000184280418 1295184064 /nfs/dbraw/zinc/18/40/64/1295184064.db2.gz XSVHGAJTYPQFLO-UHFFFAOYSA-N 1 0 327.403 3.220 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000184865102 1295224731 /nfs/dbraw/zinc/22/47/31/1295224731.db2.gz WYHXTWGCNKNHAH-JTQLQIEISA-N 1 0 338.329 3.407 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1 ZINC000184981704 1295234178 /nfs/dbraw/zinc/23/41/78/1295234178.db2.gz ZZIQRCPSRQBIGZ-AWEZNQCLSA-N 1 0 330.403 3.229 20 10 EGCDRO C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1O ZINC000185534117 1295269061 /nfs/dbraw/zinc/26/90/61/1295269061.db2.gz OZASRWAHEYELSM-IAQYHMDHSA-N 1 0 338.423 3.485 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185966361 1295296130 /nfs/dbraw/zinc/29/61/30/1295296130.db2.gz WKIHOIFRASEKRW-CQSZACIVSA-N 1 0 328.412 3.389 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000186749178 1295348260 /nfs/dbraw/zinc/34/82/60/1295348260.db2.gz CDQXGKMGSQABRJ-UHFFFAOYSA-N 1 0 337.467 3.294 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)ccc1OC ZINC000195264316 1296053805 /nfs/dbraw/zinc/05/38/05/1296053805.db2.gz BJEITRPRPKVIFC-KRWDZBQOSA-N 1 0 332.444 3.217 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc2c(c1)c(C)nn2C ZINC000195430516 1296066232 /nfs/dbraw/zinc/06/62/32/1296066232.db2.gz MINYBDVCNVHBHX-UHFFFAOYSA-N 1 0 337.471 3.365 20 10 EGCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)NCC1CC1)Cc1ccccc1O ZINC000195527391 1296074408 /nfs/dbraw/zinc/07/44/08/1296074408.db2.gz IZPUFTBXYKJPMN-INIZCTEOSA-N 1 0 338.451 3.482 20 10 EGCDRO OCC1(C[NH2+]Cc2cc(Br)ccc2O)CCCCC1 ZINC000227602839 1296144644 /nfs/dbraw/zinc/14/46/44/1296144644.db2.gz XJOUGHFVNBJOSI-UHFFFAOYSA-N 1 0 328.250 3.187 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)C3(C[NH3+])CCCC3)cc2)CC1 ZINC000236672417 1296195431 /nfs/dbraw/zinc/19/54/31/1296195431.db2.gz VUUDYRCLAOBWTF-UHFFFAOYSA-N 1 0 329.488 3.058 20 10 EGCDRO CCOc1cccc(C[NH2+]C2(C(=O)N(CC)CC)CCCCC2)c1O ZINC000236920567 1296211729 /nfs/dbraw/zinc/21/17/29/1296211729.db2.gz BTZYWYCVXDUXJU-UHFFFAOYSA-N 1 0 348.487 3.452 20 10 EGCDRO CCn1nc(C)c(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c1C ZINC000237029993 1296217142 /nfs/dbraw/zinc/21/71/42/1296217142.db2.gz ATUGKBMUJPREON-UHFFFAOYSA-N 1 0 342.487 3.287 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000237770796 1296263223 /nfs/dbraw/zinc/26/32/23/1296263223.db2.gz HNVDQAVDSXJLHE-QGZVFWFLSA-N 1 0 331.847 3.215 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000872138685 1296764295 /nfs/dbraw/zinc/76/42/95/1296764295.db2.gz XXCGDLQHFKZCJO-LRDNONRASA-N 1 0 345.439 3.491 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000305567588 1297016300 /nfs/dbraw/zinc/01/63/00/1297016300.db2.gz DAMUPANJQURUQM-OCCSQVGLSA-N 1 0 332.444 3.458 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000310079227 1297089660 /nfs/dbraw/zinc/08/96/60/1297089660.db2.gz SHKDWJLPIJDYHP-PNESKVBLSA-N 1 0 336.432 3.107 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000325070712 1297219029 /nfs/dbraw/zinc/21/90/29/1297219029.db2.gz XEUCUBKCAFDFBQ-CZUORRHYSA-N 1 0 328.456 3.240 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1Cn1cccn1 ZINC000873102449 1297272675 /nfs/dbraw/zinc/27/26/75/1297272675.db2.gz PTUTUIIHLSNCFN-AWEZNQCLSA-N 1 0 340.402 3.325 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCSC2)cc1Cn1cccn1 ZINC000873127609 1297283522 /nfs/dbraw/zinc/28/35/22/1297283522.db2.gz VETZFTPLSGYOPK-MRXNPFEDSA-N 1 0 331.485 3.173 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Br)cc(Cl)c1[O-] ZINC000873249313 1297389391 /nfs/dbraw/zinc/38/93/91/1297389391.db2.gz KRPIZDBHEPKMCT-MRTMQBJTSA-N 1 0 333.657 3.196 20 10 EGCDRO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000385717434 1297585922 /nfs/dbraw/zinc/58/59/22/1297585922.db2.gz IMKWDXVSWFUDJB-KRWDZBQOSA-N 1 0 338.455 3.303 20 10 EGCDRO Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C[NH+](C)C)c1 ZINC000588404607 1298058065 /nfs/dbraw/zinc/05/80/65/1298058065.db2.gz KEWIQGZROSPYBO-TWGQIWQCSA-N 1 0 326.396 3.120 20 10 EGCDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1c(O)cccc1Cl ZINC000697924081 1298165175 /nfs/dbraw/zinc/16/51/75/1298165175.db2.gz CFZWKZAFCOSUAU-LLVKDONJSA-N 1 0 328.840 3.296 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Br)ccc1O ZINC000717825591 1298302121 /nfs/dbraw/zinc/30/21/21/1298302121.db2.gz ACQKIKDUFNDGBF-MWLCHTKSSA-N 1 0 338.192 3.212 20 10 EGCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000746172100 1298548019 /nfs/dbraw/zinc/54/80/19/1298548019.db2.gz GDMVTGXBMUWUAJ-CALCHBBNSA-N 1 0 329.488 3.166 20 10 EGCDRO COCC[NH+](CCOC)Cc1cc2oc3ccccc3c2cc1O ZINC000747448165 1298781644 /nfs/dbraw/zinc/78/16/44/1298781644.db2.gz CHNKMGHWSOOGQL-UHFFFAOYSA-N 1 0 329.396 3.386 20 10 EGCDRO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3O)CC2)c1 ZINC000876568831 1298834690 /nfs/dbraw/zinc/83/46/90/1298834690.db2.gz LXZNUCKNPUWRKC-UHFFFAOYSA-N 1 0 338.451 3.357 20 10 EGCDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000876689837 1298923446 /nfs/dbraw/zinc/92/34/46/1298923446.db2.gz CFIGUPAXQMNPLN-HNNXBMFYSA-N 1 0 334.460 3.389 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000876970654 1299096005 /nfs/dbraw/zinc/09/60/05/1299096005.db2.gz WMOKPZPVLPCGCA-LJQANCHMSA-N 1 0 340.423 3.108 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2OCCCCO)cc1F ZINC000876989369 1299101607 /nfs/dbraw/zinc/10/16/07/1299101607.db2.gz UMPUQFUQOWPWNC-UHFFFAOYSA-N 1 0 346.446 3.333 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000876987509 1299102599 /nfs/dbraw/zinc/10/25/99/1299102599.db2.gz YTZSTOVETLLMJR-INIZCTEOSA-N 1 0 326.440 3.388 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)C2CCOCC2)cc1F ZINC000877027333 1299119631 /nfs/dbraw/zinc/11/96/31/1299119631.db2.gz MWRMLZGBMXXMGP-LJQANCHMSA-N 1 0 338.467 3.203 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000749926859 1299301437 /nfs/dbraw/zinc/30/14/37/1299301437.db2.gz OSRWXNHVGJMPQB-MRXNPFEDSA-N 1 0 330.815 3.249 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1C ZINC000749973245 1299316931 /nfs/dbraw/zinc/31/69/31/1299316931.db2.gz RYVREWMZSPIARW-MRXNPFEDSA-N 1 0 334.460 3.450 20 10 EGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1(Cl)Cl ZINC000877565159 1299402415 /nfs/dbraw/zinc/40/24/15/1299402415.db2.gz UHJQCUQUBKPOGD-MRXNPFEDSA-N 1 0 343.298 3.321 20 10 EGCDRO CC1(c2ccccc2)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877646906 1299452832 /nfs/dbraw/zinc/45/28/32/1299452832.db2.gz MWTJJFXFVRKRKZ-UHFFFAOYSA-N 1 0 336.479 3.421 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000877730715 1299509034 /nfs/dbraw/zinc/50/90/34/1299509034.db2.gz GKOAQAXXZRMAFJ-JCNLHEQBSA-N 1 0 347.503 3.454 20 10 EGCDRO CC(C)(O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000877752946 1299526816 /nfs/dbraw/zinc/52/68/16/1299526816.db2.gz ZGNSADQZMGVIMG-UHFFFAOYSA-N 1 0 328.250 3.138 20 10 EGCDRO Cc1c(C[NH2+][C@H](C)c2ccccc2O)c(=O)n(-c2ccccc2)n1C ZINC000877756347 1299532632 /nfs/dbraw/zinc/53/26/32/1299532632.db2.gz ICZXMQIPGNBIAJ-CQSZACIVSA-N 1 0 337.423 3.041 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCO[C@H]1C ZINC000878154606 1299783396 /nfs/dbraw/zinc/78/33/96/1299783396.db2.gz ZPCYCCLWFLEVRJ-RYUDHWBXSA-N 1 0 328.250 3.402 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1O ZINC000753550145 1299971951 /nfs/dbraw/zinc/97/19/51/1299971951.db2.gz URQZWVAYHRRYAK-UZLBHIALSA-N 1 0 327.424 3.174 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCO1 ZINC000753660660 1300001361 /nfs/dbraw/zinc/00/13/61/1300001361.db2.gz AMQVKDRFWUADDN-OWQGQXMQSA-N 1 0 338.879 3.167 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc1F ZINC000754014003 1300065462 /nfs/dbraw/zinc/06/54/62/1300065462.db2.gz PQOJTKZWNKJBNO-UHFFFAOYSA-N 1 0 344.430 3.479 20 10 EGCDRO CCC1CCC([N@H+](CCO)Cc2cc(OC)c(OC)cc2O)CC1 ZINC000754153334 1300095974 /nfs/dbraw/zinc/09/59/74/1300095974.db2.gz FRUOFXGUBPPDOG-UHFFFAOYSA-N 1 0 337.460 3.173 20 10 EGCDRO CC(C)CN1CCO[C@H](C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000756355716 1300474324 /nfs/dbraw/zinc/47/43/24/1300474324.db2.gz RISJMVIKXSZOCO-VQIMIIECSA-N 1 0 346.515 3.278 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000756381088 1300480401 /nfs/dbraw/zinc/48/04/01/1300480401.db2.gz WQKLTZOYTFZXBA-AWEZNQCLSA-N 1 0 342.439 3.091 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000756400017 1300484038 /nfs/dbraw/zinc/48/40/38/1300484038.db2.gz SZRVPJCNSZDYOR-AWEZNQCLSA-N 1 0 342.483 3.323 20 10 EGCDRO C[C@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1cc(F)ccc1O ZINC000756398315 1300484428 /nfs/dbraw/zinc/48/44/28/1300484428.db2.gz UXWXWEJUSWCIHC-INIZCTEOSA-N 1 0 343.446 3.004 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756456626 1300496147 /nfs/dbraw/zinc/49/61/47/1300496147.db2.gz DZPVQBLZVWWKEA-MRXNPFEDSA-N 1 0 326.440 3.398 20 10 EGCDRO C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(Cl)ccc1O ZINC000756541169 1300517802 /nfs/dbraw/zinc/51/78/02/1300517802.db2.gz CTAWSQFSOFJAQG-AWEZNQCLSA-N 1 0 338.879 3.341 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1[O-] ZINC000756549282 1300520068 /nfs/dbraw/zinc/52/00/68/1300520068.db2.gz NEEFUTQWHURLLW-OAHLLOKOSA-N 1 0 346.446 3.365 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756604122 1300529196 /nfs/dbraw/zinc/52/91/96/1300529196.db2.gz LRHABCKJLYBDOJ-BLLLJJGKSA-N 1 0 342.414 3.272 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2c1c(F)ccc2O ZINC000756645347 1300539971 /nfs/dbraw/zinc/53/99/71/1300539971.db2.gz IWWFUEMVNWGIHP-JMSVASOKSA-N 1 0 345.393 3.482 20 10 EGCDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)ccc1O ZINC000756687442 1300547741 /nfs/dbraw/zinc/54/77/41/1300547741.db2.gz WGAIDWFPCZASCB-JTQLQIEISA-N 1 0 343.265 3.110 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c(O)c1C ZINC000756757342 1300561063 /nfs/dbraw/zinc/56/10/63/1300561063.db2.gz MQANEZYQGJCSKX-CQSZACIVSA-N 1 0 345.464 3.190 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc2ccccc2c1O ZINC000757653573 1300704820 /nfs/dbraw/zinc/70/48/20/1300704820.db2.gz JRMGFEKWAZNSHF-DZGCQCFKSA-N 1 0 333.453 3.163 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000757659130 1300706375 /nfs/dbraw/zinc/70/63/75/1300706375.db2.gz WSJRMIBAIGXYTP-LSDHHAIUSA-N 1 0 334.460 3.094 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cc(Cl)ccc1O ZINC000757660228 1300706417 /nfs/dbraw/zinc/70/64/17/1300706417.db2.gz CFNXCGAZJPMXRT-LLVKDONJSA-N 1 0 330.815 3.182 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1F ZINC000758522108 1300902765 /nfs/dbraw/zinc/90/27/65/1300902765.db2.gz HYKGDQZWDTYLJJ-XLIONFOSSA-N 1 0 346.421 3.287 20 10 EGCDRO COc1cc2c(cc1C[N@H+](C)Cc1ccc(N(C)C)cc1)OCO2 ZINC000761185798 1301415785 /nfs/dbraw/zinc/41/57/85/1301415785.db2.gz YEEFKNZGIOEOSK-UHFFFAOYSA-N 1 0 328.412 3.122 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000761977239 1301582011 /nfs/dbraw/zinc/58/20/11/1301582011.db2.gz WBGISWOTYRDADG-OAHLLOKOSA-N 1 0 347.459 3.490 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763653970 1301941336 /nfs/dbraw/zinc/94/13/36/1301941336.db2.gz ZPSAAJVOZOZNPF-GOSISDBHSA-N 1 0 328.456 3.204 20 10 EGCDRO Oc1ccccc1C[N@H+](CCCc1ccncc1)C[C@@H]1CCCO1 ZINC000764975970 1302179088 /nfs/dbraw/zinc/17/90/88/1302179088.db2.gz DHMVANJZPUCDKM-IBGZPJMESA-N 1 0 326.440 3.401 20 10 EGCDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765386843 1302259190 /nfs/dbraw/zinc/25/91/90/1302259190.db2.gz VZNOGGUKVHZJDY-OAHLLOKOSA-N 1 0 341.455 3.441 20 10 EGCDRO C[C@H]([NH2+]CCN1CCOCC1(C)C)c1ccc(N2CCCCC2)cc1 ZINC000765695617 1302310588 /nfs/dbraw/zinc/31/05/88/1302310588.db2.gz FZLWCNYFMKXBIF-SFHVURJKSA-N 1 0 345.531 3.438 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765973072 1302358687 /nfs/dbraw/zinc/35/86/87/1302358687.db2.gz BPJGXLGMQJGPHG-NHCUHLMSSA-N 1 0 345.531 3.437 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1O ZINC000883287289 1302365821 /nfs/dbraw/zinc/36/58/21/1302365821.db2.gz QNFDBZZLKBELOZ-GFCCVEGCSA-N 1 0 345.830 3.426 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000766029350 1302371883 /nfs/dbraw/zinc/37/18/83/1302371883.db2.gz JHTFLLMNYZEDRX-OAHLLOKOSA-N 1 0 337.467 3.431 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000766028859 1302372177 /nfs/dbraw/zinc/37/21/77/1302372177.db2.gz HRDVKIWWEQQTPJ-AWEZNQCLSA-N 1 0 326.444 3.402 20 10 EGCDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766580394 1302481507 /nfs/dbraw/zinc/48/15/07/1302481507.db2.gz FGONYWHJYZWATQ-OWCLPIDISA-N 1 0 336.451 3.128 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(O)c1 ZINC000768182575 1302845965 /nfs/dbraw/zinc/84/59/65/1302845965.db2.gz GXRBSQMLXYMECF-UHFFFAOYSA-N 1 0 329.396 3.194 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH+]2CCC(CCO)CC2)ccc1N1CCCCC1 ZINC000768237298 1302862541 /nfs/dbraw/zinc/86/25/41/1302862541.db2.gz NOPMSDLGLHPNMO-UHFFFAOYSA-N 1 0 347.459 3.180 20 10 EGCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768247786 1302867144 /nfs/dbraw/zinc/86/71/44/1302867144.db2.gz CZRMRGKIWWIKJJ-CQSZACIVSA-N 1 0 340.851 3.487 20 10 EGCDRO COc1cc(O)c(CN2CC[NH+](CC3CCCCC3)CC2)cc1OC ZINC000768439821 1302900572 /nfs/dbraw/zinc/90/05/72/1302900572.db2.gz KREXCZPELNOAFJ-UHFFFAOYSA-N 1 0 348.487 3.107 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)C1CC1)[C@@H](O)CO2 ZINC000768442535 1302902479 /nfs/dbraw/zinc/90/24/79/1302902479.db2.gz RXRABWILBSOBMW-SFHVURJKSA-N 1 0 329.371 3.122 20 10 EGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCCc2ccccc21 ZINC000768441942 1302905190 /nfs/dbraw/zinc/90/51/90/1302905190.db2.gz RBRFDCQMDDZRFJ-PKOBYXMFSA-N 1 0 325.408 3.327 20 10 EGCDRO CCN(CC)C(=O)C1([NH2+]Cc2cc(OC)c(C)cc2O)CCCCC1 ZINC000768464567 1302911115 /nfs/dbraw/zinc/91/11/15/1302911115.db2.gz BWWZAHCEQLCTRO-UHFFFAOYSA-N 1 0 348.487 3.370 20 10 EGCDRO COc1cc(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)c(O)cc1C ZINC000768461859 1302911613 /nfs/dbraw/zinc/91/16/13/1302911613.db2.gz GNBJEMMDXIDPNY-KRWDZBQOSA-N 1 0 326.440 3.202 20 10 EGCDRO CC(C)Oc1cccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000768465653 1302913914 /nfs/dbraw/zinc/91/39/14/1302913914.db2.gz OOSQELWYOBNCNJ-IBGZPJMESA-N 1 0 343.423 3.237 20 10 EGCDRO CCOCC[N@H+](CC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769138975 1303054794 /nfs/dbraw/zinc/05/47/94/1303054794.db2.gz FRMZPTRDNBKPRL-UHFFFAOYSA-N 1 0 335.448 3.444 20 10 EGCDRO CCC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O ZINC000769201479 1303069749 /nfs/dbraw/zinc/06/97/49/1303069749.db2.gz UYVTTYLKXYJELA-UHFFFAOYSA-N 1 0 333.453 3.208 20 10 EGCDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769302061 1303088216 /nfs/dbraw/zinc/08/82/16/1303088216.db2.gz MFQCCLLGHLWXGY-KRWDZBQOSA-N 1 0 346.475 3.111 20 10 EGCDRO COc1cccc(O)c1CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000769470296 1303120175 /nfs/dbraw/zinc/12/01/75/1303120175.db2.gz KORSWENOZWRSQF-QGZVFWFLSA-N 1 0 340.467 3.497 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000769483324 1303123516 /nfs/dbraw/zinc/12/35/16/1303123516.db2.gz HUPDJMZKEOZJSC-HXUWFJFHSA-N 1 0 325.408 3.075 20 10 EGCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769993930 1303203323 /nfs/dbraw/zinc/20/33/23/1303203323.db2.gz INAWORTUKPLLKY-NMONBKHDSA-N 1 0 338.879 3.154 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000770387418 1303259859 /nfs/dbraw/zinc/25/98/59/1303259859.db2.gz POEYSZXDOJPFQI-HUUCEWRRSA-N 1 0 334.460 3.436 20 10 EGCDRO COCCC[N@H+](CCc1ccc(OC)cc1)Cc1ccccc1O ZINC000770511082 1303280234 /nfs/dbraw/zinc/28/02/34/1303280234.db2.gz YZEOKHNSXCHKLG-UHFFFAOYSA-N 1 0 329.440 3.482 20 10 EGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CC12CCC2 ZINC000771067586 1303355413 /nfs/dbraw/zinc/35/54/13/1303355413.db2.gz UPPLAMNDZKFVBL-JKSUJKDBSA-N 1 0 348.874 3.316 20 10 EGCDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746717 1303581862 /nfs/dbraw/zinc/58/18/62/1303581862.db2.gz AMHUIOIARPXFQG-INIZCTEOSA-N 1 0 331.504 3.303 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cccs1 ZINC000886746927 1303581914 /nfs/dbraw/zinc/58/19/14/1303581914.db2.gz GFDJIAASUSTISD-CQSZACIVSA-N 1 0 343.496 3.301 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000772982745 1303601898 /nfs/dbraw/zinc/60/18/98/1303601898.db2.gz YHXSBVIEFLPDDV-MRXNPFEDSA-N 1 0 329.488 3.386 20 10 EGCDRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(N(C)C)cc1 ZINC000773611311 1303714029 /nfs/dbraw/zinc/71/40/29/1303714029.db2.gz HSGXEKUZLIKFDL-LPHOPBHVSA-N 1 0 344.503 3.083 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000775012036 1303888550 /nfs/dbraw/zinc/88/85/50/1303888550.db2.gz PHWJHHOQSJQJBM-DLBZAZTESA-N 1 0 336.863 3.292 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000775372156 1303948139 /nfs/dbraw/zinc/94/81/39/1303948139.db2.gz ZCOJWOGOGXBXIL-NSHDSACASA-N 1 0 344.440 3.109 20 10 EGCDRO CC(C)[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000775403970 1303958380 /nfs/dbraw/zinc/95/83/80/1303958380.db2.gz LKFZWKVUHLTMHP-VQIMIIECSA-N 1 0 331.504 3.440 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000775484294 1303970754 /nfs/dbraw/zinc/97/07/54/1303970754.db2.gz AOQYYXDVGGFTEO-IRXDYDNUSA-N 1 0 340.895 3.443 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)COCCOC)c1cc(Br)ccc1O ZINC000775524474 1303978447 /nfs/dbraw/zinc/97/84/47/1303978447.db2.gz ABKDXDQCPWFLCD-FZMZJTMJSA-N 1 0 346.265 3.247 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000775638274 1304000321 /nfs/dbraw/zinc/00/03/21/1304000321.db2.gz GXMSZQMDDWXASZ-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO CCc1nc(CN(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000775664679 1304009818 /nfs/dbraw/zinc/00/98/18/1304009818.db2.gz UIJMORBMDPOKIJ-UHFFFAOYSA-N 1 0 344.528 3.089 20 10 EGCDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775830636 1304045939 /nfs/dbraw/zinc/04/59/39/1304045939.db2.gz LJSRFPDCHPQJJL-YLJYHZDGSA-N 1 0 342.483 3.460 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC000776155092 1304102422 /nfs/dbraw/zinc/10/24/22/1304102422.db2.gz XTVQUZGTYIXXIJ-AWEZNQCLSA-N 1 0 340.414 3.273 20 10 EGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776174376 1304107586 /nfs/dbraw/zinc/10/75/86/1304107586.db2.gz MWMSBKDDTKOJHA-NHYWBVRUSA-N 1 0 330.266 3.350 20 10 EGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776237953 1304118678 /nfs/dbraw/zinc/11/86/78/1304118678.db2.gz KSCJLNIKHGPPCO-LZQZEXGQSA-N 1 0 344.503 3.082 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000776810361 1304202859 /nfs/dbraw/zinc/20/28/59/1304202859.db2.gz DZCZFMRBKBZEOU-RDJZCZTQSA-N 1 0 333.476 3.099 20 10 EGCDRO COC(=O)C1=C(C)O[C@H](C[N@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000778216555 1304421426 /nfs/dbraw/zinc/42/14/26/1304421426.db2.gz WRQKJEXALZIPFS-KRWDZBQOSA-N 1 0 345.439 3.373 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccn(C)n2)c1O ZINC000779048668 1304522855 /nfs/dbraw/zinc/52/28/55/1304522855.db2.gz AYJMAPBQBDCHIT-LLVKDONJSA-N 1 0 338.249 3.090 20 10 EGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2C1 ZINC000779047139 1304522863 /nfs/dbraw/zinc/52/28/63/1304522863.db2.gz WBXDEPIUSRHZJW-HXUWFJFHSA-N 1 0 336.435 3.205 20 10 EGCDRO CCN(CC(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889662236 1304554248 /nfs/dbraw/zinc/55/42/48/1304554248.db2.gz AHDANEGYQQFXSK-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)c1O ZINC000779605803 1304586745 /nfs/dbraw/zinc/58/67/45/1304586745.db2.gz ZHXUAXGCAJXTPD-OAHLLOKOSA-N 1 0 335.444 3.202 20 10 EGCDRO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]2CCCC[C@H]21 ZINC000782502909 1304983308 /nfs/dbraw/zinc/98/33/08/1304983308.db2.gz IHWUKBUTGLAOHP-LSTHTHJFSA-N 1 0 343.515 3.222 20 10 EGCDRO CN(C)C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000782536204 1304987203 /nfs/dbraw/zinc/98/72/03/1304987203.db2.gz QLDKDQYGCRKITJ-UHFFFAOYSA-N 1 0 346.475 3.159 20 10 EGCDRO Cc1sccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248435 1305000741 /nfs/dbraw/zinc/00/07/41/1305000741.db2.gz MNXQOIAJFYUVPC-KRWDZBQOSA-N 1 0 331.485 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)cc1C ZINC000785549040 1305376268 /nfs/dbraw/zinc/37/62/68/1305376268.db2.gz QZSKCVJDGNQOPI-SFHVURJKSA-N 1 0 330.472 3.417 20 10 EGCDRO COc1ccc(C[NH2+]CCCCOc2ccc(F)cc2)c(O)c1OC ZINC000892551009 1305435989 /nfs/dbraw/zinc/43/59/89/1305435989.db2.gz BOZQGMWPSLJWQQ-UHFFFAOYSA-N 1 0 349.402 3.497 20 10 EGCDRO Cn1ncc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1C1CC1 ZINC000892612481 1305470576 /nfs/dbraw/zinc/47/05/76/1305470576.db2.gz JNDGGTKCERQVOO-UHFFFAOYSA-N 1 0 342.512 3.141 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)c(O)c1OC ZINC000892657748 1305492208 /nfs/dbraw/zinc/49/22/08/1305492208.db2.gz BBCDOVDCWQBNCL-KUHUBIRLSA-N 1 0 336.476 3.010 20 10 EGCDRO COc1ccc(C[NH2+]CCOc2cc(C)cc(C)c2)c(O)c1OC ZINC000892668345 1305496801 /nfs/dbraw/zinc/49/68/01/1305496801.db2.gz HBVXZNGXUKJTAS-UHFFFAOYSA-N 1 0 331.412 3.195 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cnc(F)cc3C)CC2)cc1 ZINC000892813000 1305563584 /nfs/dbraw/zinc/56/35/84/1305563584.db2.gz PEXWNFXITYQBOR-UHFFFAOYSA-N 1 0 329.419 3.296 20 10 EGCDRO CCCSC[C@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000893330204 1305834153 /nfs/dbraw/zinc/83/41/53/1305834153.db2.gz WZBUZNYLKQSZBW-RDJZCZTQSA-N 1 0 349.544 3.010 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC000789946274 1306236386 /nfs/dbraw/zinc/23/63/86/1306236386.db2.gz HBTAGUVNONSGFF-OAHLLOKOSA-N 1 0 346.402 3.050 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc(F)cc3C)C2)cc1 ZINC000895006844 1309155538 /nfs/dbraw/zinc/15/55/38/1309155538.db2.gz UONFECHRDUDOCN-OAHLLOKOSA-N 1 0 329.419 3.154 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1cccc(OC)c1 ZINC000895251775 1309258105 /nfs/dbraw/zinc/25/81/05/1309258105.db2.gz NROLKPASWMOYGQ-QGZVFWFLSA-N 1 0 331.412 3.195 20 10 EGCDRO CN(C)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000792920534 1309260559 /nfs/dbraw/zinc/26/05/59/1309260559.db2.gz ZDNSLOUOIOTXNZ-ZBFHGGJFSA-N 1 0 341.421 3.488 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000792934503 1309263628 /nfs/dbraw/zinc/26/36/28/1309263628.db2.gz MMMQZGJTRDLGLD-OXJNMPFZSA-N 1 0 340.467 3.263 20 10 EGCDRO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000792979055 1309275335 /nfs/dbraw/zinc/27/53/35/1309275335.db2.gz FNSVZMSHEUJCAC-KBRIMQKVSA-N 1 0 338.879 3.025 20 10 EGCDRO COc1ccc(C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)c(O)c1 ZINC000793387519 1309360843 /nfs/dbraw/zinc/36/08/43/1309360843.db2.gz FXXRHUUEGLKZBQ-UHFFFAOYSA-N 1 0 346.456 3.227 20 10 EGCDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000793567625 1309406944 /nfs/dbraw/zinc/40/69/44/1309406944.db2.gz ZODXFKDSSPMWBQ-CQSZACIVSA-N 1 0 338.879 3.132 20 10 EGCDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000895837686 1309546732 /nfs/dbraw/zinc/54/67/32/1309546732.db2.gz WMHCQFCJUHITOC-MRXNPFEDSA-N 1 0 325.330 3.292 20 10 EGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795708183 1309813829 /nfs/dbraw/zinc/81/38/29/1309813829.db2.gz SAKVSWBZRAADOT-RHSMWYFYSA-N 1 0 332.488 3.454 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000795803432 1309837828 /nfs/dbraw/zinc/83/78/28/1309837828.db2.gz NDMGRTBZQKFFMD-UHFFFAOYSA-N 1 0 335.373 3.468 20 10 EGCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000796527540 1310020292 /nfs/dbraw/zinc/02/02/92/1310020292.db2.gz HAVUBJNFUUVOEM-UHFFFAOYSA-N 1 0 347.434 3.292 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC000896997149 1310127169 /nfs/dbraw/zinc/12/71/69/1310127169.db2.gz DPSKSSSZBRLIDM-GDBMZVCRSA-N 1 0 332.444 3.081 20 10 EGCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000797413266 1310187528 /nfs/dbraw/zinc/18/75/28/1310187528.db2.gz JMRUFAUOUJLMDE-FQEVSTJZSA-N 1 0 338.407 3.250 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1O ZINC000897536695 1310367733 /nfs/dbraw/zinc/36/77/33/1310367733.db2.gz QKZYKJXOTJHSRN-WFASDCNBSA-N 1 0 342.277 3.494 20 10 EGCDRO COCC[C@H](CO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000798505847 1310374087 /nfs/dbraw/zinc/37/40/87/1310374087.db2.gz VPSDZEVRIHDIOZ-MRXNPFEDSA-N 1 0 337.504 3.474 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CCOC1CCSCC1 ZINC000898435241 1310732853 /nfs/dbraw/zinc/73/28/53/1310732853.db2.gz VWAVTFSREIJJLQ-UHFFFAOYSA-N 1 0 346.290 3.157 20 10 EGCDRO Cc1ccncc1CCC[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450503 1310742368 /nfs/dbraw/zinc/74/23/68/1310742368.db2.gz RPRPYPLBADYVHL-NRFANRHFSA-N 1 0 340.515 3.281 20 10 EGCDRO COCC1(C[NH2+]Cc2cc(Br)cc(C)c2O)CCC1 ZINC000800526481 1310778417 /nfs/dbraw/zinc/77/84/17/1310778417.db2.gz KGKIBOMYIUWEBJ-UHFFFAOYSA-N 1 0 328.250 3.369 20 10 EGCDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3cc4c(cc3O)OCO4)C2)c1 ZINC000825090599 1320309004 /nfs/dbraw/zinc/30/90/04/1320309004.db2.gz CBDLVZWYBILAEA-CTYIDZIISA-N 1 0 327.380 3.165 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710300 1320357662 /nfs/dbraw/zinc/35/76/62/1320357662.db2.gz LMSOKWZIUWQFRU-YGRLFVJLSA-N 1 0 337.769 3.489 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000837306407 1320595461 /nfs/dbraw/zinc/59/54/61/1320595461.db2.gz JITQNXZFADOEAP-ROUUACIJSA-N 1 0 337.467 3.084 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC000802655210 1317023717 /nfs/dbraw/zinc/02/37/17/1317023717.db2.gz VEAGDESAFZRJGE-LJQANCHMSA-N 1 0 334.460 3.437 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2OCCc3ccccc32)cc1F ZINC000858136579 1328692140 /nfs/dbraw/zinc/69/21/40/1328692140.db2.gz OYEQVGXTJSVOQZ-IBGZPJMESA-N 1 0 332.394 3.434 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2OCCc3ccccc32)cc1F ZINC000858136580 1328692900 /nfs/dbraw/zinc/69/29/00/1328692900.db2.gz OYEQVGXTJSVOQZ-LJQANCHMSA-N 1 0 332.394 3.434 20 10 EGCDRO CSC1(C[NH2+]Cc2c(O)cccc2Br)CCOCC1 ZINC000858146907 1328696361 /nfs/dbraw/zinc/69/63/61/1328696361.db2.gz RIGWCWWTTPFZHQ-UHFFFAOYSA-N 1 0 346.290 3.157 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000858151258 1328697530 /nfs/dbraw/zinc/69/75/30/1328697530.db2.gz ZKPVQEGYGYGHBI-UHFFFAOYSA-N 1 0 334.213 3.475 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H](C)C3CC3)C2)cc1C ZINC001019829149 1317440946 /nfs/dbraw/zinc/44/09/46/1317440946.db2.gz NODTZIPNOORTMS-KSSFIOAISA-N 1 0 330.472 3.130 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000806179122 1317469984 /nfs/dbraw/zinc/46/99/84/1317469984.db2.gz PFZCZJJPOGNRFM-LSDHHAIUSA-N 1 0 338.492 3.456 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000806179811 1317470335 /nfs/dbraw/zinc/47/03/35/1317470335.db2.gz WGFJNEORJOADLV-JSGCOSHPSA-N 1 0 335.831 3.481 20 10 EGCDRO OC[C@H]([C@@H]([NH2+]Cc1c(O)cccc1Br)C1CC1)C1CC1 ZINC000858172970 1328702647 /nfs/dbraw/zinc/70/26/47/1328702647.db2.gz MTNUAGINEFDQEB-BBRMVZONSA-N 1 0 340.261 3.041 20 10 EGCDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccccc1O)[NH+](C)C ZINC000806644336 1317515923 /nfs/dbraw/zinc/51/59/23/1317515923.db2.gz XZMHJIARLBFLFR-DNVCBOLYSA-N 1 0 341.455 3.191 20 10 EGCDRO CO[C@@](C)([C@H](C)[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858176704 1328704646 /nfs/dbraw/zinc/70/46/46/1328704646.db2.gz FPTOZPNLFSDWEL-BONVTDFDSA-N 1 0 328.250 3.448 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3C=CCCC3)C2)cc1C ZINC001020285259 1317625990 /nfs/dbraw/zinc/62/59/90/1317625990.db2.gz VABMUOASLKIWNY-BHIYHBOVSA-N 1 0 342.483 3.487 20 10 EGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000903164391 1317666026 /nfs/dbraw/zinc/66/60/26/1317666026.db2.gz MYVJDWAPMQIBJC-JTQLQIEISA-N 1 0 331.313 3.406 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1C ZINC000808436232 1317677045 /nfs/dbraw/zinc/67/70/45/1317677045.db2.gz RMISFUQRLSVZEC-INIZCTEOSA-N 1 0 342.439 3.109 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)cn1 ZINC000903448186 1317701797 /nfs/dbraw/zinc/70/17/97/1317701797.db2.gz LSUWBMHTRYVEOY-LIRRHRJNSA-N 1 0 330.451 3.240 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)N(C)C)cc1 ZINC000903449333 1317702389 /nfs/dbraw/zinc/70/23/89/1317702389.db2.gz XIQGHOBEMYCQOM-RTWAWAEBSA-N 1 0 338.499 3.491 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCc3ncccc32)N(C)C)cc1 ZINC000903448758 1317702522 /nfs/dbraw/zinc/70/25/22/1317702522.db2.gz SBQUTPZGBYMCRC-RTWAWAEBSA-N 1 0 338.499 3.418 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1O ZINC000808672709 1317711842 /nfs/dbraw/zinc/71/18/42/1317711842.db2.gz RPCXYXZLSAEEAJ-ZDUSSCGKSA-N 1 0 326.868 3.115 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)c1O ZINC000808710924 1317719051 /nfs/dbraw/zinc/71/90/51/1317719051.db2.gz QNMRZIWEPKAZDI-AWEZNQCLSA-N 1 0 346.858 3.364 20 10 EGCDRO O=C1Nc2ccccc2C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858281765 1328728375 /nfs/dbraw/zinc/72/83/75/1328728375.db2.gz XRQIILQMQZLAAX-FQEVSTJZSA-N 1 0 335.451 3.330 20 10 EGCDRO CCOc1cccc(CN(CC[NH+](C)C)Cc2ccccc2F)c1O ZINC000809732224 1317882050 /nfs/dbraw/zinc/88/20/50/1317882050.db2.gz HRDLPJLMIKAUPL-UHFFFAOYSA-N 1 0 346.446 3.494 20 10 EGCDRO CC[C@H]([NH2+]C[C@]1(OC)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810236943 1317983146 /nfs/dbraw/zinc/98/31/46/1317983146.db2.gz OOIOWHSCVPDKDG-DZGCQCFKSA-N 1 0 333.350 3.257 20 10 EGCDRO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000929970401 1328752920 /nfs/dbraw/zinc/75/29/20/1328752920.db2.gz JZXSYKCPSUHQRR-FPOVZHCZSA-N 1 0 341.451 3.415 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c(O)c(C(C)(C)C)c1 ZINC000812295385 1318360988 /nfs/dbraw/zinc/36/09/88/1318360988.db2.gz XPTCZAHJWDOQBV-HNNXBMFYSA-N 1 0 329.444 3.342 20 10 EGCDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1=CC(=O)CS1 ZINC000812369943 1318378203 /nfs/dbraw/zinc/37/82/03/1318378203.db2.gz SVPVHKRTXGVZGH-MRXNPFEDSA-N 1 0 344.480 3.486 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CC23CC3)cc1C ZINC000960146310 1318380449 /nfs/dbraw/zinc/38/04/49/1318380449.db2.gz BLCCYOCDCRJHIN-ZWKOTPCHSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@@H](C)[C@@H](OC)C3(C)C)CC2)cc1 ZINC000812842158 1318468805 /nfs/dbraw/zinc/46/88/05/1318468805.db2.gz FJGZIBGYGFNLNG-NIKGAXFTSA-N 1 0 332.488 3.313 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)ccc1N(C)C ZINC000815015592 1318867955 /nfs/dbraw/zinc/86/79/55/1318867955.db2.gz NFHDLABGQJZDPM-UHFFFAOYSA-N 1 0 329.410 3.131 20 10 EGCDRO CS[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000815092553 1318888124 /nfs/dbraw/zinc/88/81/24/1318888124.db2.gz KHWSWJYFWJRNGD-RTBURBONSA-N 1 0 333.545 3.073 20 10 EGCDRO Cc1cc(C(=O)CN2CCC[C@H](CO)CC2)c(C)n1-c1ccccc1 ZINC000815279117 1318947752 /nfs/dbraw/zinc/94/77/52/1318947752.db2.gz UQMYULFERKOHTH-SFHVURJKSA-N 1 0 340.467 3.371 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)(C)O ZINC000815651791 1319037405 /nfs/dbraw/zinc/03/74/05/1319037405.db2.gz DKAPXQCAECYVDP-SUMWQHHRSA-N 1 0 340.895 3.377 20 10 EGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1C1CC1 ZINC000815834836 1319061292 /nfs/dbraw/zinc/06/12/92/1319061292.db2.gz BKRFBONDSNIUON-BBWFWOEESA-N 1 0 348.874 3.172 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1O ZINC000816630437 1319196736 /nfs/dbraw/zinc/19/67/36/1319196736.db2.gz DOTWMJAHFIJSIX-CQSZACIVSA-N 1 0 340.261 3.343 20 10 EGCDRO c1ccc(CN2CCc3cc(C[NH+]4CC5(C4)CCOC5)ccc32)cc1 ZINC000816670834 1319205843 /nfs/dbraw/zinc/20/58/43/1319205843.db2.gz HHWPLDMFXFPEKV-UHFFFAOYSA-N 1 0 334.463 3.472 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000817413867 1319353564 /nfs/dbraw/zinc/35/35/64/1319353564.db2.gz BTXPEYCSUYLYDU-ZFWWWQNUSA-N 1 0 335.444 3.201 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(OC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000817418559 1319355361 /nfs/dbraw/zinc/35/53/61/1319355361.db2.gz WMOPLQQETFHNBQ-CQSZACIVSA-N 1 0 332.366 3.478 20 10 EGCDRO Cc1cc(CC(=O)NC[C@@H](C)[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000914739320 1319371218 /nfs/dbraw/zinc/37/12/18/1319371218.db2.gz WSVUCRPCGGAFCT-CQSZACIVSA-N 1 0 347.890 3.356 20 10 EGCDRO Oc1ccc2ccc(O)c(C[NH+]3CCCC3)c2c1C[NH+]1CCCC1 ZINC000914781544 1319376128 /nfs/dbraw/zinc/37/61/28/1319376128.db2.gz CKXQBEUWGYCXPO-UHFFFAOYSA-N 1 0 326.440 3.443 20 10 EGCDRO CON1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000817589126 1319408866 /nfs/dbraw/zinc/40/88/66/1319408866.db2.gz UKCMPBIWYQPMNC-NSHDSACASA-N 1 0 343.265 3.140 20 10 EGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000817938410 1319466988 /nfs/dbraw/zinc/46/69/88/1319466988.db2.gz JYIMKWCIQWVQKF-KKSFZXQISA-N 1 0 349.482 3.289 20 10 EGCDRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940276 1319468302 /nfs/dbraw/zinc/46/83/02/1319468302.db2.gz FIQGCHWUOOUOLX-JXFKEZNVSA-N 1 0 326.488 3.148 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817941920 1319470579 /nfs/dbraw/zinc/47/05/79/1319470579.db2.gz LSQYGKBBUGJHLF-SJKOYZFVSA-N 1 0 333.863 3.462 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000817941569 1319470913 /nfs/dbraw/zinc/47/09/13/1319470913.db2.gz KOWHVWMGBKNAOV-ZWKOTPCHSA-N 1 0 331.410 3.308 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000817955751 1319476308 /nfs/dbraw/zinc/47/63/08/1319476308.db2.gz GYTMGLGWJSPJND-CQSZACIVSA-N 1 0 338.455 3.446 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ncc(Br)cc1F ZINC000817957837 1319476596 /nfs/dbraw/zinc/47/65/96/1319476596.db2.gz PQLFIAGKYHTSIO-SNVBAGLBSA-N 1 0 338.224 3.459 20 10 EGCDRO CC[C@@H](NC[C@]1(COC)CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817973898 1319482519 /nfs/dbraw/zinc/48/25/19/1319482519.db2.gz HGAFOFJKACSMLJ-ZBFHGGJFSA-N 1 0 346.393 3.220 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(O)cccc3OC)C2)cc1 ZINC000818219074 1319521472 /nfs/dbraw/zinc/52/14/72/1319521472.db2.gz BFQVTKJUURMTKD-HNNXBMFYSA-N 1 0 342.439 3.026 20 10 EGCDRO COc1ccsc1C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818221449 1319522647 /nfs/dbraw/zinc/52/26/47/1319522647.db2.gz MTEHWFQFMUJSTK-AWEZNQCLSA-N 1 0 332.469 3.381 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)C1(C)C ZINC000818341777 1319530868 /nfs/dbraw/zinc/53/08/68/1319530868.db2.gz GFNQVTVPAVQCMI-AYOQOUSVSA-N 1 0 332.488 3.315 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)CCCc2ccccc2)c1 ZINC000818352172 1319534421 /nfs/dbraw/zinc/53/44/21/1319534421.db2.gz IPGXNFVTLCSQMP-KRWDZBQOSA-N 1 0 340.467 3.490 20 10 EGCDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818996198 1319610651 /nfs/dbraw/zinc/61/06/51/1319610651.db2.gz CDXJAMHLTQZRIV-MRXNPFEDSA-N 1 0 347.842 3.113 20 10 EGCDRO O=C(CC[NH2+]CCCSc1nccs1)Nc1cccc(F)c1 ZINC000819063385 1319625234 /nfs/dbraw/zinc/62/52/34/1319625234.db2.gz MEPLKODCZROIMJ-UHFFFAOYSA-N 1 0 339.461 3.383 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCOc3cccc(F)c3)CC2)cc1 ZINC000917088147 1319753659 /nfs/dbraw/zinc/75/36/59/1319753659.db2.gz QGQVUIIMTLATEB-UHFFFAOYSA-N 1 0 344.430 3.425 20 10 EGCDRO C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1O)CC(C)(C)C ZINC000820872808 1319971801 /nfs/dbraw/zinc/97/18/01/1319971801.db2.gz ZYIXHTTZKOSPSH-UHFFFAOYSA-N 1 0 344.455 3.492 20 10 EGCDRO CCOC(=O)CN(Cc1ccc(C)c(OC)c1)Cc1ccccc1O ZINC000822511335 1320091759 /nfs/dbraw/zinc/09/17/59/1320091759.db2.gz DFZCTJDTBAPUAV-UHFFFAOYSA-N 1 0 343.423 3.275 20 10 EGCDRO CCOC(=O)CN(Cc1cccc(N(C)C)c1)Cc1ccccc1O ZINC000823576198 1320187727 /nfs/dbraw/zinc/18/77/27/1320187727.db2.gz IXSSSVWNEKYOOU-UHFFFAOYSA-N 1 0 342.439 3.024 20 10 EGCDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824561562 1320265388 /nfs/dbraw/zinc/26/53/88/1320265388.db2.gz ZSBLFJMQGQVAJY-CYBMUJFWSA-N 1 0 326.824 3.065 20 10 EGCDRO CCOCc1cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)ccc1OC ZINC000824716745 1320280305 /nfs/dbraw/zinc/28/03/05/1320280305.db2.gz ZIVHPXAMFWTDHN-UHFFFAOYSA-N 1 0 348.487 3.112 20 10 EGCDRO Cc1cc(O)c(CNc2cc(C(N)=O)ccc2C[NH+](C)C)cc1Cl ZINC000825026464 1320305393 /nfs/dbraw/zinc/30/53/93/1320305393.db2.gz IPHGBHXBBMESAW-UHFFFAOYSA-N 1 0 347.846 3.127 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000825045669 1320306295 /nfs/dbraw/zinc/30/62/95/1320306295.db2.gz IYTOQLLCBFHGSU-XLIONFOSSA-N 1 0 342.487 3.276 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c1O ZINC000825117455 1320312092 /nfs/dbraw/zinc/31/20/92/1320312092.db2.gz DLLLLTDSQFWTFH-IXDOHACOSA-N 1 0 329.444 3.184 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1C ZINC000825118528 1320313064 /nfs/dbraw/zinc/31/30/64/1320313064.db2.gz UAWPZZCJTKBNDA-BHIYHBOVSA-N 1 0 343.471 3.492 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1cccs1 ZINC000825291849 1320323882 /nfs/dbraw/zinc/32/38/82/1320323882.db2.gz QSRNEEOUQCDGMZ-CQSZACIVSA-N 1 0 342.258 3.214 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)C1CCOCC1 ZINC000825332252 1320328586 /nfs/dbraw/zinc/32/85/86/1320328586.db2.gz XXVAHVNGDGDMQJ-AWEZNQCLSA-N 1 0 328.250 3.450 20 10 EGCDRO COc1cc(C[N@@H+]2CCN(C(C)=O)CC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000825451557 1320340153 /nfs/dbraw/zinc/34/01/53/1320340153.db2.gz XEIXFNZIHPCTCJ-UHFFFAOYSA-N 1 0 348.487 3.141 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)C[C@H]2COCCO2)cc1 ZINC000827139568 1320429230 /nfs/dbraw/zinc/42/92/30/1320429230.db2.gz CHDBEQXBWICPQI-SFHVURJKSA-N 1 0 346.496 3.232 20 10 EGCDRO CCOC1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000827477208 1320456054 /nfs/dbraw/zinc/45/60/54/1320456054.db2.gz CJSHECGAGBDCJB-UHFFFAOYSA-N 1 0 332.488 3.303 20 10 EGCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827516274 1320458326 /nfs/dbraw/zinc/45/83/26/1320458326.db2.gz PIOJCVIWHBNIGZ-FQEVSTJZSA-N 1 0 343.515 3.333 20 10 EGCDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838960419 1320842799 /nfs/dbraw/zinc/84/27/99/1320842799.db2.gz CWBCBJOIRUHMAR-CYBMUJFWSA-N 1 0 341.293 3.300 20 10 EGCDRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 ZINC000838973253 1320845345 /nfs/dbraw/zinc/84/53/45/1320845345.db2.gz WKIHGHWIWVXNMZ-ZDUSSCGKSA-N 1 0 337.370 3.343 20 10 EGCDRO Cc1cncc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840758185 1321143013 /nfs/dbraw/zinc/14/30/13/1321143013.db2.gz DHDRPIINWZFGHM-AWEZNQCLSA-N 1 0 347.409 3.356 20 10 EGCDRO NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000840862953 1321164541 /nfs/dbraw/zinc/16/45/41/1321164541.db2.gz CSQSBDRZAGNXOF-JKSUJKDBSA-N 1 0 326.396 3.090 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)ccc1O ZINC000840882401 1321169533 /nfs/dbraw/zinc/16/95/33/1321169533.db2.gz NUIHIWPQEYXTCN-BDJLRTHQSA-N 1 0 332.350 3.127 20 10 EGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000840882817 1321169767 /nfs/dbraw/zinc/16/97/67/1321169767.db2.gz CCQNEECYPFDIRQ-LSDHHAIUSA-N 1 0 336.451 3.271 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCNC(=O)c1cccc(F)c1 ZINC000840934392 1321180239 /nfs/dbraw/zinc/18/02/39/1321180239.db2.gz QVQSWPJEIVKSSU-UHFFFAOYSA-N 1 0 343.446 3.110 20 10 EGCDRO COc1c(O)c(CNc2ccc(C[NH+](C)C)cc2F)ccc1[N+](=O)[O-] ZINC000840958552 1321186348 /nfs/dbraw/zinc/18/63/48/1321186348.db2.gz SGCKEQOYFVMUAP-UHFFFAOYSA-N 1 0 349.362 3.122 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840957204 1321186426 /nfs/dbraw/zinc/18/64/26/1321186426.db2.gz JESUHIVQJPICFL-JKSUJKDBSA-N 1 0 333.815 3.362 20 10 EGCDRO CC(C)Oc1ccccc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841039843 1321207024 /nfs/dbraw/zinc/20/70/24/1321207024.db2.gz CTTYYDVTOWOMAG-IBGZPJMESA-N 1 0 327.472 3.329 20 10 EGCDRO Nc1ccc(CC[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000841037903 1321207131 /nfs/dbraw/zinc/20/71/31/1321207131.db2.gz ZXRRIGKCVWXVOS-UHFFFAOYSA-N 1 0 349.228 3.092 20 10 EGCDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841057847 1321211070 /nfs/dbraw/zinc/21/10/70/1321211070.db2.gz LFGITFRFBBJQRP-OAQYLSRUSA-N 1 0 337.467 3.273 20 10 EGCDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000841300677 1321249991 /nfs/dbraw/zinc/24/99/91/1321249991.db2.gz ZLNAYISDVPIRLS-KSSFIOAISA-N 1 0 326.444 3.390 20 10 EGCDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(N)cc1 ZINC000841301382 1321250011 /nfs/dbraw/zinc/25/00/11/1321250011.db2.gz NBYSJHUOBWISAI-UHFFFAOYSA-N 1 0 330.407 3.004 20 10 EGCDRO CN(C)c1ccc(CN(C(=O)Nc2cccc(C[NH3+])c2)C2CC2)cc1 ZINC000841304437 1321251170 /nfs/dbraw/zinc/25/11/70/1321251170.db2.gz NDFUDOHXARRQIZ-UHFFFAOYSA-N 1 0 338.455 3.408 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000841406968 1321269181 /nfs/dbraw/zinc/26/91/81/1321269181.db2.gz UMUKONWUAXPQLQ-KBXCAEBGSA-N 1 0 342.439 3.271 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)NCc1ccccc1 ZINC000841746063 1321305195 /nfs/dbraw/zinc/30/51/95/1321305195.db2.gz BVLRYMABUVIUCW-STQMWFEESA-N 1 0 332.831 3.401 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Cl)cc1O ZINC000841760560 1321307984 /nfs/dbraw/zinc/30/79/84/1321307984.db2.gz SNCZXHYVJNSDMU-WFASDCNBSA-N 1 0 336.863 3.487 20 10 EGCDRO CN(c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1)C1CCCCC1 ZINC000841760129 1321308015 /nfs/dbraw/zinc/30/80/15/1321308015.db2.gz RCKVWWQHZBPGBB-QGZVFWFLSA-N 1 0 344.503 3.007 20 10 EGCDRO CC1(C)C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CO1 ZINC000841859995 1321323895 /nfs/dbraw/zinc/32/38/95/1321323895.db2.gz KNZSXIKNLVFRGY-AWEZNQCLSA-N 1 0 340.414 3.414 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000841969271 1321332842 /nfs/dbraw/zinc/33/28/42/1321332842.db2.gz IQWZKLXBBQUADQ-UHFFFAOYSA-N 1 0 333.476 3.094 20 10 EGCDRO CCC[NH2+]CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000841965654 1321333031 /nfs/dbraw/zinc/33/30/31/1321333031.db2.gz VHDXTRWPVDCZTQ-UHFFFAOYSA-N 1 0 333.476 3.236 20 10 EGCDRO COc1ccc(C[NH2+]C2(CC(=O)OC(C)(C)C)CCOCC2)cc1C ZINC000930741277 1328953551 /nfs/dbraw/zinc/95/35/51/1328953551.db2.gz LLXDWFGXNTXVDG-UHFFFAOYSA-N 1 0 349.471 3.374 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000843052544 1321462276 /nfs/dbraw/zinc/46/22/76/1321462276.db2.gz VNABLLHUOSFTPM-VXGBXAGGSA-N 1 0 327.266 3.022 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000843123486 1321473429 /nfs/dbraw/zinc/47/34/29/1321473429.db2.gz KLTWHSINXMHCBZ-CYBMUJFWSA-N 1 0 327.266 3.166 20 10 EGCDRO CCOc1cccc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c1O ZINC000843421902 1321516657 /nfs/dbraw/zinc/51/66/57/1321516657.db2.gz SDRFWQGBKPZBAY-FQEVSTJZSA-N 1 0 327.424 3.057 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@](C)([NH3+])c2ccccc2)cc1 ZINC000844167262 1321575138 /nfs/dbraw/zinc/57/51/38/1321575138.db2.gz YSGJFBFJTFXJJA-OAQYLSRUSA-N 1 0 339.483 3.365 20 10 EGCDRO C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000844925031 1321658338 /nfs/dbraw/zinc/65/83/38/1321658338.db2.gz PBAWWRAAWPVAHF-SNVBAGLBSA-N 1 0 345.256 3.334 20 10 EGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C[C@@H]1C ZINC000845971078 1321760338 /nfs/dbraw/zinc/76/03/38/1321760338.db2.gz GZXIVNLITLGHBA-KNCOVGOOSA-N 1 0 335.444 3.419 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCc3ccccc3C2)c1O ZINC000846137014 1321770114 /nfs/dbraw/zinc/77/01/14/1321770114.db2.gz QANLQEFQUNSFIA-OAHLLOKOSA-N 1 0 326.440 3.110 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1O ZINC000846142103 1321770911 /nfs/dbraw/zinc/77/09/11/1321770911.db2.gz XEIKVLJUIVHRTL-SUMWQHHRSA-N 1 0 332.419 3.493 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000846143788 1321771430 /nfs/dbraw/zinc/77/14/30/1321771430.db2.gz HJHRATHSDVOGGN-GHMZBOCLSA-N 1 0 327.384 3.395 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1O ZINC000846157333 1321772806 /nfs/dbraw/zinc/77/28/06/1321772806.db2.gz KHCZLLVAQOXPED-SFXCNKRSSA-N 1 0 325.499 3.431 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1O ZINC000846171980 1321773944 /nfs/dbraw/zinc/77/39/44/1321773944.db2.gz JZGMDUKKNHHDAS-DZGCQCFKSA-N 1 0 344.411 3.172 20 10 EGCDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1=O ZINC000846208833 1321776320 /nfs/dbraw/zinc/77/63/20/1321776320.db2.gz MHHAMJJJXKNKIK-SJORKVTESA-N 1 0 329.488 3.196 20 10 EGCDRO CC[N@H+](C)[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000846472138 1321787840 /nfs/dbraw/zinc/78/78/40/1321787840.db2.gz HLJMLUGZXWWTFS-QGZVFWFLSA-N 1 0 332.831 3.355 20 10 EGCDRO CC[N@H+](C)C[C@@H](O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846838858 1321814497 /nfs/dbraw/zinc/81/44/97/1321814497.db2.gz AZINVKVYIZVVKP-YLJYHZDGSA-N 1 0 342.483 3.268 20 10 EGCDRO C[C@H](c1ccccc1)[N@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1O ZINC000846839910 1321814808 /nfs/dbraw/zinc/81/48/08/1321814808.db2.gz HUJVRCVVPWWSEZ-AEFFLSMTSA-N 1 0 338.451 3.482 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O ZINC000848906899 1322041016 /nfs/dbraw/zinc/04/10/16/1322041016.db2.gz FCXAPEQZOLNROS-CYBMUJFWSA-N 1 0 337.427 3.294 20 10 EGCDRO [NH2+]=C(NCc1ccccc1O)Nc1ccccc1OC(F)(F)F ZINC000849107407 1322081592 /nfs/dbraw/zinc/08/15/92/1322081592.db2.gz FQVWUNRLDYRALQ-UHFFFAOYSA-N 1 0 325.290 3.427 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCN(CC(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000850327452 1322229555 /nfs/dbraw/zinc/22/95/55/1322229555.db2.gz FKOUEVZBESJKJP-ZDUSSCGKSA-N 1 0 342.430 3.127 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)OCO2 ZINC000850356393 1322233840 /nfs/dbraw/zinc/23/38/40/1322233840.db2.gz VQJZWIUWGRJJOB-OAHLLOKOSA-N 1 0 347.333 3.101 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc4C3)cc2)CC1 ZINC000850406241 1322241085 /nfs/dbraw/zinc/24/10/85/1322241085.db2.gz YGQVKEXQHSLQGT-HXUWFJFHSA-N 1 0 336.479 3.295 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1C ZINC000850418541 1322243926 /nfs/dbraw/zinc/24/39/26/1322243926.db2.gz MBXPZUGZSSPYTQ-HNNXBMFYSA-N 1 0 325.330 3.244 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c2c1c(F)ccc2O ZINC000850563171 1322268735 /nfs/dbraw/zinc/26/87/35/1322268735.db2.gz TZLMMHUPQCJNQP-SPKLELGKSA-N 1 0 337.435 3.237 20 10 EGCDRO O=C1OCCN1c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921985848 1322434790 /nfs/dbraw/zinc/43/47/90/1322434790.db2.gz CJCYITWELFOJJU-UHFFFAOYSA-N 1 0 338.407 3.258 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)cc1 ZINC000924573334 1323059218 /nfs/dbraw/zinc/05/92/18/1323059218.db2.gz HRNKDMSDUUKNPT-UHFFFAOYSA-N 1 0 333.476 3.146 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cnc4ccccc4n3)CC2)cc1 ZINC000851733488 1323075377 /nfs/dbraw/zinc/07/53/77/1323075377.db2.gz XBKAQRVIWRELQV-UHFFFAOYSA-N 1 0 348.450 3.351 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000851949991 1323120979 /nfs/dbraw/zinc/12/09/79/1323120979.db2.gz LCXDDOQUMNDPTQ-GFCCVEGCSA-N 1 0 332.835 3.090 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(N(C)C(=O)C3CC3)CC2)cc1C ZINC000962980357 1323180214 /nfs/dbraw/zinc/18/02/14/1323180214.db2.gz WUVXEWLHPSHQAX-UHFFFAOYSA-N 1 0 330.472 3.273 20 10 EGCDRO CC[C@H]1COC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924906697 1323208791 /nfs/dbraw/zinc/20/87/91/1323208791.db2.gz NHTWEGFCBZQCET-GUYCJALGSA-N 1 0 340.414 3.271 20 10 EGCDRO CN(C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000852820566 1323246247 /nfs/dbraw/zinc/24/62/47/1323246247.db2.gz XYBFHIUWHMNLHF-CYBMUJFWSA-N 1 0 326.444 3.061 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)CC4CC4)C[C@H]23)cc1C ZINC001026170964 1324639172 /nfs/dbraw/zinc/63/91/72/1324639172.db2.gz MYHFRMSEXYOPJH-CEXWTWQISA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3CC4(CC4)C3)C2)cc1C ZINC001027055085 1325194282 /nfs/dbraw/zinc/19/42/82/1325194282.db2.gz WOFPBEODAZVVBD-KRWDZBQOSA-N 1 0 342.483 3.132 20 10 EGCDRO OC[C@H]1c2ccccc2CC[N@H+]1Cc1c(O)cccc1Br ZINC000862245896 1329470530 /nfs/dbraw/zinc/47/05/30/1329470530.db2.gz AVRYUVTVSAGSNP-INIZCTEOSA-N 1 0 348.240 3.246 20 10 EGCDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CCCC[C@H]1O ZINC000862300119 1329474512 /nfs/dbraw/zinc/47/45/12/1329474512.db2.gz KQHULCWIGMNZHQ-BXUZGUMPSA-N 1 0 328.250 3.138 20 10 EGCDRO C[NH+](C)[C@@H]1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000862347055 1329476397 /nfs/dbraw/zinc/47/63/97/1329476397.db2.gz KUMZNHIRFWHUPM-GFCCVEGCSA-N 1 0 327.266 3.071 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000862359827 1329477711 /nfs/dbraw/zinc/47/77/11/1329477711.db2.gz RDRAQPMXBAMSPI-ZFWWWQNUSA-N 1 0 326.234 3.298 20 10 EGCDRO CCC[C@]1(CO)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862370093 1329478910 /nfs/dbraw/zinc/47/89/10/1329478910.db2.gz BINFITONOKYYSU-HNNXBMFYSA-N 1 0 328.250 3.139 20 10 EGCDRO CCCN(Cc1c(O)cccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000862399946 1329482928 /nfs/dbraw/zinc/48/29/28/1329482928.db2.gz IJQHPRZRQHNUCU-GFCCVEGCSA-N 1 0 327.266 3.071 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862755752 1329506777 /nfs/dbraw/zinc/50/67/77/1329506777.db2.gz KKDUJRGZRJNKNS-UHFFFAOYSA-N 1 0 326.440 3.472 20 10 EGCDRO O=c1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c[nH]1 ZINC000865479082 1329703007 /nfs/dbraw/zinc/70/30/07/1329703007.db2.gz XCUWVXXLXFKNRN-AWEZNQCLSA-N 1 0 349.381 3.147 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1O ZINC000865651472 1329725453 /nfs/dbraw/zinc/72/54/53/1329725453.db2.gz TZGFADKXKYTLBJ-QAPCUYQASA-N 1 0 335.350 3.299 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000865731477 1329733578 /nfs/dbraw/zinc/73/35/78/1329733578.db2.gz PAOGPFWZVAERNR-LLVKDONJSA-N 1 0 328.368 3.489 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@]3(C)CC=CCC3)C2)cc1C ZINC000968783230 1336049676 /nfs/dbraw/zinc/04/96/76/1336049676.db2.gz QJGMWBXFGMNPRP-WIYYLYMNSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3C=CCCC3)C2)cc1C ZINC000969063340 1336135575 /nfs/dbraw/zinc/13/55/75/1336135575.db2.gz JRPZYXPFUNRTBW-PKOBYXMFSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(C)CCCC3)C2)cc1C ZINC000969504114 1336219746 /nfs/dbraw/zinc/21/97/46/1336219746.db2.gz ISEUUJJQZDARLE-QGZVFWFLSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccoc3)C[C@@H]2C)cc1C ZINC001035917372 1343270872 /nfs/dbraw/zinc/27/08/72/1343270872.db2.gz YWBKXINWTCSKSW-YJBOKZPZSA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)C(C)C)C2)cc1C ZINC001036362867 1343444060 /nfs/dbraw/zinc/44/40/60/1343444060.db2.gz MSVPLYMDPUXYAY-SJLPKXTDSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C2(C)CC2)cc1C ZINC001037012206 1343928727 /nfs/dbraw/zinc/92/87/27/1343928727.db2.gz CKOBKLDLDRZBJW-SJORKVTESA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc[nH]3)[C@@H](C)C2)cc1C ZINC001044459242 1346338701 /nfs/dbraw/zinc/33/87/01/1346338701.db2.gz ZOUJQKQFBLGLJO-RDJZCZTQSA-N 1 0 341.455 3.115 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H](C)C2)cc1C ZINC001044459240 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CCN(CC)c1ccc(C[N@H+]2Cc3cn(C)nc3[C@H](COC)C2)cc1 ZINC001203940600 1370323489 /nfs/dbraw/zinc/32/34/89/1370323489.db2.gz QVBSIDPEQGZPOW-SFHVURJKSA-N 1 0 342.487 3.012 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c2ccccc21 ZINC001204232382 1370417725 /nfs/dbraw/zinc/41/77/25/1370417725.db2.gz BQNYZDXVEPTWCS-UHFFFAOYSA-N 1 0 337.467 3.008 20 10 EGCDRO Cn1c2ccccc2nc1C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278900 1370430658 /nfs/dbraw/zinc/43/06/58/1370430658.db2.gz MMEOIWRTELGFHH-UHFFFAOYSA-N 1 0 337.423 3.364 20 10 EGCDRO c1cnc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329379 1370445386 /nfs/dbraw/zinc/44/53/86/1370445386.db2.gz ORNWNMRAGDRZTL-LJQANCHMSA-N 1 0 338.455 3.120 20 10 EGCDRO CCN1CC2(CC1=O)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204329374 1370445396 /nfs/dbraw/zinc/44/53/96/1370445396.db2.gz OIBKLWXEWZMWDD-UHFFFAOYSA-N 1 0 341.499 3.121 20 10 EGCDRO COc1cc(C)c(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c(O)c1 ZINC001204672947 1370542281 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N[C@@H](C[NH3+])c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 ZINC001217698419 1373489595 /nfs/dbraw/zinc/48/95/95/1373489595.db2.gz CQVUDOZKOHOKME-SFHVURJKSA-N 1 0 345.406 3.153 20 10 EGCDRO O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218020940 1373539724 /nfs/dbraw/zinc/53/97/24/1373539724.db2.gz URKOXZBYEXBPKO-HKYLEAMTSA-N 1 0 346.318 3.405 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(F)cc(C)cc2F)cc1C ZINC001131118876 1373645740 /nfs/dbraw/zinc/64/57/40/1373645740.db2.gz RCCQOBXSUOJOPI-UHFFFAOYSA-N 1 0 348.393 3.110 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)CC(C)(C)CC(F)F)cc1C ZINC001131486690 1373708779 /nfs/dbraw/zinc/70/87/79/1373708779.db2.gz MQNKLJLWYHWXJL-UHFFFAOYSA-N 1 0 342.430 3.281 20 10 EGCDRO COC(=O)c1cccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC001326891538 1388341853 /nfs/dbraw/zinc/34/18/53/1388341853.db2.gz GRKYCINWROGENY-UHFFFAOYSA-N 1 0 342.439 3.050 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3c[nH]c4cnccc34)CC2)cc1 ZINC001231519419 1376254745 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C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccnc(C(F)F)c1 ZINC001231888474 1376336527 /nfs/dbraw/zinc/33/65/27/1376336527.db2.gz HDUYBBXNSYDHAK-UHFFFAOYSA-N 1 0 347.409 3.488 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cccc4c[nH]nc43)CC2)c(C)c1 ZINC001231975406 1376368003 /nfs/dbraw/zinc/36/80/03/1376368003.db2.gz OFYGKRRUBWSSRA-UHFFFAOYSA-N 1 0 336.439 3.202 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(n3nccc3C)CC2)cc1Cl ZINC001232270817 1376427823 /nfs/dbraw/zinc/42/78/23/1376427823.db2.gz JIOQBSDDAGOOEM-UHFFFAOYSA-N 1 0 335.835 3.396 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3c(C)cccc3OC)CC2)cc1 ZINC001232621971 1376491340 /nfs/dbraw/zinc/49/13/40/1376491340.db2.gz NYHXIHREKXJQNH-UHFFFAOYSA-N 1 0 326.440 3.334 20 10 EGCDRO COC(=O)c1cccc2c(C[N@@H+]3CCc4cccc(O)c4C3)c[nH]c21 ZINC001232711458 1376507119 /nfs/dbraw/zinc/50/71/19/1376507119.db2.gz ODYHNGIETYKRBG-UHFFFAOYSA-N 1 0 336.391 3.218 20 10 EGCDRO CC(C)(C)c1ccc(O)c(CN2CCN(CC(F)(F)F)CC2)c1 ZINC001233286477 1376604997 /nfs/dbraw/zinc/60/49/97/1376604997.db2.gz 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10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)CC(F)(F)F)cc1C ZINC001163064631 1382958884 /nfs/dbraw/zinc/95/88/84/1382958884.db2.gz AOGUZUACFSRMRU-CYBMUJFWSA-N 1 0 346.393 3.188 20 10 EGCDRO CC[C@@H]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001166045788 1383380734 /nfs/dbraw/zinc/38/07/34/1383380734.db2.gz CJDRPBUHRFPZDW-MSOLQXFVSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@]2(C)CCC[C@H]2C)cc1C ZINC001166054463 1383383964 /nfs/dbraw/zinc/38/39/64/1383383964.db2.gz RRHBAGXWRLZYHZ-OXQOHEQNSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C[C@@H]3C[C@H]3C)CC2)cc1C ZINC001166994448 1383511904 /nfs/dbraw/zinc/51/19/04/1383511904.db2.gz MMUDJRZZZASKIS-QAPCUYQASA-N 1 0 344.499 3.426 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001167283052 1383584242 /nfs/dbraw/zinc/58/42/42/1383584242.db2.gz VWUDVYRKGPXJCU-QZTJIDSGSA-N 1 0 344.499 3.426 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ncc4sccc4n3)cc2)CC1 ZINC001167423092 1383630103 /nfs/dbraw/zinc/63/01/03/1383630103.db2.gz MTZFJPUZMKSMNS-UHFFFAOYSA-N 1 0 339.468 3.055 20 10 EGCDRO CCOC(=O)c1cc(N2C(C)(C)CC([NH3+])CC2(C)C)cc2c1OCC2 ZINC001167626856 1383692841 /nfs/dbraw/zinc/69/28/41/1383692841.db2.gz VWRKDFDBYZREBQ-UHFFFAOYSA-N 1 0 346.471 3.283 20 10 EGCDRO C[C@@H]1C[C@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CCO1 ZINC001168142891 1383826472 /nfs/dbraw/zinc/82/64/72/1383826472.db2.gz FXIFFNQWTLUQOJ-UKRRQHHQSA-N 1 0 344.377 3.275 20 10 EGCDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001169729049 1384179397 /nfs/dbraw/zinc/17/93/97/1384179397.db2.gz PYZOAPCDVRVNLY-IBGZPJMESA-N 1 0 336.435 3.016 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC001169736786 1384180521 /nfs/dbraw/zinc/18/05/21/1384180521.db2.gz RTJWRMMMFOXTNW-LJQANCHMSA-N 1 0 337.467 3.147 20 10 EGCDRO Oc1ccc(CNc2c[nH+]c3cccc(Br)n23)cc1O ZINC001169995050 1384213760 /nfs/dbraw/zinc/21/37/60/1384213760.db2.gz QDVPTEBQQUOLDA-UHFFFAOYSA-N 1 0 334.173 3.120 20 10 EGCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)cc1 ZINC001170764739 1384381906 /nfs/dbraw/zinc/38/19/06/1384381906.db2.gz LZVDEFKLAPHPAV-VJDPLVQDSA-N 1 0 344.499 3.268 20 10 EGCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCc3cccc(Cl)c3C2)cc1O ZINC001170897191 1384407330 /nfs/dbraw/zinc/40/73/30/1384407330.db2.gz MBTICCBHYLIYRU-ZDUSSCGKSA-N 1 0 333.815 3.146 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172133525 1384737385 /nfs/dbraw/zinc/73/73/85/1384737385.db2.gz FMKGDGQSSVZFEQ-CIUFUOKISA-N 1 0 344.499 3.084 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172133529 1384739096 /nfs/dbraw/zinc/73/90/96/1384739096.db2.gz FMKGDGQSSVZFEQ-KOLWVEQXSA-N 1 0 344.499 3.084 20 10 EGCDRO Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001172824255 1384858993 /nfs/dbraw/zinc/85/89/93/1384858993.db2.gz SKPZBVPMSWFJTC-NRFANRHFSA-N 1 0 336.479 3.479 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001174713142 1385138753 /nfs/dbraw/zinc/13/87/53/1385138753.db2.gz NLADMEVMDAVYGJ-QGPMSJSTSA-N 1 0 332.488 3.424 20 10 EGCDRO Nc1ccc(N(CCO)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001175365774 1385267069 /nfs/dbraw/zinc/26/70/69/1385267069.db2.gz BEHYONIJVKDRIV-UHFFFAOYSA-N 1 0 325.456 3.385 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccc(C)s2)cc1C ZINC001176920386 1385745075 /nfs/dbraw/zinc/74/50/75/1385745075.db2.gz HTIFOPCOANIQEU-UHFFFAOYSA-N 1 0 346.496 3.212 20 10 EGCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)C(F)F)cc1C ZINC001177716362 1386028228 /nfs/dbraw/zinc/02/82/28/1386028228.db2.gz DOBZXKOYGBVHQD-UHFFFAOYSA-N 1 0 328.403 3.035 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CCc3scnc3C)CC2)cc1 ZINC001319847561 1386332005 /nfs/dbraw/zinc/33/20/05/1386332005.db2.gz ORIABROKTFTHQV-UHFFFAOYSA-N 1 0 331.485 3.215 20 10 EGCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)c2cnco2)cc1C ZINC001179171299 1386417433 /nfs/dbraw/zinc/41/74/33/1386417433.db2.gz CRDXHURABQWKDU-UHFFFAOYSA-N 1 0 345.443 3.072 20 10 EGCDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1C ZINC001320070465 1386490092 /nfs/dbraw/zinc/49/00/92/1386490092.db2.gz JZMDMYYPYBWJPK-UHFFFAOYSA-N 1 0 335.407 3.461 20 10 EGCDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689287 1386554344 /nfs/dbraw/zinc/55/43/44/1386554344.db2.gz JAZRQNOUMKPOSE-YXMGTMDOSA-N 1 0 338.407 3.246 20 10 EGCDRO Clc1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)s1 ZINC001320368801 1386590344 /nfs/dbraw/zinc/59/03/44/1386590344.db2.gz CNQCBATVFXHUNS-QMMMGPOBSA-N 1 0 341.893 3.341 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC12CCC[NH+]1CCC2 ZINC001181109248 1386938391 /nfs/dbraw/zinc/93/83/91/1386938391.db2.gz PWHMCKJCOAQEKM-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001329174525 1389005180 /nfs/dbraw/zinc/00/51/80/1389005180.db2.gz FYVNLISBQGULBK-AUKZQPGHSA-N 1 0 340.423 3.469 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC001336319325 1389067856 /nfs/dbraw/zinc/06/78/56/1389067856.db2.gz MQUQRTSPXJNVFG-CZUORRHYSA-N 1 0 342.414 3.408 20 10 EGCDRO CNC(=O)CC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCCC1 ZINC001330300886 1389382314 /nfs/dbraw/zinc/38/23/14/1389382314.db2.gz OQTZNKKQSGIIHU-UHFFFAOYSA-N 1 0 343.515 3.463 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001330319648 1389386964 /nfs/dbraw/zinc/38/69/64/1389386964.db2.gz HJTHRLOPOSJWTH-RBSFLKMASA-N 1 0 330.472 3.486 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccc3c[nH]nc32)N(C)C)cc1 ZINC001337791709 1389444363 /nfs/dbraw/zinc/44/43/63/1389444363.db2.gz NALWTJBPNHYIKP-LJQANCHMSA-N 1 0 337.471 3.021 20 10 EGCDRO CCCSC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001342896766 1390669302 /nfs/dbraw/zinc/66/93/02/1390669302.db2.gz DYRAZDYAMYMIRQ-AWEZNQCLSA-N 1 0 340.508 3.408 20 10 EGCDRO CCCSC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001342896767 1390669644 /nfs/dbraw/zinc/66/96/44/1390669644.db2.gz DYRAZDYAMYMIRQ-CQSZACIVSA-N 1 0 340.508 3.408 20 10 EGCDRO Nc1ccc(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC001346632149 1390964521 /nfs/dbraw/zinc/96/45/21/1390964521.db2.gz BDPAHIQRUXBGJN-UHFFFAOYSA-N 1 0 344.503 3.113 20 10 EGCDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCCCC1 ZINC001752922241 1440249020 /nfs/dbraw/zinc/24/90/20/1440249020.db2.gz IEUSGQIHIUVHED-CYBMUJFWSA-N 1 0 345.447 3.137 20 10 EGCDRO CC[C@H](CNC(=O)[C@@]1(C)C=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753481981 1440416971 /nfs/dbraw/zinc/41/69/71/1440416971.db2.gz AJFCLRDKWZVSET-XLIONFOSSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CC(C)C)cc1C ZINC001753878470 1440520101 /nfs/dbraw/zinc/52/01/01/1440520101.db2.gz RXKDKWMILSINAL-QZTJIDSGSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)c2cccs2)cc1C ZINC001754244660 1440556603 /nfs/dbraw/zinc/55/66/03/1440556603.db2.gz IVYCYCAPPXNVAZ-CABCVRRESA-N 1 0 346.496 3.463 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccc(C)o2)cc1C ZINC001755226829 1440786107 /nfs/dbraw/zinc/78/61/07/1440786107.db2.gz QHOJGMDQDONVSX-GJZGRUSLSA-N 1 0 330.428 3.202 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC(F)(F)C2)cc1C ZINC001755230439 1440786847 /nfs/dbraw/zinc/78/68/47/1440786847.db2.gz JZGWUSNITLTSJY-STQMWFEESA-N 1 0 340.414 3.032 20 10 EGCDRO CCCCC[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001755392126 1440842308 /nfs/dbraw/zinc/84/23/08/1440842308.db2.gz QZFASNBIFOXWRZ-ZDUSSCGKSA-N 1 0 345.447 3.089 20 10 EGCDRO C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594227278 998871684 /nfs/dbraw/zinc/87/16/84/998871684.db2.gz ZUWONUCVWMWUIZ-XHSDSOJGSA-N 1 0 348.487 3.499 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000835075626 1126111662 /nfs/dbraw/zinc/11/16/62/1126111662.db2.gz ZHOAHNAZVPUAIU-QGZVFWFLSA-N 1 0 349.858 3.364 20 10 EGCDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183169718 455242854 /nfs/dbraw/zinc/24/28/54/455242854.db2.gz HFKDXNBJTRABFL-RDJZCZTQSA-N 1 0 327.424 3.174 20 10 EGCDRO COc1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1C ZINC000264713668 455268492 /nfs/dbraw/zinc/26/84/92/455268492.db2.gz JTZCKXDZXGOYHD-UHFFFAOYSA-N 1 0 338.451 3.416 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@](C)(O)c2ccsc2)ccc1OC ZINC000077460521 454108571 /nfs/dbraw/zinc/10/85/71/454108571.db2.gz WBVSYTFALFLLQG-SFHVURJKSA-N 1 0 335.469 3.291 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119373234 454190782 /nfs/dbraw/zinc/19/07/82/454190782.db2.gz KHOGTMOURPPJIX-HOCLYGCPSA-N 1 0 336.451 3.271 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)Cc1ccccc1O ZINC000079392909 454406934 /nfs/dbraw/zinc/40/69/34/454406934.db2.gz BOKRYMLSUQFVKA-MRXNPFEDSA-N 1 0 333.476 3.188 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000092661793 454604936 /nfs/dbraw/zinc/60/49/36/454604936.db2.gz FEXJIMJHYBGLSU-MRXNPFEDSA-N 1 0 325.836 3.206 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cn1 ZINC000092740584 454621774 /nfs/dbraw/zinc/62/17/74/454621774.db2.gz LMTHDHKJWHDTME-HNNXBMFYSA-N 1 0 343.446 3.280 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000092739866 454622163 /nfs/dbraw/zinc/62/21/63/454622163.db2.gz MZGOOXSCXUTJGU-ZDUSSCGKSA-N 1 0 333.382 3.047 20 10 EGCDRO CC[NH+](CC)[C@@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000105650876 454648544 /nfs/dbraw/zinc/64/85/44/454648544.db2.gz JRPUVQXDZBBXOA-GOSISDBHSA-N 1 0 342.439 3.100 20 10 EGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093362471 454709019 /nfs/dbraw/zinc/70/90/19/454709019.db2.gz WAKRFICPBWLDIX-QGZVFWFLSA-N 1 0 340.423 3.028 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000093842445 454739806 /nfs/dbraw/zinc/73/98/06/454739806.db2.gz VMGOXAYURUKDLI-LJQANCHMSA-N 1 0 349.471 3.341 20 10 EGCDRO CCOc1ccccc1NC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000137278833 454774448 /nfs/dbraw/zinc/77/44/48/454774448.db2.gz MFOWXQATIQLYJK-UHFFFAOYSA-N 1 0 328.412 3.252 20 10 EGCDRO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000109772428 454835702 /nfs/dbraw/zinc/83/57/02/454835702.db2.gz WNNGDDBDPMBXAK-UHFFFAOYSA-N 1 0 330.403 3.012 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Br)ccc1O ZINC000184912881 455471692 /nfs/dbraw/zinc/47/16/92/455471692.db2.gz DWXXGMVBPIGBQC-LLVKDONJSA-N 1 0 339.277 3.432 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000177858982 454913444 /nfs/dbraw/zinc/91/34/44/454913444.db2.gz VOXCEFWTYJTBOO-GOSISDBHSA-N 1 0 346.519 3.016 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1 ZINC000177943206 454921105 /nfs/dbraw/zinc/92/11/05/454921105.db2.gz BHIDODJTUNQGHU-JKSUJKDBSA-N 1 0 325.456 3.108 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c(O)c1 ZINC000154716319 454922651 /nfs/dbraw/zinc/92/26/51/454922651.db2.gz QFMLLRFAIKNOSB-HOYKHHGWSA-N 1 0 347.480 3.390 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]CC3=CCCOC3)C2)cc1 ZINC000127613508 454982080 /nfs/dbraw/zinc/98/20/80/454982080.db2.gz CNMXRWZLWQUDFK-HNNXBMFYSA-N 1 0 338.398 3.193 20 10 EGCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3O)CC2)c(C)o1 ZINC000180063599 455125227 /nfs/dbraw/zinc/12/52/27/455125227.db2.gz PLUBHTZBFAQYHN-UHFFFAOYSA-N 1 0 346.402 3.136 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c(O)c1 ZINC000180130061 455136994 /nfs/dbraw/zinc/13/69/94/455136994.db2.gz UKJOEQABSLBSAB-QGZVFWFLSA-N 1 0 329.444 3.351 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCc3scnc3C)CC2)cc1 ZINC000172528151 455160553 /nfs/dbraw/zinc/16/05/53/455160553.db2.gz DUGFMIQIWRIFOQ-UHFFFAOYSA-N 1 0 331.485 3.215 20 10 EGCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000189406399 455191360 /nfs/dbraw/zinc/19/13/60/455191360.db2.gz KOFAPPPSYVXMAU-GJZGRUSLSA-N 1 0 335.467 3.333 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1O ZINC000183442458 455293313 /nfs/dbraw/zinc/29/33/13/455293313.db2.gz GXINFBKAAZGUPP-MRXNPFEDSA-N 1 0 340.467 3.452 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c(O)c1 ZINC000266160816 455423775 /nfs/dbraw/zinc/42/37/75/455423775.db2.gz NNQZOAGCGZAKDM-LJQANCHMSA-N 1 0 333.428 3.388 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1O ZINC000184694811 455428975 /nfs/dbraw/zinc/42/89/75/455428975.db2.gz UGJLKMMLCZFLQJ-MRXNPFEDSA-N 1 0 333.815 3.146 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c(O)c1 ZINC000185063399 455493645 /nfs/dbraw/zinc/49/36/45/455493645.db2.gz YCEHZLGECKZMNG-QGZVFWFLSA-N 1 0 340.467 3.384 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836080 455524575 /nfs/dbraw/zinc/52/45/75/455524575.db2.gz USUNDLOVQRIQNW-MJGOQNOKSA-N 1 0 340.467 3.334 20 10 EGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185322798 455539860 /nfs/dbraw/zinc/53/98/60/455539860.db2.gz MLKBJPLRBCRBBW-UONOGXRCSA-N 1 0 348.468 3.021 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c(O)c1 ZINC000185446629 455559426 /nfs/dbraw/zinc/55/94/26/455559426.db2.gz PADIVFVZSASWCJ-ZDUSSCGKSA-N 1 0 332.831 3.435 20 10 EGCDRO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000185498979 455568711 /nfs/dbraw/zinc/56/87/11/455568711.db2.gz DYRPFZZZDRSJTB-SECBINFHSA-N 1 0 344.312 3.103 20 10 EGCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc(Br)ccc1O ZINC000185674212 455593350 /nfs/dbraw/zinc/59/33/50/455593350.db2.gz KNAWFDPDMVQYPT-POJUEXTFSA-N 1 0 348.240 3.464 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000283933026 455613353 /nfs/dbraw/zinc/61/33/53/455613353.db2.gz JIUARRZQHSOZGO-LJQANCHMSA-N 1 0 328.456 3.410 20 10 EGCDRO CCOC1CC(O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000277656687 455625918 /nfs/dbraw/zinc/62/59/18/455625918.db2.gz GFHUGLWNKKTQGO-UHFFFAOYSA-N 1 0 327.424 3.079 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000185979791 455667456 /nfs/dbraw/zinc/66/74/56/455667456.db2.gz KPCKOUMHRHVABJ-STQMWFEESA-N 1 0 338.448 3.355 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c(O)c1 ZINC000186025022 455678564 /nfs/dbraw/zinc/67/85/64/455678564.db2.gz FSVJQPQGBLZGET-LBPRGKRZSA-N 1 0 334.366 3.059 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc(F)ccc1O ZINC000186195693 455714146 /nfs/dbraw/zinc/71/41/46/455714146.db2.gz BCUHCCKBCSYHBX-KBXCAEBGSA-N 1 0 342.414 3.373 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000268900199 455723180 /nfs/dbraw/zinc/72/31/80/455723180.db2.gz LCKLBIWYFDQMJL-LMMKCTJWSA-N 1 0 331.504 3.440 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1O ZINC000271735225 455739602 /nfs/dbraw/zinc/73/96/02/455739602.db2.gz OHDMOZUWWGICEY-UHFFFAOYSA-N 1 0 330.472 3.362 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1OC ZINC000292745555 455746310 /nfs/dbraw/zinc/74/63/10/455746310.db2.gz HXDFFHBJYWUGDR-BBATYDOGSA-N 1 0 349.452 3.263 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000271841921 455783968 /nfs/dbraw/zinc/78/39/68/455783968.db2.gz QKZJUVZRFGPSED-GDBMZVCRSA-N 1 0 334.460 3.436 20 10 EGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(OC)ccc1O ZINC000271862462 455791358 /nfs/dbraw/zinc/79/13/58/455791358.db2.gz ZGQJSACOBYTNLZ-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1O ZINC000271902593 455798523 /nfs/dbraw/zinc/79/85/23/455798523.db2.gz ZPBJJGCUMYPPLJ-RISCZKNCSA-N 1 0 328.250 3.198 20 10 EGCDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294877241 455831458 /nfs/dbraw/zinc/83/14/58/455831458.db2.gz FHUWFIRCBIETQY-SFTDATJTSA-N 1 0 346.515 3.427 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)CCc3nccs3)cc2)CC1 ZINC000295002646 455835868 /nfs/dbraw/zinc/83/58/68/455835868.db2.gz RSLPKKNIQMSODJ-UHFFFAOYSA-N 1 0 345.512 3.433 20 10 EGCDRO CN(C)c1ncc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000269355423 455841821 /nfs/dbraw/zinc/84/18/21/455841821.db2.gz MFRNLCHFKRXKQE-UHFFFAOYSA-N 1 0 339.487 3.165 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278782297 455848157 /nfs/dbraw/zinc/84/81/57/455848157.db2.gz PVJZUXRBBPKKOZ-KRWDZBQOSA-N 1 0 339.794 3.407 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269674857 455851076 /nfs/dbraw/zinc/85/10/76/455851076.db2.gz VUVWVDFXTDTGNQ-SFHVURJKSA-N 1 0 330.384 3.246 20 10 EGCDRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295787585 455859716 /nfs/dbraw/zinc/85/97/16/455859716.db2.gz ACCRWQBJMFBFHI-PKOBYXMFSA-N 1 0 327.424 3.490 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3C[C@@H](C)O)cc2)CC1 ZINC000295977491 455865259 /nfs/dbraw/zinc/86/52/59/455865259.db2.gz KXBPOTDIUWZVMH-XLIONFOSSA-N 1 0 346.515 3.427 20 10 EGCDRO CC(C)(C)OC(=O)N1CC=C(CC[NH2+]Cc2ccccc2O)CC1 ZINC000279895362 455876560 /nfs/dbraw/zinc/87/65/60/455876560.db2.gz VPQJWJCDIKDJNY-UHFFFAOYSA-N 1 0 332.444 3.439 20 10 EGCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187230951 455884407 /nfs/dbraw/zinc/88/44/07/455884407.db2.gz HIKVDNAIJINYGZ-GIPNMCIBSA-N 1 0 348.306 3.226 20 10 EGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296690685 456010824 /nfs/dbraw/zinc/01/08/24/456010824.db2.gz HDKVKMDVPPAWKP-NVXWUHKLSA-N 1 0 345.464 3.222 20 10 EGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc2ccccc2c1O ZINC000280871408 456069360 /nfs/dbraw/zinc/06/93/60/456069360.db2.gz CVKGAYOBPKEHJZ-ZDUSSCGKSA-N 1 0 333.453 3.163 20 10 EGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)ccc21 ZINC000287675448 456074672 /nfs/dbraw/zinc/07/46/72/456074672.db2.gz MKLWTJAAZWQPGH-HOCLYGCPSA-N 1 0 328.378 3.269 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000287695229 456076390 /nfs/dbraw/zinc/07/63/90/456076390.db2.gz WXCOKMRERTUOON-AWEZNQCLSA-N 1 0 338.407 3.038 20 10 EGCDRO C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4cccc(O)c43)nc2)C1 ZINC000296967099 456077918 /nfs/dbraw/zinc/07/79/18/456077918.db2.gz RJULCPAYOGLGQA-SJORKVTESA-N 1 0 338.455 3.027 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236733005 456175488 /nfs/dbraw/zinc/17/54/88/456175488.db2.gz ZJLTXCRDTDHIPL-DNVCBOLYSA-N 1 0 326.440 3.467 20 10 EGCDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000273141689 456191842 /nfs/dbraw/zinc/19/18/42/456191842.db2.gz FCBSLPSAZFDNIZ-MRXNPFEDSA-N 1 0 329.440 3.469 20 10 EGCDRO COC[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)OCCc2ccccc21 ZINC000297419333 456216747 /nfs/dbraw/zinc/21/67/47/456216747.db2.gz UNWUFARYYKICTI-GHTZIAJQSA-N 1 0 339.435 3.084 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c(O)c1 ZINC000273370835 456225026 /nfs/dbraw/zinc/22/50/26/456225026.db2.gz FZTBSYVZXWVVFZ-AWEZNQCLSA-N 1 0 333.453 3.096 20 10 EGCDRO C[NH2+]CC1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000237076205 456228544 /nfs/dbraw/zinc/22/85/44/456228544.db2.gz PULKEUATHZRKSX-UHFFFAOYSA-N 1 0 339.483 3.474 20 10 EGCDRO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)c(C)n1-c1cccc(C)c1 ZINC000237101944 456233305 /nfs/dbraw/zinc/23/33/05/456233305.db2.gz SNYHZIBMESBNCW-UHFFFAOYSA-N 1 0 325.456 3.227 20 10 EGCDRO COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000273516657 456236535 /nfs/dbraw/zinc/23/65/35/456236535.db2.gz SOQUUIZQPJWJAC-ZDUSSCGKSA-N 1 0 344.411 3.472 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000274399685 456257797 /nfs/dbraw/zinc/25/77/97/456257797.db2.gz PWUZUOQYDVXGHR-CQSZACIVSA-N 1 0 330.501 3.338 20 10 EGCDRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1O ZINC000274627389 456263588 /nfs/dbraw/zinc/26/35/88/456263588.db2.gz UWJYJQPNHKJJPI-UHFFFAOYSA-N 1 0 339.844 3.129 20 10 EGCDRO COCCOCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275355935 456273277 /nfs/dbraw/zinc/27/32/77/456273277.db2.gz RTWQAQIAQNDAAJ-GFCCVEGCSA-N 1 0 346.265 3.167 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)c1O ZINC000275372091 456274047 /nfs/dbraw/zinc/27/40/47/456274047.db2.gz VVXWCJYGBWMGSP-ZHYXMNDGSA-N 1 0 348.306 3.271 20 10 EGCDRO C[C@H]1CN(c2ccccc2C[N@H+](C)Cc2ccccc2O)CCO1 ZINC000297889913 456318438 /nfs/dbraw/zinc/31/84/38/456318438.db2.gz QWKWQCJTFXCQOR-INIZCTEOSA-N 1 0 326.440 3.249 20 10 EGCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000282134547 456422000 /nfs/dbraw/zinc/42/20/00/456422000.db2.gz KFXLTYBTLYZRRU-TZIWHRDSSA-N 1 0 346.515 3.190 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)c3ccsc3)CC2)cc1 ZINC000305116984 456527120 /nfs/dbraw/zinc/52/71/20/456527120.db2.gz FUZKBZZLOFDWKG-IBGZPJMESA-N 1 0 346.496 3.223 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000353252484 456588337 /nfs/dbraw/zinc/58/83/37/456588337.db2.gz IFACMHKNWNXYDZ-UHFFFAOYSA-N 1 0 335.407 3.221 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc1OC ZINC000276813749 456588910 /nfs/dbraw/zinc/58/89/10/456588910.db2.gz OLOBVRSFVDXHRJ-HNNXBMFYSA-N 1 0 335.444 3.381 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000282867123 456649602 /nfs/dbraw/zinc/64/96/02/456649602.db2.gz UGRVFGQIEHATHV-UHFFFAOYSA-N 1 0 345.487 3.331 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000277104291 456682636 /nfs/dbraw/zinc/68/26/36/456682636.db2.gz LUDCMYFPKNFGNR-MRXNPFEDSA-N 1 0 339.487 3.252 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000283743876 456833600 /nfs/dbraw/zinc/83/36/00/456833600.db2.gz IYJVBDFGNVRDKB-ROUUACIJSA-N 1 0 345.487 3.331 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCCOC(C)(C)C2)c1O ZINC000378345465 457391543 /nfs/dbraw/zinc/39/15/43/457391543.db2.gz KPZVOVWXNKPSLC-UHFFFAOYSA-N 1 0 344.249 3.164 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000365665110 457769712 /nfs/dbraw/zinc/76/97/12/457769712.db2.gz OTRSQEXXBOGXKI-CYBMUJFWSA-N 1 0 347.846 3.361 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1O ZINC000371174991 457817885 /nfs/dbraw/zinc/81/78/85/457817885.db2.gz YICZKEKLVHGNGB-UHFFFAOYSA-N 1 0 337.423 3.481 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1F ZINC000371465561 457946473 /nfs/dbraw/zinc/94/64/73/457946473.db2.gz FQKKWSQZUQKKEK-HNNXBMFYSA-N 1 0 343.450 3.267 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000367690768 457971616 /nfs/dbraw/zinc/97/16/16/457971616.db2.gz ZJXCDNUJDYRIPJ-UXHICEINSA-N 1 0 344.499 3.162 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCCCCn3cccn3)CC2)cc1 ZINC000371558613 457987696 /nfs/dbraw/zinc/98/76/96/457987696.db2.gz ZWNCOUWWRUMZKZ-UHFFFAOYSA-N 1 0 342.487 3.274 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000375638634 458000295 /nfs/dbraw/zinc/00/02/95/458000295.db2.gz ICQNVLMQGRQRHC-UHFFFAOYSA-N 1 0 341.839 3.400 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1F ZINC000371665165 458025556 /nfs/dbraw/zinc/02/55/56/458025556.db2.gz KXBHSOHKHWQPTK-OAHLLOKOSA-N 1 0 330.451 3.080 20 10 EGCDRO COc1cccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1O ZINC000369669971 458310697 /nfs/dbraw/zinc/31/06/97/458310697.db2.gz HOQUESKEVQYIEG-UHFFFAOYSA-N 1 0 345.414 3.110 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1O ZINC000372946499 458356539 /nfs/dbraw/zinc/35/65/39/458356539.db2.gz OHWFMZUIVUNBHE-ZDUSSCGKSA-N 1 0 325.836 3.303 20 10 EGCDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000372973853 458362976 /nfs/dbraw/zinc/36/29/76/458362976.db2.gz KKXWVNLLEVRWHJ-MRXNPFEDSA-N 1 0 347.256 3.431 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3cccc(C)c3)CC2)cc1 ZINC000373138483 458407903 /nfs/dbraw/zinc/40/79/03/458407903.db2.gz IQOAVQGHJZUZCC-OAQYLSRUSA-N 1 0 340.467 3.296 20 10 EGCDRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000729257536 574833367 /nfs/dbraw/zinc/83/33/67/574833367.db2.gz JTHFXAMBFIKUCU-FQEVSTJZSA-N 1 0 339.483 3.452 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cc(Br)ccc2O)c1O ZINC000733900915 575407507 /nfs/dbraw/zinc/40/75/07/575407507.db2.gz POJULNQVZCNUPG-UHFFFAOYSA-N 1 0 338.201 3.159 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1C ZINC000738108691 576289384 /nfs/dbraw/zinc/28/93/84/576289384.db2.gz GUXUUADYMAPBSP-HNNXBMFYSA-N 1 0 334.460 3.450 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1F ZINC000740003257 576530338 /nfs/dbraw/zinc/53/03/38/576530338.db2.gz WWSSXEDXFMJCIK-QGZVFWFLSA-N 1 0 342.462 3.417 20 10 EGCDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000741255292 576669039 /nfs/dbraw/zinc/66/90/39/576669039.db2.gz QHBMMSCAUIMVCT-UHFFFAOYSA-N 1 0 349.431 3.016 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000742246388 576762028 /nfs/dbraw/zinc/76/20/28/576762028.db2.gz ILBXABKVSDHGNV-IRXDYDNUSA-N 1 0 331.504 3.362 20 10 EGCDRO C[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742374697 576775537 /nfs/dbraw/zinc/77/55/37/576775537.db2.gz CXOWXDPJFUUKQF-RDJZCZTQSA-N 1 0 346.475 3.157 20 10 EGCDRO C[C@@H]1CCCN1CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742387306 576777793 /nfs/dbraw/zinc/77/77/93/576777793.db2.gz RBZAJJVLAFFXRM-MRXNPFEDSA-N 1 0 346.475 3.159 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C1CC1 ZINC000745437971 576847981 /nfs/dbraw/zinc/84/79/81/576847981.db2.gz NXOGWTMYUKUVTO-UHFFFAOYSA-N 1 0 343.423 3.472 20 10 EGCDRO Oc1cc(Br)ccc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000691498366 1298133741 /nfs/dbraw/zinc/13/37/41/1298133741.db2.gz SRGRSXMCYRIPFT-CABCVRRESA-N 1 0 339.277 3.261 20 10 EGCDRO COC[C@H]1CCCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000691684008 1298135770 /nfs/dbraw/zinc/13/57/70/1298135770.db2.gz UTWYOWWLAHBTTB-LBPRGKRZSA-N 1 0 328.250 3.403 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000877571688 1299407955 /nfs/dbraw/zinc/40/79/55/1299407955.db2.gz HTOFTOXYPPGGGN-BPQIPLTHSA-N 1 0 329.444 3.184 20 10 EGCDRO Cc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000038635600 1291403959 /nfs/dbraw/zinc/40/39/59/1291403959.db2.gz ZORARFUQBCGSBG-IBGZPJMESA-N 1 0 340.471 3.485 20 10 EGCDRO COc1ccc2ccc(O)c(CN3CC[NH+](CC(C)C)CC3)c2c1 ZINC000069005275 1292224922 /nfs/dbraw/zinc/22/49/22/1292224922.db2.gz VXPRQMCFBLASOG-UHFFFAOYSA-N 1 0 328.456 3.328 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000069043300 1292226303 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EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000834896742 1293168281 /nfs/dbraw/zinc/16/82/81/1293168281.db2.gz NJAMJWINCAZLAX-RLFYNMQTSA-N 1 0 329.444 3.313 20 10 EGCDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834903567 1293171494 /nfs/dbraw/zinc/17/14/94/1293171494.db2.gz KTTBYRDWCBIGJU-JKSUJKDBSA-N 1 0 336.451 3.130 20 10 EGCDRO CCN(CC)c1ccc(CNc2ccn(CC[NH+](C)C)n2)cc1F ZINC000119747239 1293287014 /nfs/dbraw/zinc/28/70/14/1293287014.db2.gz LHXBFAYDTXBRCZ-UHFFFAOYSA-N 1 0 333.455 3.042 20 10 EGCDRO COc1cc(Br)cc(CN(C)Cc2cscn2)c1O ZINC000120206634 1293310426 /nfs/dbraw/zinc/31/04/26/1293310426.db2.gz RAFQGLHNDGOESH-UHFFFAOYSA-N 1 0 343.246 3.252 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1O ZINC000121096463 1293355903 /nfs/dbraw/zinc/35/59/03/1293355903.db2.gz FIDVBIPYPZMECN-QUCCMNQESA-N 1 0 340.467 3.334 20 10 EGCDRO COc1ccc(CCC[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000125282912 1293503328 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CN(C)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000160204165 1294262354 /nfs/dbraw/zinc/26/23/54/1294262354.db2.gz LKIMIIMKHRTJOK-SFHVURJKSA-N 1 0 341.455 3.034 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1O ZINC000160467702 1294269157 /nfs/dbraw/zinc/26/91/57/1294269157.db2.gz AZOVXSQZKFMTBN-GFCCVEGCSA-N 1 0 344.249 3.211 20 10 EGCDRO COCCN(CCC[NH+]1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000161870789 1294301092 /nfs/dbraw/zinc/30/10/92/1294301092.db2.gz HOUIVAHDMAIIJS-UHFFFAOYSA-N 1 0 336.476 3.033 20 10 EGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177352817 1294666993 /nfs/dbraw/zinc/66/69/93/1294666993.db2.gz NPNVFZGIZFZPAC-CQSZACIVSA-N 1 0 338.879 3.412 20 10 EGCDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)c(C)n1-c1cccc(Cl)c1 ZINC000178362659 1294730386 /nfs/dbraw/zinc/73/03/86/1294730386.db2.gz UVLMXGNZZZZILM-UHFFFAOYSA-N 1 0 331.847 3.183 20 10 EGCDRO CCOC(=O)N1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179746118 1294823939 /nfs/dbraw/zinc/82/39/39/1294823939.db2.gz ASWKDFYXGDDUSV-UHFFFAOYSA-N 1 0 345.487 3.341 20 10 EGCDRO CCc1cccc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182315019 1295034553 /nfs/dbraw/zinc/03/45/53/1295034553.db2.gz DLWNLVVZUUFHJB-ZDUSSCGKSA-N 1 0 328.412 3.253 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)c1 ZINC000182382602 1295042555 /nfs/dbraw/zinc/04/25/55/1295042555.db2.gz BFYUZFKDASYVRS-NSHDSACASA-N 1 0 333.359 3.257 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)c1 ZINC000182407763 1295044355 /nfs/dbraw/zinc/04/43/55/1295044355.db2.gz YHHGOEKBUQEQBN-JKSUJKDBSA-N 1 0 345.439 3.108 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000182825734 1295077377 /nfs/dbraw/zinc/07/73/77/1295077377.db2.gz VQMQUWSDDJKVNZ-HNNXBMFYSA-N 1 0 349.471 3.370 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](c3nccn3C)C3CC3)CC2)cc1 ZINC000183266239 1295108394 /nfs/dbraw/zinc/10/83/94/1295108394.db2.gz RKJMOMDSWSBYKZ-IBGZPJMESA-N 1 0 340.471 3.138 20 10 EGCDRO C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000183400741 1295117593 /nfs/dbraw/zinc/11/75/93/1295117593.db2.gz IEDLYANWHQUJRM-SFHVURJKSA-N 1 0 339.483 3.255 20 10 EGCDRO COc1cc(N2CC[NH+](CCC(C)(C)C)CC2)cc(OC)c1OC ZINC000183696791 1295138191 /nfs/dbraw/zinc/13/81/91/1295138191.db2.gz JQAJKCRFBJYIDN-UHFFFAOYSA-N 1 0 336.476 3.271 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000185855149 1295290897 /nfs/dbraw/zinc/29/08/97/1295290897.db2.gz UGEFPZZEUJXXLF-QWHCGFSZSA-N 1 0 346.377 3.435 20 10 EGCDRO COC[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@H](C)O1 ZINC000190209339 1295569416 /nfs/dbraw/zinc/56/94/16/1295569416.db2.gz ZQROHUPPKFDAJM-UONOGXRCSA-N 1 0 345.439 3.253 20 10 EGCDRO C[C@@H](CC[NH2+]Cc1cc(Cl)ccc1O)NC(=O)OC(C)(C)C ZINC000222080484 1296129549 /nfs/dbraw/zinc/12/95/49/1296129549.db2.gz OMCLBMVIKYOOIK-NSHDSACASA-N 1 0 328.840 3.439 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)N(CC)CC)c1cc(Br)ccc1O ZINC000228792886 1296154400 /nfs/dbraw/zinc/15/44/00/1296154400.db2.gz GNKGDYVGCNOVPK-CYBMUJFWSA-N 1 0 343.265 3.064 20 10 EGCDRO CC1CCC(O)(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000232835505 1296176443 /nfs/dbraw/zinc/17/64/43/1296176443.db2.gz SRDUZRUFWLNJOG-UHFFFAOYSA-N 1 0 328.250 3.186 20 10 EGCDRO C[NH2+]CC1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000237076415 1296219126 /nfs/dbraw/zinc/21/91/26/1296219126.db2.gz CKVNFGLXSYPNMA-UHFFFAOYSA-N 1 0 339.483 3.474 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000246371647 1296350593 /nfs/dbraw/zinc/35/05/93/1296350593.db2.gz JJBQZEMGMSMKSV-LJHODMEESA-N 1 0 336.451 3.271 20 10 EGCDRO CC[N@H+](CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C1CC1 ZINC000303123435 1296819225 /nfs/dbraw/zinc/81/92/25/1296819225.db2.gz IYBXGLRXWCKAAP-UHFFFAOYSA-N 1 0 343.446 3.447 20 10 EGCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000326070023 1297232749 /nfs/dbraw/zinc/23/27/49/1297232749.db2.gz LXMQEZGKVCWMNL-VQIMIIECSA-N 1 0 329.488 3.023 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](SC)C2)cc1Cn1cccn1 ZINC000873063341 1297254849 /nfs/dbraw/zinc/25/48/49/1297254849.db2.gz QLTJPFOPHJJYTK-DLBZAZTESA-N 1 0 331.485 3.314 20 10 EGCDRO CCC(CC)(C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)OC ZINC000873128652 1297286035 /nfs/dbraw/zinc/28/60/35/1297286035.db2.gz YKVYGUYQQRYRPA-UHFFFAOYSA-N 1 0 331.460 3.235 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1Cn1cccn1 ZINC000873132135 1297288808 /nfs/dbraw/zinc/28/88/08/1297288808.db2.gz IROBWAPVLPNGER-FQEVSTJZSA-N 1 0 349.434 3.301 20 10 EGCDRO COc1cc(C[NH2+]Cc2c(O)cccc2Cl)cc(OC)c1OC ZINC000378897965 1297525941 /nfs/dbraw/zinc/52/59/41/1297525941.db2.gz AZKCYHNANZDMRA-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382471459 1297559865 /nfs/dbraw/zinc/55/98/65/1297559865.db2.gz PZOSLHRWPVRWOE-ZBFHGGJFSA-N 1 0 334.460 3.484 20 10 EGCDRO C[C@@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)c1ccccc1O ZINC000397237025 1297695369 /nfs/dbraw/zinc/69/53/69/1297695369.db2.gz JEAGUIPFAWJNSL-CQSZACIVSA-N 1 0 326.396 3.064 20 10 EGCDRO Oc1cc(Br)ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000701193809 1298186345 /nfs/dbraw/zinc/18/63/45/1298186345.db2.gz SHSFXHBKVGFKGA-HNNXBMFYSA-N 1 0 339.277 3.215 20 10 EGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C12CCC2 ZINC000713473767 1298270995 /nfs/dbraw/zinc/27/09/95/1298270995.db2.gz CUTHIUXXMOZZES-UONOGXRCSA-N 1 0 326.234 3.202 20 10 EGCDRO C[C@H](CC[NH+](C)C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849766 1298374821 /nfs/dbraw/zinc/37/48/21/1298374821.db2.gz XBBLTMNRRQXSTD-OAHLLOKOSA-N 1 0 334.464 3.015 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccccn3)cc2)CC1 ZINC000876585714 1298848748 /nfs/dbraw/zinc/84/87/48/1298848748.db2.gz UHFOBNMFNYMDEW-NRFANRHFSA-N 1 0 337.467 3.380 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c(O)c1 ZINC000876639543 1298888632 /nfs/dbraw/zinc/88/86/32/1298888632.db2.gz QPJNEZGCCLARDF-UHFFFAOYSA-N 1 0 330.472 3.362 20 10 EGCDRO O=C(NCc1ccccc1O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000748463530 1299015672 /nfs/dbraw/zinc/01/56/72/1299015672.db2.gz UVVRQUGNOPDVFJ-MRXNPFEDSA-N 1 0 343.427 3.012 20 10 EGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(N(CC)CC)cc2)[nH]1 ZINC000876944497 1299079928 /nfs/dbraw/zinc/07/99/28/1299079928.db2.gz MQXHQCSKWASZBX-UHFFFAOYSA-N 1 0 329.444 3.327 20 10 EGCDRO Nc1c(Cl)cccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000876946484 1299081913 /nfs/dbraw/zinc/08/19/13/1299081913.db2.gz RYXPVARKIGGALB-UHFFFAOYSA-N 1 0 349.837 3.188 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c(O)c1 ZINC000876970266 1299095291 /nfs/dbraw/zinc/09/52/91/1299095291.db2.gz NCYGAZMXGVSFGU-KRWDZBQOSA-N 1 0 340.467 3.211 20 10 EGCDRO Oc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877024297 1299117589 /nfs/dbraw/zinc/11/75/89/1299117589.db2.gz YMJXOBADXIQLIY-HXUWFJFHSA-N 1 0 338.451 3.130 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CCOCC1 ZINC000877024714 1299118475 /nfs/dbraw/zinc/11/84/75/1299118475.db2.gz MGNNRMMTSXZRQK-NRFANRHFSA-N 1 0 346.515 3.454 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2c(C)cccc2O)c(N2CCOCC2)c1 ZINC000877094564 1299154881 /nfs/dbraw/zinc/15/48/81/1299154881.db2.gz RVSMOMCOLLZAGY-UHFFFAOYSA-N 1 0 326.440 3.135 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)cc2)CC1 ZINC000877139906 1299178239 /nfs/dbraw/zinc/17/82/39/1299178239.db2.gz FWARZFATOBRLEF-OAQYLSRUSA-N 1 0 344.499 3.039 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C3CCOCC3)cc2)CC1 ZINC000877139905 1299178790 /nfs/dbraw/zinc/17/87/90/1299178790.db2.gz FWARZFATOBRLEF-NRFANRHFSA-N 1 0 344.499 3.039 20 10 EGCDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877349470 1299256382 /nfs/dbraw/zinc/25/63/82/1299256382.db2.gz JHSXSBRSNOWMRK-UHFFFAOYSA-N 1 0 339.483 3.376 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000749799230 1299274418 /nfs/dbraw/zinc/27/44/18/1299274418.db2.gz VDPNRWFQAHJGHQ-HOTGVXAUSA-N 1 0 327.424 3.412 20 10 EGCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877420816 1299288402 /nfs/dbraw/zinc/28/84/02/1299288402.db2.gz FTDPPVKRHDNIKR-SFTDATJTSA-N 1 0 346.515 3.331 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000877503148 1299352225 /nfs/dbraw/zinc/35/22/25/1299352225.db2.gz CLSISZLXQHRBMU-GOSISDBHSA-N 1 0 338.451 3.024 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3cccnc3)cc2)CC1 ZINC000877524389 1299368794 /nfs/dbraw/zinc/36/87/94/1299368794.db2.gz WJRBFRSDPNUQKA-OAQYLSRUSA-N 1 0 337.467 3.380 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(F)c3N)C2)cc1 ZINC000877597970 1299422171 /nfs/dbraw/zinc/42/21/71/1299422171.db2.gz DVQHIIWGYXJCLA-CQSZACIVSA-N 1 0 329.419 3.033 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccsc1 ZINC000751532952 1299564458 /nfs/dbraw/zinc/56/44/58/1299564458.db2.gz IFDVTJZMTXXXKB-HNNXBMFYSA-N 1 0 348.468 3.281 20 10 EGCDRO COC(=O)CCC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000753170372 1299888820 /nfs/dbraw/zinc/88/88/20/1299888820.db2.gz LKBJQABYYACCHR-UHFFFAOYSA-N 1 0 328.412 3.106 20 10 EGCDRO COc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)cc1F ZINC000753860597 1300032186 /nfs/dbraw/zinc/03/21/86/1300032186.db2.gz JWGYCYLXDFELAI-UHFFFAOYSA-N 1 0 330.403 3.035 20 10 EGCDRO COC(=O)CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)C ZINC000754726691 1300202551 /nfs/dbraw/zinc/20/25/51/1300202551.db2.gz UOEAAGHJRPPRRR-UHFFFAOYSA-N 1 0 337.460 3.472 20 10 EGCDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000755057132 1300274754 /nfs/dbraw/zinc/27/47/54/1300274754.db2.gz XYJSJQCJOMLWRG-HKUYNNGSSA-N 1 0 331.504 3.317 20 10 EGCDRO COCC(C)(C)C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000755196744 1300298030 /nfs/dbraw/zinc/29/80/30/1300298030.db2.gz YBSQMYWPDFYQEU-MRXNPFEDSA-N 1 0 340.895 3.272 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2nncn2-c2ccccc2)c2c1c(F)ccc2O ZINC000756400695 1300484679 /nfs/dbraw/zinc/48/46/79/1300484679.db2.gz DMCXATQOSKZCJW-DOMZBBRYSA-N 1 0 338.386 3.450 20 10 EGCDRO C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418358 1300487381 /nfs/dbraw/zinc/48/73/81/1300487381.db2.gz ARROYLMNFDWBOH-QLFBSQMISA-N 1 0 335.448 3.319 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Br)ccc1O ZINC000756431694 1300489743 /nfs/dbraw/zinc/48/97/43/1300489743.db2.gz DJDGALWXNNKFOX-HZMBPMFUSA-N 1 0 327.266 3.146 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000756433366 1300490371 /nfs/dbraw/zinc/49/03/71/1300490371.db2.gz YILHGEPCQUNIAY-HZPDHXFCSA-N 1 0 348.487 3.484 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1C ZINC000756527771 1300514628 /nfs/dbraw/zinc/51/46/28/1300514628.db2.gz VTLNRNPWXXBJIJ-INIZCTEOSA-N 1 0 347.480 3.264 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)c2c1c(F)ccc2O ZINC000756570829 1300523964 /nfs/dbraw/zinc/52/39/64/1300523964.db2.gz BNGKLXWKNIMSKG-FRFSOERESA-N 1 0 348.462 3.313 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cn3cccc(C)c3n2)c1 ZINC000756627912 1300535102 /nfs/dbraw/zinc/53/51/02/1300535102.db2.gz IVIPPNJTTXONQL-AWEZNQCLSA-N 1 0 325.412 3.250 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879647679 1300647424 /nfs/dbraw/zinc/64/74/24/1300647424.db2.gz IDEOKYKEINNCRX-CVEARBPZSA-N 1 0 326.440 3.480 20 10 EGCDRO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879647437 1300647783 /nfs/dbraw/zinc/64/77/83/1300647783.db2.gz CFCPLWCNFFLMOG-HUUCEWRRSA-N 1 0 326.440 3.483 20 10 EGCDRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648531 1300647878 /nfs/dbraw/zinc/64/78/78/1300647878.db2.gz SJDKKWYGAUZXIB-KGLIPLIRSA-N 1 0 328.412 3.387 20 10 EGCDRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879649254 1300649147 /nfs/dbraw/zinc/64/91/47/1300649147.db2.gz MBODPBNDSFZCAP-CQSZACIVSA-N 1 0 328.412 3.470 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)c1ccccc1O ZINC000879649358 1300649396 /nfs/dbraw/zinc/64/93/96/1300649396.db2.gz QYZWGYGFAVVJMH-MJBXVCDLSA-N 1 0 330.403 3.448 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(C)(C)O)C3)cc2)CC1 ZINC000879964609 1300810510 /nfs/dbraw/zinc/81/05/10/1300810510.db2.gz KMXLGORCWLRKLM-GOSISDBHSA-N 1 0 346.515 3.285 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000758497321 1300899164 /nfs/dbraw/zinc/89/91/64/1300899164.db2.gz ZTQZUKHVRXVGIZ-SFHVURJKSA-N 1 0 328.481 3.099 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c(O)c1 ZINC000758552556 1300910655 /nfs/dbraw/zinc/91/06/55/1300910655.db2.gz DMXZMJZAHSJRPX-UHFFFAOYSA-N 1 0 337.423 3.481 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)Nc2cc(C)on2)cc1 ZINC000759642668 1301135426 /nfs/dbraw/zinc/13/54/26/1301135426.db2.gz JWGVHVNJUFTKGB-UHFFFAOYSA-N 1 0 344.459 3.290 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1O ZINC000762616775 1301714482 /nfs/dbraw/zinc/71/44/82/1301714482.db2.gz RZNJSNGRNGVEBK-XPKDYRNWSA-N 1 0 325.499 3.260 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCC(F)(F)C2)c1O ZINC000763521245 1301919215 /nfs/dbraw/zinc/91/92/15/1301919215.db2.gz LUEPFFXJIVETFB-SNVBAGLBSA-N 1 0 336.176 3.441 20 10 EGCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000763952723 1301988096 /nfs/dbraw/zinc/98/80/96/1301988096.db2.gz BEQUNBBJBOVFBM-LJQANCHMSA-N 1 0 329.488 3.166 20 10 EGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)C1 ZINC000765246028 1302226919 /nfs/dbraw/zinc/22/69/19/1302226919.db2.gz RIDFQACDRNAQJV-NQIIRXRSSA-N 1 0 349.478 3.165 20 10 EGCDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765328793 1302247074 /nfs/dbraw/zinc/24/70/74/1302247074.db2.gz YBORQTIZOFJECW-YLJYHZDGSA-N 1 0 342.483 3.460 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765788040 1302326876 /nfs/dbraw/zinc/32/68/76/1302326876.db2.gz IBPMYFBMSMACHY-RTBURBONSA-N 1 0 345.531 3.438 20 10 EGCDRO C[C@H]([NH2+]CCOCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765867288 1302342039 /nfs/dbraw/zinc/34/20/39/1302342039.db2.gz LTQHNZCQGZRELF-AWEZNQCLSA-N 1 0 338.879 3.254 20 10 EGCDRO C[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000765927759 1302351444 /nfs/dbraw/zinc/35/14/44/1302351444.db2.gz GLGFWKAGYNUVPC-QGZVFWFLSA-N 1 0 332.488 3.381 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)c1 ZINC000883286434 1302365305 /nfs/dbraw/zinc/36/53/05/1302365305.db2.gz SUCPFFISPZXTBD-AWEZNQCLSA-N 1 0 325.412 3.081 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(N2CCOCC2)cc1Cl ZINC000766345291 1302434778 /nfs/dbraw/zinc/43/47/78/1302434778.db2.gz JGTHFPBTGGVUOK-CQSZACIVSA-N 1 0 340.895 3.236 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1-n1cncn1 ZINC000768134866 1302831630 /nfs/dbraw/zinc/83/16/30/1302831630.db2.gz VZUJKVDPXZLLAY-UHFFFAOYSA-N 1 0 335.455 3.355 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000768164341 1302842906 /nfs/dbraw/zinc/84/29/06/1302842906.db2.gz YCMQMYUYHNUWNW-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC000768251139 1302865650 /nfs/dbraw/zinc/86/56/50/1302865650.db2.gz HIHWWZKGIIDMIR-UHFFFAOYSA-N 1 0 344.430 3.248 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(O)c1 ZINC000768251972 1302865822 /nfs/dbraw/zinc/86/58/22/1302865822.db2.gz CBOFVBUGNADFHJ-UHFFFAOYSA-N 1 0 347.846 3.162 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000768252165 1302868822 /nfs/dbraw/zinc/86/88/22/1302868822.db2.gz YNJGRIUIZVRWNA-UHFFFAOYSA-N 1 0 344.430 3.248 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)ccc1N1CCOCC1 ZINC000768359966 1302886716 /nfs/dbraw/zinc/88/67/16/1302886716.db2.gz ICEKWXWEGDHVPC-HXUWFJFHSA-N 1 0 341.430 3.394 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccccc3)CC1)[C@@H](O)CO2 ZINC000768442651 1302904095 /nfs/dbraw/zinc/90/40/95/1302904095.db2.gz YERCSSKHOUVQIL-IBGZPJMESA-N 1 0 325.408 3.198 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](C1CC1)[C@@H]1CCc3ccccc31)[C@H](O)CO2 ZINC000768444987 1302907847 /nfs/dbraw/zinc/90/78/47/1302907847.db2.gz ZVXPNTPMUDXGIP-UYAOXDASSA-N 1 0 337.419 3.470 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1)[C@H](O)CO2 ZINC000768447303 1302908004 /nfs/dbraw/zinc/90/80/04/1302908004.db2.gz OCTOYPASWPLNTL-LJQANCHMSA-N 1 0 343.398 3.369 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000769317018 1303091428 /nfs/dbraw/zinc/09/14/28/1303091428.db2.gz PFDXNCGTSLGMSQ-UHFFFAOYSA-N 1 0 335.444 3.345 20 10 EGCDRO COC[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769402522 1303107477 /nfs/dbraw/zinc/10/74/77/1303107477.db2.gz HQLUBMPXIGLKFI-KRWDZBQOSA-N 1 0 347.459 3.444 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c(O)c1 ZINC000769425479 1303110766 /nfs/dbraw/zinc/11/07/66/1303110766.db2.gz PHGPBFUIASBEMB-UHFFFAOYSA-N 1 0 348.393 3.391 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769424149 1303110889 /nfs/dbraw/zinc/11/08/89/1303110889.db2.gz RZCGIENESWTOPU-QAPCUYQASA-N 1 0 347.503 3.488 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769512821 1303133491 /nfs/dbraw/zinc/13/34/91/1303133491.db2.gz RNJXCACMYYHVED-KRWDZBQOSA-N 1 0 333.476 3.242 20 10 EGCDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000769547256 1303138356 /nfs/dbraw/zinc/13/83/56/1303138356.db2.gz AIBSGNKPKHPXFG-UYAOXDASSA-N 1 0 332.488 3.159 20 10 EGCDRO CC(=O)N1CC[N@H+](Cc2cc(Cl)ccc2O)CC12CCCCC2 ZINC000770294429 1303245457 /nfs/dbraw/zinc/24/54/57/1303245457.db2.gz YAAICOWJSPSHJU-UHFFFAOYSA-N 1 0 336.863 3.413 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000770319730 1303247828 /nfs/dbraw/zinc/24/78/28/1303247828.db2.gz BAQGCRLRWSGJEZ-CRAIPNDOSA-N 1 0 331.412 3.472 20 10 EGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000770749645 1303313500 /nfs/dbraw/zinc/31/35/00/1303313500.db2.gz WUDPJETVOMMFLN-WBVHZDCISA-N 1 0 347.459 3.490 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000771388940 1303397350 /nfs/dbraw/zinc/39/73/50/1303397350.db2.gz KVCVMGWLCAHOGH-IAGOWNOFSA-N 1 0 338.879 3.169 20 10 EGCDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886325021 1303433578 /nfs/dbraw/zinc/43/35/78/1303433578.db2.gz QLVHYDAZWAQQAZ-APWZRJJASA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1c(O)cccc1F ZINC000886578258 1303509352 /nfs/dbraw/zinc/50/93/52/1303509352.db2.gz PPYHLLKACYZXDW-DZGCQCFKSA-N 1 0 344.434 3.240 20 10 EGCDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747381 1303583086 /nfs/dbraw/zinc/58/30/86/1303583086.db2.gz RUWOLSRRAMVLRL-HOTGVXAUSA-N 1 0 343.515 3.303 20 10 EGCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000886749047 1303583263 /nfs/dbraw/zinc/58/32/63/1303583263.db2.gz HZRVGJDAQIMCDA-FQEVSTJZSA-N 1 0 343.515 3.447 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000772985275 1303601941 /nfs/dbraw/zinc/60/19/41/1303601941.db2.gz VRIOUMYVSOFNSA-QWHCGFSZSA-N 1 0 338.448 3.182 20 10 EGCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773013192 1303608359 /nfs/dbraw/zinc/60/83/59/1303608359.db2.gz XMPGNULJOIWMAP-INIZCTEOSA-N 1 0 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/nfs/dbraw/zinc/74/28/56/1303742856.db2.gz JEHXOVGXNDSLTC-HXUWFJFHSA-N 1 0 328.431 3.375 20 10 EGCDRO CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000774381401 1303804191 /nfs/dbraw/zinc/80/41/91/1303804191.db2.gz MXLSKPLQKWWNIT-ZDUSSCGKSA-N 1 0 335.275 3.318 20 10 EGCDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774478501 1303815050 /nfs/dbraw/zinc/81/50/50/1303815050.db2.gz FDTZZJSMPAAQLA-IAGOWNOFSA-N 1 0 339.483 3.417 20 10 EGCDRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774481225 1303815169 /nfs/dbraw/zinc/81/51/69/1303815169.db2.gz AHEIEAPKDAPROC-HUUCEWRRSA-N 1 0 341.455 3.439 20 10 EGCDRO Cc1c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnn1CC(C)C ZINC000774824675 1303863973 /nfs/dbraw/zinc/86/39/73/1303863973.db2.gz WTWIDSRFRWXLEH-UHFFFAOYSA-N 1 0 341.503 3.211 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@H]2OC)c1O ZINC000774832152 1303864738 /nfs/dbraw/zinc/86/47/38/1303864738.db2.gz JMTFUZOWBOHXHU-ZWNOBZJWSA-N 1 0 344.249 3.068 20 10 EGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000774829274 1303865156 /nfs/dbraw/zinc/86/51/56/1303865156.db2.gz GXQFWPWZPLKHLH-VQIMIIECSA-N 1 0 347.459 3.490 20 10 EGCDRO COc1c(O)c(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775055209 1303896372 /nfs/dbraw/zinc/89/63/72/1303896372.db2.gz QWYSFPJXBGSRBD-ONGXEEELSA-N 1 0 348.321 3.472 20 10 EGCDRO CCCN(Cc1cc2c(cc1OC)OCO2)c1ccc(C[NH3+])cc1 ZINC000775144427 1303915717 /nfs/dbraw/zinc/91/57/17/1303915717.db2.gz BFYZKQIENBVEOL-UHFFFAOYSA-N 1 0 328.412 3.299 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1cc(Br)ccc1O ZINC000775524610 1303978495 /nfs/dbraw/zinc/97/84/95/1303978495.db2.gz TUBUQMRMVUMVGQ-CQSZACIVSA-N 1 0 336.233 3.494 20 10 EGCDRO CC[C@H]([NH2+][C@H](CCO)C1CC1)c1cc(Br)ccc1O ZINC000775525192 1303979877 /nfs/dbraw/zinc/97/98/77/1303979877.db2.gz DSLPVIAULIGFKC-UONOGXRCSA-N 1 0 328.250 3.356 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000775539469 1303981120 /nfs/dbraw/zinc/98/11/20/1303981120.db2.gz DOKJUMZZYLSYQC-UKRRQHHQSA-N 1 0 341.835 3.008 20 10 EGCDRO CCOc1ccccc1N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000775638469 1304000811 /nfs/dbraw/zinc/00/08/11/1304000811.db2.gz IUPCPPRCVGSPST-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO COc1ccc(O)c(CN2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000775657982 1304006109 /nfs/dbraw/zinc/00/61/09/1304006109.db2.gz JTBZZYZCYAKMET-UHFFFAOYSA-N 1 0 332.488 3.489 20 10 EGCDRO COC(=O)c1cccc(OCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833842 1304046704 /nfs/dbraw/zinc/04/67/04/1304046704.db2.gz NBRSQONFPPNQTP-OAHLLOKOSA-N 1 0 342.439 3.269 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000775833333 1304046786 /nfs/dbraw/zinc/04/67/86/1304046786.db2.gz BPEFBOZECBIFKI-KOHRHEQBSA-N 1 0 331.504 3.440 20 10 EGCDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000775834141 1304046950 /nfs/dbraw/zinc/04/69/50/1304046950.db2.gz KNNOCYMRRFRIHS-ZIAGYGMSSA-N 1 0 331.485 3.342 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775837036 1304047565 /nfs/dbraw/zinc/04/75/65/1304047565.db2.gz QPPDZADUUCUWHT-HZPDHXFCSA-N 1 0 337.467 3.381 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1(C)C ZINC000776229712 1304117607 /nfs/dbraw/zinc/11/76/07/1304117607.db2.gz ATWKERXCCDXZNY-CHWSQXEVSA-N 1 0 328.250 3.366 20 10 EGCDRO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000776248961 1304121171 /nfs/dbraw/zinc/12/11/71/1304121171.db2.gz LYAHDBWMWKWKDW-QFBILLFUSA-N 1 0 346.519 3.329 20 10 EGCDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000776294612 1304130963 /nfs/dbraw/zinc/13/09/63/1304130963.db2.gz FTEODKQSYPLGQI-MRXNPFEDSA-N 1 0 330.453 3.094 20 10 EGCDRO COCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(C)o1 ZINC000778121525 1304399658 /nfs/dbraw/zinc/39/96/58/1304399658.db2.gz UROKOLPCIGPBHZ-IBGZPJMESA-N 1 0 344.455 3.292 20 10 EGCDRO CCCC[C@H](C)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663820 1304553732 /nfs/dbraw/zinc/55/37/32/1304553732.db2.gz VAKLBJBUQUNTBA-KRWDZBQOSA-N 1 0 346.519 3.159 20 10 EGCDRO Cc1ccc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c(O)c1O ZINC000780954859 1304755148 /nfs/dbraw/zinc/75/51/48/1304755148.db2.gz KMLXFXBDINDNLG-HNNXBMFYSA-N 1 0 342.439 3.047 20 10 EGCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccc1 ZINC000891248427 1305000350 /nfs/dbraw/zinc/00/03/50/1305000350.db2.gz LNDNWYJRRCQNCG-UZLBHIALSA-N 1 0 339.483 3.275 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccoc2C2CC2)[NH+](C)C)cc1 ZINC000891248836 1305000829 /nfs/dbraw/zinc/00/08/29/1305000829.db2.gz NMQJXOIFAZQYMZ-GOSISDBHSA-N 1 0 341.455 3.256 20 10 EGCDRO CCn1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1 ZINC000891467898 1305058435 /nfs/dbraw/zinc/05/84/35/1305058435.db2.gz ODDIIZBQIPWXID-GOSISDBHSA-N 1 0 329.444 3.098 20 10 EGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(Br)cc1O ZINC000783314339 1305081204 /nfs/dbraw/zinc/08/12/04/1305081204.db2.gz MGXUTBCPTNMFBK-LLVKDONJSA-N 1 0 327.266 3.290 20 10 EGCDRO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC000783500355 1305100417 /nfs/dbraw/zinc/10/04/17/1305100417.db2.gz VHEUERSTQPARBM-MRXNPFEDSA-N 1 0 325.456 3.411 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3ccc(OC)cc3CC2)c1 ZINC000784679496 1305272442 /nfs/dbraw/zinc/27/24/42/1305272442.db2.gz KGNMAMMIOBGAOO-UHFFFAOYSA-N 1 0 327.424 3.400 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)cc1F ZINC000785548232 1305376486 /nfs/dbraw/zinc/37/64/86/1305376486.db2.gz LLNAPROAQKNQLV-GOSISDBHSA-N 1 0 347.478 3.305 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c(O)c1OC ZINC000892505611 1305411996 /nfs/dbraw/zinc/41/19/96/1305411996.db2.gz DMOCCHUIJDUHNV-GFCCVEGCSA-N 1 0 344.411 3.219 20 10 EGCDRO CCOCc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892554202 1305438028 /nfs/dbraw/zinc/43/80/28/1305438028.db2.gz BEQVXRRRKWSSAT-UHFFFAOYSA-N 1 0 331.412 3.236 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000785988365 1305486756 /nfs/dbraw/zinc/48/67/56/1305486756.db2.gz MBQFWRZYZJNZMC-YWZLYKJASA-N 1 0 328.456 3.490 20 10 EGCDRO COc1ccc(C[NH2+]CCCCc2nc(C)cs2)c(O)c1OC ZINC000892858525 1305581177 /nfs/dbraw/zinc/58/11/77/1305581177.db2.gz SZCQKYLAQDGGQN-UHFFFAOYSA-N 1 0 336.457 3.287 20 10 EGCDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000787436692 1305745486 /nfs/dbraw/zinc/74/54/86/1305745486.db2.gz FXYWSXPICINUAD-NRFANRHFSA-N 1 0 340.467 3.363 20 10 EGCDRO COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788527388 1305964074 /nfs/dbraw/zinc/96/40/74/1305964074.db2.gz TYAHTQITVSNLSY-LBPRGKRZSA-N 1 0 334.382 3.030 20 10 EGCDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000789563949 1306186387 /nfs/dbraw/zinc/18/63/87/1306186387.db2.gz AYAGEVUAKIQQIZ-IBGZPJMESA-N 1 0 347.459 3.322 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)c(O)c1OC ZINC000894119481 1306229885 /nfs/dbraw/zinc/22/98/85/1306229885.db2.gz GRIIYGOAFDRHGR-MSOLQXFVSA-N 1 0 345.439 3.257 20 10 EGCDRO COCCOc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894173058 1306259992 /nfs/dbraw/zinc/25/99/92/1306259992.db2.gz GITIIPLPSKYDRU-UHFFFAOYSA-N 1 0 331.412 3.024 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2nc3cc(F)ccc3n2C)c1O ZINC000894303221 1306332084 /nfs/dbraw/zinc/33/20/84/1306332084.db2.gz GXOBLQBDXZSCSV-UHFFFAOYSA-N 1 0 329.375 3.025 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCc2nc3c(cccc3F)n2C)c1O ZINC000894392543 1308852680 /nfs/dbraw/zinc/85/26/80/1308852680.db2.gz OZDRFTQABQKTIR-UHFFFAOYSA-N 1 0 343.402 3.067 20 10 EGCDRO CCOC(=O)NC1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000791002694 1308907618 /nfs/dbraw/zinc/90/76/18/1308907618.db2.gz OSCCFXAZYRXMNP-UHFFFAOYSA-N 1 0 337.439 3.039 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c1O ZINC000894478354 1308913320 /nfs/dbraw/zinc/91/33/20/1308913320.db2.gz XZOCNHVDKPYDOD-UHFFFAOYSA-N 1 0 325.412 3.194 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cnccc2C(C)(C)C)c(O)c1OC ZINC000894906763 1309123836 /nfs/dbraw/zinc/12/38/36/1309123836.db2.gz BXYKGZAXSUFKJI-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO COC1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOCC1 ZINC000793030780 1309283097 /nfs/dbraw/zinc/28/30/97/1309283097.db2.gz YIMPANFYBOVAPS-UHFFFAOYSA-N 1 0 346.393 3.057 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1O ZINC000895351020 1309294259 /nfs/dbraw/zinc/29/42/59/1309294259.db2.gz FQESWXKALWMNEM-SFHVURJKSA-N 1 0 326.440 3.073 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)c(O)c1 ZINC000793387598 1309361161 /nfs/dbraw/zinc/36/11/61/1309361161.db2.gz IHZQYEVMSGZFLZ-ZDUSSCGKSA-N 1 0 331.412 3.226 20 10 EGCDRO Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000793614774 1309417022 /nfs/dbraw/zinc/41/70/22/1309417022.db2.gz MKZQXJAFKLBYTI-ZBFHGGJFSA-N 1 0 334.213 3.281 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781146 1309515589 /nfs/dbraw/zinc/51/55/89/1309515589.db2.gz FAJPAUSTVMSUCV-LSTHTHJFSA-N 1 0 339.435 3.174 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1ccc(C)cc1O ZINC000794800181 1309597321 /nfs/dbraw/zinc/59/73/21/1309597321.db2.gz AUFSPLMOSAMGRU-GOSISDBHSA-N 1 0 326.440 3.480 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1C(C)C ZINC000795688522 1309808950 /nfs/dbraw/zinc/80/89/50/1309808950.db2.gz FZJKNWNOGMRXLW-FUHWJXTLSA-N 1 0 332.488 3.119 20 10 EGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000795714766 1309816200 /nfs/dbraw/zinc/81/62/00/1309816200.db2.gz DXDYOADXPNVQCR-MRXNPFEDSA-N 1 0 340.345 3.220 20 10 EGCDRO Cc1nc(CC2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)no1 ZINC000896548871 1309912042 /nfs/dbraw/zinc/91/20/42/1309912042.db2.gz ADUUWVZPFBBTDK-UHFFFAOYSA-N 1 0 328.460 3.207 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2nc3c(s2)CCCC3)cc1OC ZINC000896825422 1310038663 /nfs/dbraw/zinc/03/86/63/1310038663.db2.gz RWAUMGJAYOLYLM-UHFFFAOYSA-N 1 0 334.441 3.035 20 10 EGCDRO C[C@]1(CNC(=O)C2=CC(=O)CS2)CC[N@H+](Cc2ccccc2)C1 ZINC000799102525 1310487244 /nfs/dbraw/zinc/48/72/44/1310487244.db2.gz GKXSSDLZMLHZGB-GOSISDBHSA-N 1 0 330.453 3.096 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1COCC[C@H]1OC)c1ccc(C(F)(F)F)cc1O ZINC000897890553 1310506997 /nfs/dbraw/zinc/50/69/97/1310506997.db2.gz SCADMYFNJGEKIW-GZBFAFLISA-N 1 0 333.350 3.256 20 10 EGCDRO CC(C)OC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000800223034 1310706915 /nfs/dbraw/zinc/70/69/15/1310706915.db2.gz OGUXMTLDKWOPCF-HRCADAONSA-N 1 0 338.467 3.342 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)cc1C ZINC000800312255 1310730157 /nfs/dbraw/zinc/73/01/57/1310730157.db2.gz XGHRHBTYXZNGNW-BENRWUELSA-N 1 0 338.451 3.313 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc3nccnc3c2)N(C)C)cc1 ZINC000898447405 1310739357 /nfs/dbraw/zinc/73/93/57/1310739357.db2.gz JHOUUVJNFUIROX-OAQYLSRUSA-N 1 0 349.482 3.088 20 10 EGCDRO CCc1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898449428 1310740757 /nfs/dbraw/zinc/74/07/57/1310740757.db2.gz FGRPEYSPWNIDOO-KRWDZBQOSA-N 1 0 332.517 3.164 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCC23CCOCC3)N(C)C)cc1 ZINC000898450375 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CN(C)c1ccc([C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)N(C)C)cc1 ZINC000903447791 1317700888 /nfs/dbraw/zinc/70/08/88/1317700888.db2.gz CMLSJROXZLDDMH-IYWMVGAKSA-N 1 0 345.531 3.149 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCc3cccc(O)c32)N(C)C)cc1 ZINC000903447841 1317701072 /nfs/dbraw/zinc/70/10/72/1317701072.db2.gz CZBYYUAHHLANNS-OALUTQOASA-N 1 0 339.483 3.338 20 10 EGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000808729894 1317724378 /nfs/dbraw/zinc/72/43/78/1317724378.db2.gz ADFYZEYKFJOHSD-LTBCBRHQSA-N 1 0 339.435 3.416 20 10 EGCDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000809709122 1317870600 /nfs/dbraw/zinc/87/06/00/1317870600.db2.gz MWWRHXZAINNXIK-CQSZACIVSA-N 1 0 326.824 3.098 20 10 EGCDRO CCOc1cccc(C[N@@H+](CCc2ccccc2)CCN(C)C)c1O ZINC000809731420 1317881416 /nfs/dbraw/zinc/88/14/16/1317881416.db2.gz WHLRQZKKVFLUCH-UHFFFAOYSA-N 1 0 342.483 3.397 20 10 EGCDRO COc1cccc(O)c1CN(CC[NH+](C)C)Cc1ccccc1F ZINC000809732954 1317882092 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CC[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810235083 1317982397 /nfs/dbraw/zinc/98/23/97/1317982397.db2.gz LTOFPBZUZJWREY-CABCVRRESA-N 1 0 347.377 3.239 20 10 EGCDRO CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810241022 1317983920 /nfs/dbraw/zinc/98/39/20/1317983920.db2.gz KXVULCNUCFBREK-CQSZACIVSA-N 1 0 347.377 3.383 20 10 EGCDRO CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000810251896 1317986487 /nfs/dbraw/zinc/98/64/87/1317986487.db2.gz BGIGBBJNSDROMZ-HNNXBMFYSA-N 1 0 326.481 3.399 20 10 EGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810257187 1317987878 /nfs/dbraw/zinc/98/78/78/1317987878.db2.gz MSBUITMWFFOGGZ-HZSPNIEDSA-N 1 0 326.868 3.251 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)CN(C)C(C)C)c1O ZINC000811512540 1318189992 /nfs/dbraw/zinc/18/99/92/1318189992.db2.gz NYOIOBSCGUKTBB-LBPRGKRZSA-N 1 0 329.282 3.281 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)CN(C)C(C)C)c1O ZINC000811515956 1318191810 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Cc1cc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)ccc1N(C)C ZINC000815011353 1318865414 /nfs/dbraw/zinc/86/54/14/1318865414.db2.gz KCAOVBQKLCPXNZ-UHFFFAOYSA-N 1 0 337.467 3.325 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](CO)C3CCCCC3)CC2)cc1 ZINC000815150756 1318913749 /nfs/dbraw/zinc/91/37/49/1318913749.db2.gz NEYISIAYSMCSRC-SFHVURJKSA-N 1 0 346.515 3.442 20 10 EGCDRO CC1(C)OCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000815584801 1319022780 /nfs/dbraw/zinc/02/27/80/1319022780.db2.gz PMRVEACXBLTEGO-CZUORRHYSA-N 1 0 340.414 3.414 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C)CC=CC3)C2)cc1C ZINC001022652373 1319042976 /nfs/dbraw/zinc/04/29/76/1319042976.db2.gz SAFAPKZQGUYMGK-CALCHBBNSA-N 1 0 328.456 3.097 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)c3ccco3)C2)cc1C ZINC001022700855 1319075400 /nfs/dbraw/zinc/07/54/00/1319075400.db2.gz HJXIYDDMXGFERL-BHYGNILZSA-N 1 0 342.439 3.137 20 10 EGCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc3ccccc3c1O)C[C@@H](C)O2 ZINC000816594723 1319189999 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20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000817970844 1319481333 /nfs/dbraw/zinc/48/13/33/1319481333.db2.gz FZRBBJGATWOOQZ-WCABBAIRSA-N 1 0 331.229 3.085 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC(C)(C)OC3(C)C)C2)cc1 ZINC000818343643 1319532116 /nfs/dbraw/zinc/53/21/16/1319532116.db2.gz CFUNXUGOKCXBOH-QAPCUYQASA-N 1 0 332.488 3.457 20 10 EGCDRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000818941214 1319581416 /nfs/dbraw/zinc/58/14/16/1319581416.db2.gz GCKGQCDUOKEQFN-QGZVFWFLSA-N 1 0 346.496 3.004 20 10 EGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)c1c(F)cccc1F ZINC000819062513 1319624813 /nfs/dbraw/zinc/62/48/13/1319624813.db2.gz FGZQSPBBKSNLKQ-LBPRGKRZSA-N 1 0 330.425 3.227 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(=O)Nc1ccccc1F ZINC000819077727 1319629675 /nfs/dbraw/zinc/62/96/75/1319629675.db2.gz OHMTYMJGSGJGAO-UHFFFAOYSA-N 1 0 329.419 3.319 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CC(C)C)C2)cc1C ZINC001023812953 1319957274 /nfs/dbraw/zinc/95/72/74/1319957274.db2.gz IAAALRVNSRKQMJ-SFHVURJKSA-N 1 0 332.488 3.378 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000823045207 1320149234 /nfs/dbraw/zinc/14/92/34/1320149234.db2.gz TYIQEDUISNEOTI-KRWDZBQOSA-N 1 0 333.476 3.188 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)ccc1N1CCCCC1 ZINC000823469079 1320181329 /nfs/dbraw/zinc/18/13/29/1320181329.db2.gz NYCAQOPNRRAVAS-LJQANCHMSA-N 1 0 339.487 3.414 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[C@H](C)O1 ZINC000823854996 1320211622 /nfs/dbraw/zinc/21/16/22/1320211622.db2.gz ASTLBQRHRBGCRG-GFOFROLCSA-N 1 0 338.879 3.166 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1 ZINC000823970990 1320219955 /nfs/dbraw/zinc/21/99/55/1320219955.db2.gz KVFNPYYRXUIKNX-GOSISDBHSA-N 1 0 343.496 3.095 20 10 EGCDRO COC(=O)C1(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824203212 1320237663 /nfs/dbraw/zinc/23/76/63/1320237663.db2.gz RZRHDFZQNKRQNY-UHFFFAOYSA-N 1 0 344.480 3.427 20 10 EGCDRO Cc1cc(O)c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000824555050 1320264508 /nfs/dbraw/zinc/26/45/08/1320264508.db2.gz BJDZNRJRMCZFDX-MRXNPFEDSA-N 1 0 338.879 3.041 20 10 EGCDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824655351 1320274798 /nfs/dbraw/zinc/27/47/98/1320274798.db2.gz VZSBZQDPCPWMAI-HNNXBMFYSA-N 1 0 335.448 3.226 20 10 EGCDRO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715506 1320279027 /nfs/dbraw/zinc/27/90/27/1320279027.db2.gz KQRVQUQTGHSPGD-CFVMTHIKSA-N 1 0 340.261 3.280 20 10 EGCDRO Fc1cc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000824942032 1320298714 /nfs/dbraw/zinc/29/87/14/1320298714.db2.gz USEBFGJHYLAXNE-XLIONFOSSA-N 1 0 330.447 3.283 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000824953120 1320299490 /nfs/dbraw/zinc/29/94/90/1320299490.db2.gz HGQQRVKMQXJLKT-VQIMIIECSA-N 1 0 328.412 3.196 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)nc1 ZINC000825306058 1320326034 /nfs/dbraw/zinc/32/60/34/1320326034.db2.gz ZEVWJZNALVEWDO-UHFFFAOYSA-N 1 0 349.434 3.271 20 10 EGCDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825331359 1320328449 /nfs/dbraw/zinc/32/84/49/1320328449.db2.gz MJEXFEFYMKEGHK-HNNXBMFYSA-N 1 0 336.229 3.286 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CCCO)C2)c1O ZINC000825337943 1320329653 /nfs/dbraw/zinc/32/96/53/1320329653.db2.gz JICDLRMAGYISTG-GFCCVEGCSA-N 1 0 328.250 3.058 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000825933606 1320372138 /nfs/dbraw/zinc/37/21/38/1320372138.db2.gz BETACVGALOFANM-KDOFPFPSSA-N 1 0 343.423 3.419 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(Cl)c(C)cc3O)[C@H]2C1 ZINC000825944142 1320373944 /nfs/dbraw/zinc/37/39/44/1320373944.db2.gz RDAHFGGSXAQCRH-JLJPHGGASA-N 1 0 336.863 3.091 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000826122329 1320384788 /nfs/dbraw/zinc/38/47/88/1320384788.db2.gz ZZEDJBBUCRJGHG-HZPDHXFCSA-N 1 0 348.240 3.463 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000826919847 1320414240 /nfs/dbraw/zinc/41/42/40/1320414240.db2.gz BQPDGPYDYWWAPX-OAHLLOKOSA-N 1 0 333.350 3.381 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000827340547 1320445400 /nfs/dbraw/zinc/44/54/00/1320445400.db2.gz GHIWMMUAQYUGPQ-HNNXBMFYSA-N 1 0 325.456 3.483 20 10 EGCDRO CCCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000859007389 1328906666 /nfs/dbraw/zinc/90/66/66/1328906666.db2.gz BKRCZYKXWWVKQQ-CQSZACIVSA-N 1 0 326.824 3.146 20 10 EGCDRO CC[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838895834 1320830835 /nfs/dbraw/zinc/83/08/35/1320830835.db2.gz UKXYBIUKPIEWCY-AWEZNQCLSA-N 1 0 341.293 3.300 20 10 EGCDRO Fc1ccc(CC2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000839134188 1320877298 /nfs/dbraw/zinc/87/72/98/1320877298.db2.gz BWTCMGSIXFWUHV-UHFFFAOYSA-N 1 0 340.442 3.337 20 10 EGCDRO Fc1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc(F)c1N1CCOCC1 ZINC000839145609 1320880351 /nfs/dbraw/zinc/88/03/51/1320880351.db2.gz QSGLZGFXUCDYEA-YJBOKZPZSA-N 1 0 336.426 3.470 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000839192919 1320891403 /nfs/dbraw/zinc/89/14/03/1320891403.db2.gz MOSFOZZUJYXREC-LLVKDONJSA-N 1 0 343.851 3.464 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](c4nc(C)no4)C3)c2c1 ZINC000840123819 1321033686 /nfs/dbraw/zinc/03/36/86/1321033686.db2.gz HYIDYSNOYJCXJW-AWEZNQCLSA-N 1 0 339.395 3.235 20 10 EGCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840757881 1321143072 /nfs/dbraw/zinc/14/30/72/1321143072.db2.gz CYZXACYEBPACOQ-CQSZACIVSA-N 1 0 347.409 3.356 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000840880292 1321168773 /nfs/dbraw/zinc/16/87/73/1321168773.db2.gz BIEKBBZOKDYTPT-SUMWQHHRSA-N 1 0 328.387 3.296 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000840890850 1321171953 /nfs/dbraw/zinc/17/19/53/1321171953.db2.gz PALKEUXAXWJVLS-ZWNOBZJWSA-N 1 0 332.366 3.365 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000840911964 1321175846 /nfs/dbraw/zinc/17/58/46/1321175846.db2.gz WJYKGQWCYOXHMO-INIZCTEOSA-N 1 0 333.476 3.160 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000840938059 1321180820 /nfs/dbraw/zinc/18/08/20/1321180820.db2.gz ZDNWYIPIOAOOTC-UHFFFAOYSA-N 1 0 331.504 3.236 20 10 EGCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840935766 1321181094 /nfs/dbraw/zinc/18/10/94/1321181094.db2.gz CSSOLQXGJBDXGH-HXUWFJFHSA-N 1 0 328.456 3.283 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840956196 1321185359 /nfs/dbraw/zinc/18/53/59/1321185359.db2.gz LRWARCMXDUSZSI-HZPDHXFCSA-N 1 0 348.240 3.463 20 10 EGCDRO CCOc1cccc(CN(CC[NH3+])c2ccc3ccccc3n2)c1O ZINC000840956710 1321186388 /nfs/dbraw/zinc/18/63/88/1321186388.db2.gz COCWCHQBDSLCLB-UHFFFAOYSA-N 1 0 337.423 3.304 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c(O)c1 ZINC000840962550 1321187945 /nfs/dbraw/zinc/18/79/45/1321187945.db2.gz RQJRGBZXNUGKOB-INIZCTEOSA-N 1 0 344.411 3.001 20 10 EGCDRO CC[C@](C[NH2+]Cc1cc(F)ccc1O)(C(=O)OC)c1ccccc1 ZINC000840976731 1321192722 /nfs/dbraw/zinc/19/27/22/1321192722.db2.gz FCUWCGMWTCAGSA-LJQANCHMSA-N 1 0 331.387 3.142 20 10 EGCDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000841004301 1321198132 /nfs/dbraw/zinc/19/81/32/1321198132.db2.gz FOHBRTUXVSKGOY-KRWDZBQOSA-N 1 0 339.399 3.293 20 10 EGCDRO Nc1ccc(CC[NH2+]Cc2cc(Br)cc3c2OCC3)cc1 ZINC000841036540 1321205959 /nfs/dbraw/zinc/20/59/59/1321205959.db2.gz UPXZXTSGQBRREM-UHFFFAOYSA-N 1 0 347.256 3.299 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000841041853 1321207256 /nfs/dbraw/zinc/20/72/56/1321207256.db2.gz FTEFLJGDWBWGGI-GOSISDBHSA-N 1 0 349.425 3.186 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000841041960 1321207368 /nfs/dbraw/zinc/20/73/68/1321207368.db2.gz GKYKENWSKFILFP-KRWDZBQOSA-N 1 0 348.834 3.104 20 10 EGCDRO Cc1ccc2cc(C[NH2+]C[C@@H](N)c3ccc(N(C)C)cc3)ccc2n1 ZINC000841042725 1321207770 /nfs/dbraw/zinc/20/77/70/1321207770.db2.gz MVIYQTVRJWRGON-HXUWFJFHSA-N 1 0 334.467 3.399 20 10 EGCDRO Cc1cc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc2cccnc12 ZINC000841045188 1321208443 /nfs/dbraw/zinc/20/84/43/1321208443.db2.gz JEMVTLZYHNGJAD-FQEVSTJZSA-N 1 0 334.467 3.399 20 10 EGCDRO COc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000841044916 1321208790 /nfs/dbraw/zinc/20/87/90/1321208790.db2.gz ZVYSNIFXUXFULC-GOSISDBHSA-N 1 0 333.863 3.204 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C/C=C\c2ccc(F)cc2F)cc1 ZINC000841046223 1321209145 /nfs/dbraw/zinc/20/91/45/1321209145.db2.gz YBWVVYOLIOSPSH-LLHWWHOWSA-N 1 0 331.410 3.334 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2NCCc3ccccc32)c1O ZINC000841069048 1321212876 /nfs/dbraw/zinc/21/28/76/1321212876.db2.gz LTZWDGMVOQFXRW-INIZCTEOSA-N 1 0 332.831 3.031 20 10 EGCDRO C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841296720 1321248395 /nfs/dbraw/zinc/24/83/95/1321248395.db2.gz YIFCJFYSRPTWLY-CYBMUJFWSA-N 1 0 330.457 3.241 20 10 EGCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841746111 1321305878 /nfs/dbraw/zinc/30/58/78/1321305878.db2.gz CIYIXHFQYQYJNP-GFCCVEGCSA-N 1 0 348.830 3.021 20 10 EGCDRO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841792264 1321313086 /nfs/dbraw/zinc/31/30/86/1321313086.db2.gz BUHINAHQLSQDLR-KRWDZBQOSA-N 1 0 346.519 3.240 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842006738 1321334765 /nfs/dbraw/zinc/33/47/65/1321334765.db2.gz VDFQKOHVWNDCQZ-SFHVURJKSA-N 1 0 346.519 3.205 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(N2CCNC2=O)cc1 ZINC000842900532 1321447863 /nfs/dbraw/zinc/44/78/63/1321447863.db2.gz IBXZAODRKVXCOW-GUYCJALGSA-N 1 0 337.423 3.260 20 10 EGCDRO CC[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843050178 1321461120 /nfs/dbraw/zinc/46/11/20/1321461120.db2.gz ALQCOKMGPWRAMK-IAGOWNOFSA-N 1 0 346.475 3.144 20 10 EGCDRO c1cc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CCCCC3)cc2)ccn1 ZINC000843120323 1321473590 /nfs/dbraw/zinc/47/35/90/1321473590.db2.gz FKWVVRCJKRWZNV-NRFANRHFSA-N 1 0 336.483 3.218 20 10 EGCDRO Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349668 1321503521 /nfs/dbraw/zinc/50/35/21/1321503521.db2.gz IABSKCOMIPIKJL-CQSZACIVSA-N 1 0 341.430 3.373 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000843349729 1321503568 /nfs/dbraw/zinc/50/35/68/1321503568.db2.gz JVNZLJNUAJQTAK-PXNSSMCTSA-N 1 0 341.499 3.079 20 10 EGCDRO CC(C)CO[C@H](C)c1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843350390 1321504065 /nfs/dbraw/zinc/50/40/65/1321504065.db2.gz OEIXCNTVGNXLEQ-CQSZACIVSA-N 1 0 344.459 3.215 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccnn3CC(C)C)CC2)cc1 ZINC000843392156 1321510475 /nfs/dbraw/zinc/51/04/75/1321510475.db2.gz CCXSRWGYZVQVGN-UHFFFAOYSA-N 1 0 342.487 3.260 20 10 EGCDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000843429672 1321517640 /nfs/dbraw/zinc/51/76/40/1321517640.db2.gz ZIDGSIDGUZMRMD-OAHLLOKOSA-N 1 0 344.842 3.184 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2F)c1 ZINC000845972567 1321760150 /nfs/dbraw/zinc/76/01/50/1321760150.db2.gz SBEICRWUCFSPDV-LLVKDONJSA-N 1 0 335.375 3.408 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000846135057 1321770361 /nfs/dbraw/zinc/77/03/61/1321770361.db2.gz AMQJKLCUNFGUEW-RDJZCZTQSA-N 1 0 326.440 3.326 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1O ZINC000846150172 1321771786 /nfs/dbraw/zinc/77/17/86/1321771786.db2.gz ATQYBDQANPNSSV-LBPRGKRZSA-N 1 0 332.356 3.039 20 10 EGCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846151168 1321772269 /nfs/dbraw/zinc/77/22/69/1321772269.db2.gz UTUYQAILPWXAFC-OTSWZTIHSA-N 1 0 325.474 3.131 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1O ZINC000846154518 1321772520 /nfs/dbraw/zinc/77/25/20/1321772520.db2.gz AFOZONGPMPWKSS-CYBMUJFWSA-N 1 0 329.396 3.413 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)c1ccc(N(C)C)cc1 ZINC000846860223 1321818322 /nfs/dbraw/zinc/81/83/22/1321818322.db2.gz IFOHRHQUWGMKHT-DYESRHJHSA-N 1 0 339.483 3.309 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)c1 ZINC000848536545 1321972072 /nfs/dbraw/zinc/97/20/72/1321972072.db2.gz RIHTXNQTMCUJTE-UHFFFAOYSA-N 1 0 337.423 3.493 20 10 EGCDRO CCc1cccc(C[N@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1O ZINC000848881601 1322026269 /nfs/dbraw/zinc/02/62/69/1322026269.db2.gz YYLDBKXTTJSSCF-INIZCTEOSA-N 1 0 343.423 3.021 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)c1O ZINC000848893569 1322033111 /nfs/dbraw/zinc/03/31/11/1322033111.db2.gz XLQLXLKSNSUXBK-UHFFFAOYSA-N 1 0 338.451 3.367 20 10 EGCDRO [NH2+]=C(NCc1ccccc1O)Nc1ccc(OC(F)(F)F)cc1 ZINC000849058247 1322061973 /nfs/dbraw/zinc/06/19/73/1322061973.db2.gz YJMWDVJFDMYCIP-UHFFFAOYSA-N 1 0 325.290 3.427 20 10 EGCDRO [NH2+]=C(NCc1ccccc1O)Nc1cccc(OC(F)(F)F)c1 ZINC000849083208 1322071110 /nfs/dbraw/zinc/07/11/10/1322071110.db2.gz MVUVDEPUKFCEGA-UHFFFAOYSA-N 1 0 325.290 3.427 20 10 EGCDRO [NH2+]=C(NCCCSc1nccs1)N[C@@H]1CCOc2ccccc21 ZINC000849100348 1322078671 /nfs/dbraw/zinc/07/86/71/1322078671.db2.gz PNWQBABNVUFEBC-CYBMUJFWSA-N 1 0 348.497 3.263 20 10 EGCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000919788299 1322107347 /nfs/dbraw/zinc/10/73/47/1322107347.db2.gz IFYGDTXIYBNCKH-HOTGVXAUSA-N 1 0 347.503 3.290 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000849350124 1322116821 /nfs/dbraw/zinc/11/68/21/1322116821.db2.gz QOQOAORQVWXFIQ-IAGOWNOFSA-N 1 0 334.822 3.420 20 10 EGCDRO COc1cc(C[NH2+]Cc2cccc(C(N)=O)c2)c(O)c(C(C)(C)C)c1 ZINC000850020096 1322182526 /nfs/dbraw/zinc/18/25/26/1322182526.db2.gz FSOYBMSFRBIZFT-UHFFFAOYSA-N 1 0 342.439 3.087 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c(O)c(C(C)(C)C)c1 ZINC000850030698 1322185494 /nfs/dbraw/zinc/18/54/94/1322185494.db2.gz LSSFQIGVQRDKNI-ROUUACIJSA-N 1 0 332.488 3.415 20 10 EGCDRO COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000850112144 1322193604 /nfs/dbraw/zinc/19/36/04/1322193604.db2.gz TWYOJUFJAVQSSK-HNNXBMFYSA-N 1 0 327.424 3.325 20 10 EGCDRO COc1cc(C[NH2+]Cc2ncccc2OC)c(O)c(C(C)(C)C)c1 ZINC000850322587 1322228309 /nfs/dbraw/zinc/22/83/09/1322228309.db2.gz YZXSLXFLTOABGA-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850328622 1322229643 /nfs/dbraw/zinc/22/96/43/1322229643.db2.gz VNTZYAWVQKLCFG-HDJSIYSDSA-N 1 0 348.487 3.080 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2cccnc2N2CCCC2)c(O)c1 ZINC000850353129 1322232415 /nfs/dbraw/zinc/23/24/15/1322232415.db2.gz SYKPSCICFASSHY-UHFFFAOYSA-N 1 0 327.428 3.076 20 10 EGCDRO Cn1cc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000850379826 1322236224 /nfs/dbraw/zinc/23/62/24/1322236224.db2.gz GXZPNKVSTGOWJI-UHFFFAOYSA-N 1 0 349.478 3.347 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850494602 1322257331 /nfs/dbraw/zinc/25/73/31/1322257331.db2.gz QVPUQTLRULEKHO-RDJZCZTQSA-N 1 0 349.494 3.186 20 10 EGCDRO COC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000850515366 1322260148 /nfs/dbraw/zinc/26/01/48/1322260148.db2.gz XCOVZICQVIGSFH-ACJLOTCBSA-N 1 0 331.412 3.448 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000850557142 1322265948 /nfs/dbraw/zinc/26/59/48/1322265948.db2.gz LLBZZGWCZIDZMY-WOJBJXKFSA-N 1 0 331.504 3.047 20 10 EGCDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850568260 1322269570 /nfs/dbraw/zinc/26/95/70/1322269570.db2.gz UDSGPAFLCICRPR-PMACEKPBSA-N 1 0 346.515 3.329 20 10 EGCDRO c1ccc(-c2nnc(CC[NH2+]Cc3ccc4c(c3)CCCO4)o2)cc1 ZINC000921809520 1322401529 /nfs/dbraw/zinc/40/15/29/1322401529.db2.gz DDOKUIWZUIFTRD-UHFFFAOYSA-N 1 0 335.407 3.394 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2OCCCO2)cc1 ZINC000922278494 1322491681 /nfs/dbraw/zinc/49/16/81/1322491681.db2.gz IKHFWLQTFWBLRY-UHFFFAOYSA-N 1 0 332.469 3.237 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000851903255 1323111823 /nfs/dbraw/zinc/11/18/23/1323111823.db2.gz WUPUYTVINQJRRN-HUUCEWRRSA-N 1 0 348.487 3.336 20 10 EGCDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000924727325 1323136285 /nfs/dbraw/zinc/13/62/85/1323136285.db2.gz FCFGXWUSDNCKSR-MJGOQNOKSA-N 1 0 343.515 3.303 20 10 EGCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000852634412 1323220780 /nfs/dbraw/zinc/22/07/80/1323220780.db2.gz NCFVYGHKWQDCCB-GJZGRUSLSA-N 1 0 327.403 3.153 20 10 EGCDRO CC[C@@H]([NH2+]C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000852883208 1323249676 /nfs/dbraw/zinc/24/96/76/1323249676.db2.gz UVUVSEQQEJSSKX-CRAIPNDOSA-N 1 0 326.440 3.480 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C2CC=CC2)cc1C ZINC001024909423 1323775295 /nfs/dbraw/zinc/77/52/95/1323775295.db2.gz CTDNLKFIBXOWJU-LJQANCHMSA-N 1 0 342.483 3.441 20 10 EGCDRO CC[C@@H](F)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001025041165 1323843228 /nfs/dbraw/zinc/84/32/28/1323843228.db2.gz UWPYKTLAKUTUIL-IAGOWNOFSA-N 1 0 336.451 3.222 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853555670 1325122153 /nfs/dbraw/zinc/12/21/53/1325122153.db2.gz MYYVCJFHDCJPAZ-MAUKXSAKSA-N 1 0 344.499 3.353 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@]3(C)C=CCC3)C2)cc1C ZINC001027003242 1325142698 /nfs/dbraw/zinc/14/26/98/1325142698.db2.gz OTSBVUPCQXWICG-WIYYLYMNSA-N 1 0 342.483 3.298 20 10 EGCDRO CC[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(C)cc1O ZINC000926907487 1327769757 /nfs/dbraw/zinc/76/97/57/1327769757.db2.gz JZINLQWPIXJLFB-KRWDZBQOSA-N 1 0 347.480 3.388 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000927000930 1327814231 /nfs/dbraw/zinc/81/42/31/1327814231.db2.gz NJHFJTURZOWXHO-QWHCGFSZSA-N 1 0 336.432 3.061 20 10 EGCDRO CCC[C@H](O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000927016030 1327821945 /nfs/dbraw/zinc/82/19/45/1327821945.db2.gz HIAVTGDYZRFKIT-ZBFHGGJFSA-N 1 0 340.895 3.378 20 10 EGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCO[C@H]1CCOC1 ZINC000927081287 1327850256 /nfs/dbraw/zinc/85/02/56/1327850256.db2.gz OBYFXUNCVIXSGI-ICSRJNTNSA-N 1 0 341.451 3.461 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C\c3ccco3)C2)cc1C ZINC000966377691 1328282203 /nfs/dbraw/zinc/28/22/03/1328282203.db2.gz CUMIAMVTQGOBGK-BQLWYNFJSA-N 1 0 340.423 3.001 20 10 EGCDRO C[N@@H+]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@@H](c2ccccc2)C1 ZINC000862130673 1329460772 /nfs/dbraw/zinc/46/07/72/1329460772.db2.gz KSEVAVNUTOPGKP-SJORKVTESA-N 1 0 344.842 3.007 20 10 EGCDRO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1c(O)cccc1Br ZINC000862245897 1329470299 /nfs/dbraw/zinc/47/02/99/1329470299.db2.gz AVRYUVTVSAGSNP-MRXNPFEDSA-N 1 0 348.240 3.246 20 10 EGCDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1C ZINC000862249191 1329471049 /nfs/dbraw/zinc/47/10/49/1329471049.db2.gz YJYMRNNIXGNUGC-ZFWWWQNUSA-N 1 0 325.447 3.335 20 10 EGCDRO CCCN(Cc1c(O)cccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000862399947 1329482908 /nfs/dbraw/zinc/48/29/08/1329482908.db2.gz IJQHPRZRQHNUCU-LBPRGKRZSA-N 1 0 327.266 3.071 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000862482384 1329490388 /nfs/dbraw/zinc/49/03/88/1329490388.db2.gz HESSYHCWLSOXEF-FQEVSTJZSA-N 1 0 327.424 3.275 20 10 EGCDRO Cc1cc(C[NH2+]C[C@@H](O)CCOC(C)C)c(C)n1-c1ccccc1 ZINC000863583212 1329564789 /nfs/dbraw/zinc/56/47/89/1329564789.db2.gz QOOIBLICQZAOGF-FQEVSTJZSA-N 1 0 330.472 3.360 20 10 EGCDRO Cc1cc(C(=O)Cn2ccnc2C[NH3+])c(C)n1-c1ccc2c(c1)CCC2 ZINC000864620822 1329630826 /nfs/dbraw/zinc/63/08/26/1329630826.db2.gz ZREUDSKTDAOMPD-UHFFFAOYSA-N 1 0 348.450 3.121 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(CCOC)s2)cc1 ZINC000865418048 1329694708 /nfs/dbraw/zinc/69/47/08/1329694708.db2.gz HOIWKLFDMNAQMV-UHFFFAOYSA-N 1 0 333.501 3.468 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000866434285 1330111571 /nfs/dbraw/zinc/11/15/71/1330111571.db2.gz KJAXBCSCNQVVMA-HUUCEWRRSA-N 1 0 341.381 3.188 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000866433385 1330111721 /nfs/dbraw/zinc/11/17/21/1330111721.db2.gz BVYJJMQCOVEAIN-DOMZBBRYSA-N 1 0 341.381 3.188 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(Br)cc1O ZINC000866464778 1330115865 /nfs/dbraw/zinc/11/58/65/1330115865.db2.gz YPHMAYTWBWRTMJ-OKTBNZSVSA-N 1 0 342.155 3.117 20 10 EGCDRO C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1O ZINC000868335922 1330272219 /nfs/dbraw/zinc/27/22/19/1330272219.db2.gz MILLOFUCQGRQQC-CQSZACIVSA-N 1 0 345.418 3.024 20 10 EGCDRO CCc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)o1 ZINC000969114768 1336149235 /nfs/dbraw/zinc/14/92/35/1336149235.db2.gz JLGYPFSJTOOMJQ-MRXNPFEDSA-N 1 0 342.439 3.163 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C=C(C)C)C[C@@H]2C)cc1C ZINC001035893909 1343254050 /nfs/dbraw/zinc/25/40/50/1343254050.db2.gz VWNKEHHXDOWQNB-WMZOPIPTSA-N 1 0 330.472 3.296 20 10 EGCDRO CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001036598770 1343570084 /nfs/dbraw/zinc/57/00/84/1343570084.db2.gz ABJDQCLVPCAEBD-XJKSGUPXSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)F)[C@H](C)C2)cc1C ZINC001044414326 1346321642 /nfs/dbraw/zinc/32/16/42/1346321642.db2.gz UFQCXVKLXAJNPF-GDBMZVCRSA-N 1 0 336.451 3.221 20 10 EGCDRO C/C=C(/C)C(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001047784774 1347370333 /nfs/dbraw/zinc/37/03/33/1347370333.db2.gz NEOUGZZEXMJCGB-HQEHOLSNSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3CC=CC3)C[C@H]2C)cc1C ZINC001048191580 1347489270 /nfs/dbraw/zinc/48/92/70/1347489270.db2.gz FPVHVJCFYSJSEH-APWZRJJASA-N 1 0 342.483 3.154 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccsc3)C[C@@H]2C)cc1C ZINC001054366510 1349337369 /nfs/dbraw/zinc/33/73/69/1349337369.db2.gz MATYOKPJPIQSCV-WMLDXEAASA-N 1 0 344.480 3.315 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3coc(C)c3)C[C@H]2C)cc1C ZINC001054601819 1349411695 /nfs/dbraw/zinc/41/16/95/1349411695.db2.gz WGWOAEUVPZFZSD-RDTXWAMCSA-N 1 0 342.439 3.155 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1O ZINC001233106780 1376571022 /nfs/dbraw/zinc/57/10/22/1376571022.db2.gz NPCPSNPYOXBHCJ-LRDDRELGSA-N 1 0 342.277 3.446 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]3C(C)C)C2)cc1C ZINC001086238340 1359035778 /nfs/dbraw/zinc/03/57/78/1359035778.db2.gz HNVZTCQVRSBLQZ-FCGDIQPGSA-N 1 0 344.499 3.280 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3CC(C)(C)C3)C2)cc1C ZINC001086358073 1359076540 /nfs/dbraw/zinc/07/65/40/1359076540.db2.gz OSHMNPGZGGCHKV-SAABIXHNSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CCC3(C)C)C2)cc1C ZINC001091194232 1361003602 /nfs/dbraw/zinc/00/36/02/1361003602.db2.gz LWCKYMHNWWLGEB-DAWZGUTISA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@H]2C)cc1C ZINC001094083965 1361735407 /nfs/dbraw/zinc/73/54/07/1361735407.db2.gz FXJQUCDFKBHTDQ-ZHALLVOQSA-N 1 0 346.515 3.480 20 10 EGCDRO CC/C(C)=C/C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100307970 1364076146 /nfs/dbraw/zinc/07/61/46/1364076146.db2.gz PMPGSEXUIPCTDW-RIYZIHGNSA-N 1 0 330.472 3.344 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC001325326739 1387935693 /nfs/dbraw/zinc/93/56/93/1387935693.db2.gz YLUOGECFAYZSSV-IEBWSBKVSA-N 1 0 346.519 3.192 20 10 EGCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1c1ccsc1 ZINC001203552574 1370167731 /nfs/dbraw/zinc/16/77/31/1370167731.db2.gz OLPMTZMXOGPIAB-GOSISDBHSA-N 1 0 328.437 3.083 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c1O ZINC001203617600 1370189503 /nfs/dbraw/zinc/18/95/03/1370189503.db2.gz RIHVNPNWCZLTJZ-UHFFFAOYSA-N 1 0 348.487 3.308 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)Cc2cncc(Br)c2)c1 ZINC001203670794 1370210087 /nfs/dbraw/zinc/21/00/87/1370210087.db2.gz FQDVSMBUOFYIRQ-UHFFFAOYSA-N 1 0 337.217 3.190 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001203680060 1370215234 /nfs/dbraw/zinc/21/52/34/1370215234.db2.gz BHTHDCMLYXCJPS-INIZCTEOSA-N 1 0 326.440 3.107 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)c(C)c1 ZINC001203680834 1370216470 /nfs/dbraw/zinc/21/64/70/1370216470.db2.gz GQUHFCJQQYWJJP-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)[C@H]1c1ccccc1 ZINC001203684316 1370217265 /nfs/dbraw/zinc/21/72/65/1370217265.db2.gz QXUSKJSVWASJKY-HKUYNNGSSA-N 1 0 341.407 3.137 20 10 EGCDRO CCN(Cc1ccc(O)c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001203879896 1370297588 /nfs/dbraw/zinc/29/75/88/1370297588.db2.gz JSDOLJXUOBAXRC-SFHVURJKSA-N 1 0 326.440 3.194 20 10 EGCDRO COC(=O)[C@@H]1CCN(Cc2ccc(O)c(O)c2)[C@@H](c2ccccc2)C1 ZINC001203881253 1370297925 /nfs/dbraw/zinc/29/79/25/1370297925.db2.gz NYKXKNXNPDTFNR-IAGOWNOFSA-N 1 0 341.407 3.224 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)cc1 ZINC001203934128 1370321161 /nfs/dbraw/zinc/32/11/61/1370321161.db2.gz NXTYGMLMDISAKY-UHFFFAOYSA-N 1 0 336.435 3.414 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)cc1 ZINC001203940342 1370323388 /nfs/dbraw/zinc/32/33/88/1370323388.db2.gz WQDWKQUOYVXTRN-UHFFFAOYSA-N 1 0 344.503 3.163 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)cc1 ZINC001203943398 1370324471 /nfs/dbraw/zinc/32/44/71/1370324471.db2.gz ZGXPJOBZSILZCL-UHFFFAOYSA-N 1 0 337.458 3.448 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)cc1 ZINC001203946012 1370324719 /nfs/dbraw/zinc/32/47/19/1370324719.db2.gz RLXPJUVRRXWGNC-GOSISDBHSA-N 1 0 329.488 3.023 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)cc1 ZINC001203946010 1370325125 /nfs/dbraw/zinc/32/51/25/1370325125.db2.gz RLFQASPBTNJNFS-LJQANCHMSA-N 1 0 343.515 3.414 20 10 EGCDRO C[N@H+](Cc1cccc(F)c1)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204277566 1370430230 /nfs/dbraw/zinc/43/02/30/1370430230.db2.gz FNZICWFJOSINAX-UHFFFAOYSA-N 1 0 344.430 3.333 20 10 EGCDRO Cc1cnc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)s1 ZINC001204321227 1370443745 /nfs/dbraw/zinc/44/37/45/1370443745.db2.gz HUIPYYYEOJCKBZ-UHFFFAOYSA-N 1 0 342.512 3.374 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205912850 1370908206 /nfs/dbraw/zinc/90/82/06/1370908206.db2.gz DBIWQEHHVBAZAR-VXGBXAGGSA-N 1 0 327.266 3.022 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nnnn1-c1ccccc1 ZINC001116568089 1370938346 /nfs/dbraw/zinc/93/83/46/1370938346.db2.gz MROJVAJXPVQFCH-UKRRQHHQSA-N 1 0 335.411 3.014 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccccc1S(C)(=O)=O ZINC001326045999 1388105505 /nfs/dbraw/zinc/10/55/05/1388105505.db2.gz MYLWMIMLGJXMLG-ZFWWWQNUSA-N 1 0 345.464 3.442 20 10 EGCDRO [NH3+][C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC(F)(F)C1 ZINC001206131432 1370967022 /nfs/dbraw/zinc/96/70/22/1370967022.db2.gz FHTVSAWRHCHUNA-INIZCTEOSA-N 1 0 348.393 3.140 20 10 EGCDRO FC(F)(F)c1ccn(CC[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001119090690 1371275495 /nfs/dbraw/zinc/27/54/95/1371275495.db2.gz KTGATMLHMNWCLE-UHFFFAOYSA-N 1 0 338.377 3.292 20 10 EGCDRO CC(C)(C)OC(=O)NC12CC(C[N@@H+]3CCc4cccc(O)c4C3)(C1)C2 ZINC001207268931 1371345005 /nfs/dbraw/zinc/34/50/05/1371345005.db2.gz PLDKIPUHFPUHAX-UHFFFAOYSA-N 1 0 344.455 3.198 20 10 EGCDRO COc1ccc(N2CC[NH+](CCc3cccc(OC)c3)CC2)cc1 ZINC001207425037 1371391484 /nfs/dbraw/zinc/39/14/84/1371391484.db2.gz DXRIXJOVWBAAPU-UHFFFAOYSA-N 1 0 326.440 3.069 20 10 EGCDRO CC[C@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC001209459796 1372112170 /nfs/dbraw/zinc/11/21/70/1372112170.db2.gz CDBSNYRENBKCBS-MRXNPFEDSA-N 1 0 335.492 3.488 20 10 EGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209517873 1372127009 /nfs/dbraw/zinc/12/70/09/1372127009.db2.gz HSSUYKSYPFRTHG-SFHVURJKSA-N 1 0 326.440 3.479 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)cc1 ZINC001209519044 1372127154 /nfs/dbraw/zinc/12/71/54/1372127154.db2.gz QRXYSVIUNCAHSL-OAQYLSRUSA-N 1 0 339.483 3.001 20 10 EGCDRO CCCCC[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211344663 1372536694 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COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285829 1378041229 /nfs/dbraw/zinc/04/12/29/1378041229.db2.gz RVHYXOQAFJYTGQ-LJQANCHMSA-N 1 0 332.488 3.037 20 10 EGCDRO CCO[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@H]1Cc1cnn(C)c1 ZINC001140340209 1378049190 /nfs/dbraw/zinc/04/91/90/1378049190.db2.gz SKCXLXMLHCXMJH-WMZOPIPTSA-N 1 0 349.862 3.001 20 10 EGCDRO O=C([C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)N1CCCCC1 ZINC001140345701 1378050652 /nfs/dbraw/zinc/05/06/52/1378050652.db2.gz YEALXYIRSDTDDH-CQSZACIVSA-N 1 0 336.863 3.270 20 10 EGCDRO COc1ccccc1N1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140461011 1378066196 /nfs/dbraw/zinc/06/61/96/1378066196.db2.gz AYZMUMCFRNCOFD-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464317 1378066809 /nfs/dbraw/zinc/06/68/09/1378066809.db2.gz KZOJCUBDCYXKCH-UHFFFAOYSA-N 1 0 339.867 3.061 20 10 EGCDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001140468567 1378068958 /nfs/dbraw/zinc/06/89/58/1378068958.db2.gz OWSWKSGONMBECI-HNNXBMFYSA-N 1 0 334.803 3.103 20 10 EGCDRO CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001273285280 1378094606 /nfs/dbraw/zinc/09/46/06/1378094606.db2.gz PBJACZSEMBVALG-IFXJQAMLSA-N 1 0 334.435 3.287 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c1 ZINC001140620061 1378099329 /nfs/dbraw/zinc/09/93/29/1378099329.db2.gz AYMROZNRVVTQOT-IBGZPJMESA-N 1 0 336.435 3.154 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001140623605 1378100180 /nfs/dbraw/zinc/10/01/80/1378100180.db2.gz XYVHDZDXRSANJR-DOTOQJQBSA-N 1 0 346.471 3.389 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001140660214 1378108299 /nfs/dbraw/zinc/10/82/99/1378108299.db2.gz JPKORLIMQHBPHC-UHFFFAOYSA-N 1 0 336.426 3.376 20 10 EGCDRO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140742359 1378128386 /nfs/dbraw/zinc/12/83/86/1378128386.db2.gz LTCMKCSKIFNQMH-UHFFFAOYSA-N 1 0 326.440 3.345 20 10 EGCDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1ccc(O)c(C)c1O ZINC001140748808 1378129027 /nfs/dbraw/zinc/12/90/27/1378129027.db2.gz KHPDJZMTGLTTRA-AWEZNQCLSA-N 1 0 345.439 3.452 20 10 EGCDRO Cc1c(O)ccc(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1O ZINC001140747374 1378129110 /nfs/dbraw/zinc/12/91/10/1378129110.db2.gz ASRDAUUMUBEASY-INIZCTEOSA-N 1 0 326.440 3.285 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c(Cl)c1 ZINC001140926847 1378183439 /nfs/dbraw/zinc/18/34/39/1378183439.db2.gz XIQYGNJNPOODQP-MRXNPFEDSA-N 1 0 346.862 3.239 20 10 EGCDRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140948534 1378188087 /nfs/dbraw/zinc/18/80/87/1378188087.db2.gz MHPORXJSNBRIOY-UHFFFAOYSA-N 1 0 332.444 3.145 20 10 EGCDRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2c3cccc2F)c(O)c1 ZINC001140949392 1378189800 /nfs/dbraw/zinc/18/98/00/1378189800.db2.gz AQTYIRCYTYPXLR-UHFFFAOYSA-N 1 0 340.398 3.326 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)c(O)c1 ZINC001140950741 1378190291 /nfs/dbraw/zinc/19/02/91/1378190291.db2.gz GFMAWILCVAIFMH-UHFFFAOYSA-N 1 0 341.333 3.482 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1c1ccccc1 ZINC001140954487 1378191676 /nfs/dbraw/zinc/19/16/76/1378191676.db2.gz UIEYJVHZLYVMFA-QZTJIDSGSA-N 1 0 325.408 3.089 20 10 EGCDRO CCCCCC[NH+]1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028360 1378213285 /nfs/dbraw/zinc/21/32/85/1378213285.db2.gz LVZGOQFTGBCQJZ-UHFFFAOYSA-N 1 0 336.476 3.107 20 10 EGCDRO c1c(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc2c3c1CCCN3CCC2 ZINC001141076608 1378232686 /nfs/dbraw/zinc/23/26/86/1378232686.db2.gz WYGDBOGOSRUDEY-OAQYLSRUSA-N 1 0 339.527 3.446 20 10 EGCDRO c1c(CN2CC[C@@H]([NH+]3CCCC3)C2)cc2c3c1CCCN3CCC2 ZINC001141075972 1378232923 /nfs/dbraw/zinc/23/29/23/1378232923.db2.gz IJITWTCLFORVLQ-HXUWFJFHSA-N 1 0 325.500 3.056 20 10 EGCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078071 1378233820 /nfs/dbraw/zinc/23/38/20/1378233820.db2.gz JPEPTOWJDUIBGH-FQEVSTJZSA-N 1 0 325.500 3.054 20 10 EGCDRO F[C@H]1CSC2(C[NH+](Cc3cc4c5c(c3)CCCN5CCC4)C2)C1 ZINC001141078012 1378233847 /nfs/dbraw/zinc/23/38/47/1378233847.db2.gz IQRDQAOOXWNJEC-QGZVFWFLSA-N 1 0 332.488 3.415 20 10 EGCDRO CN1CCOc2cc(C[N@H+]3CCN(C)[C@@H](c4ccccc4)C3)ccc21 ZINC001141143418 1378248176 /nfs/dbraw/zinc/24/81/76/1378248176.db2.gz YJHBPHOLQQKEBL-HXUWFJFHSA-N 1 0 337.467 3.004 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141156968 1378253379 /nfs/dbraw/zinc/25/33/79/1378253379.db2.gz ZMAPHNLCNFQPMQ-LJQANCHMSA-N 1 0 348.443 3.073 20 10 EGCDRO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1cc(O)ccc1O ZINC001141161525 1378254113 /nfs/dbraw/zinc/25/41/13/1378254113.db2.gz TYJGJGZYTZYCIK-CQSZACIVSA-N 1 0 331.412 3.144 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001142534315 1378454116 /nfs/dbraw/zinc/45/41/16/1378454116.db2.gz DYFOEEDSWDIVGC-JKSUJKDBSA-N 1 0 328.378 3.069 20 10 EGCDRO Cc1ccnc(N2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)n1 ZINC001143117249 1378543221 /nfs/dbraw/zinc/54/32/21/1378543221.db2.gz ZNBFJHVLKBLKLN-UHFFFAOYSA-N 1 0 340.471 3.110 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1O ZINC001143117117 1378543640 /nfs/dbraw/zinc/54/36/40/1378543640.db2.gz UOFQMZKBNOLIQC-MRXNPFEDSA-N 1 0 330.472 3.180 20 10 EGCDRO C[N@H+](Cc1cccc(Br)c1)Cc1c(O)cc(O)cc1O ZINC001144504018 1378738887 /nfs/dbraw/zinc/73/88/87/1378738887.db2.gz IKJPXAXEKLDVAQ-UHFFFAOYSA-N 1 0 338.201 3.198 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC3(CCc4ccccc43)CC2)c(O)c1 ZINC001144504552 1378738921 /nfs/dbraw/zinc/73/89/21/1378738921.db2.gz UXZPYIVUCRICKR-UHFFFAOYSA-N 1 0 325.408 3.283 20 10 EGCDRO CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146662468 1378892456 /nfs/dbraw/zinc/89/24/56/1378892456.db2.gz GVYUUMXYFAUVPX-CHWSQXEVSA-N 1 0 333.436 3.136 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C3CC3)s2)cc1C ZINC001147733895 1379068772 /nfs/dbraw/zinc/06/87/72/1379068772.db2.gz WURKVWZQOQUWOM-UHFFFAOYSA-N 1 0 344.480 3.462 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)c2cccc(F)c2)cc1C ZINC001151660533 1379759818 /nfs/dbraw/zinc/75/98/18/1379759818.db2.gz QSEWYAZDNDQYEI-HNNXBMFYSA-N 1 0 344.430 3.152 20 10 EGCDRO Cc1cccc2ncc(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc12 ZINC001156656069 1380605302 /nfs/dbraw/zinc/60/53/02/1380605302.db2.gz NSARKGYVFCXNFV-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO COc1cc(Cl)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001156656140 1380605467 /nfs/dbraw/zinc/60/54/67/1380605467.db2.gz POKBDPZHIGQKHG-UHFFFAOYSA-N 1 0 346.862 3.108 20 10 EGCDRO CCc1cc(Cl)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156659384 1380605912 /nfs/dbraw/zinc/60/59/12/1380605912.db2.gz KYXWNMGLKZTIGA-UHFFFAOYSA-N 1 0 345.878 3.056 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C12CCC([NH3+])(CC1)C2 ZINC001157435673 1380892037 /nfs/dbraw/zinc/89/20/37/1380892037.db2.gz VCRAASKWQVJLHL-RPCJCACASA-N 1 0 342.483 3.410 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cccc(C)c2F)cc1C ZINC001158572015 1381306504 /nfs/dbraw/zinc/30/65/04/1381306504.db2.gz NDSZHWUKYVAVKL-UHFFFAOYSA-N 1 0 344.430 3.361 20 10 EGCDRO O=C1c2ccccc2C(=O)c2cc(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)ccc21 ZINC001159438549 1381794329 /nfs/dbraw/zinc/79/43/29/1381794329.db2.gz PZTCOQREYIXJMO-OLZOCXBDSA-N 1 0 330.387 3.282 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC001328659718 1388800192 /nfs/dbraw/zinc/80/01/92/1388800192.db2.gz MUMZCJDVMDBEDK-UONOGXRCSA-N 1 0 337.485 3.053 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C(C)(F)F)CC2)cc1C ZINC001163148555 1382977133 /nfs/dbraw/zinc/97/71/33/1382977133.db2.gz INDKXGFIWKFJLL-UHFFFAOYSA-N 1 0 340.414 3.035 20 10 EGCDRO Cc1ccc2nc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2n1 ZINC001167427127 1383630711 /nfs/dbraw/zinc/63/07/11/1383630711.db2.gz ZBTXGGHGEGYPCB-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO COc1ccc([C@H]2C[C@@H]([NH2+]CCc3ccc(O)c(O)c3)CCO2)cc1 ZINC001168594570 1383944388 /nfs/dbraw/zinc/94/43/88/1383944388.db2.gz IAVKJUFXKHBKPK-OXJNMPFZSA-N 1 0 343.423 3.159 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C(F)F)cc1C ZINC001168700726 1383972229 /nfs/dbraw/zinc/97/22/29/1383972229.db2.gz IQWKOFZRIIVOIS-CYBMUJFWSA-N 1 0 328.403 3.033 20 10 EGCDRO C[C@H]1C[C@H]([N@@H+]2CCc3cccc(O)c3C2)CN1C(=O)OC(C)(C)C ZINC001168872653 1384041276 /nfs/dbraw/zinc/04/12/76/1384041276.db2.gz NXGOJEXWRBUXAA-ZFWWWQNUSA-N 1 0 332.444 3.148 20 10 EGCDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172837103 1384862410 /nfs/dbraw/zinc/86/24/10/1384862410.db2.gz FCFJBFHMFAPVII-BMLIUANNSA-N 1 0 339.794 3.145 20 10 EGCDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172839051 1384862980 /nfs/dbraw/zinc/86/29/80/1384862980.db2.gz ALUYZDPHEMXFMK-SNVBAGLBSA-N 1 0 339.794 3.359 20 10 EGCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(O)c(O)c1)CC2 ZINC001172913470 1384876700 /nfs/dbraw/zinc/87/67/00/1384876700.db2.gz WBKRQEAWPKLMJS-HNNXBMFYSA-N 1 0 328.368 3.043 20 10 EGCDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccc(C)c2O)c1F ZINC001173184511 1384932590 /nfs/dbraw/zinc/93/25/90/1384932590.db2.gz QSRAIQILJMMYJC-LBPRGKRZSA-N 1 0 348.374 3.477 20 10 EGCDRO COC(=O)CCCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001173445817 1384971872 /nfs/dbraw/zinc/97/18/72/1384971872.db2.gz RGJDOKCFYBJRAD-LLVKDONJSA-N 1 0 344.249 3.366 20 10 EGCDRO CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001176795857 1385703129 /nfs/dbraw/zinc/70/31/29/1385703129.db2.gz CLOKOSDKHKVRPC-CQSZACIVSA-N 1 0 347.463 3.383 20 10 EGCDRO CC[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC001319971345 1386427921 /nfs/dbraw/zinc/42/79/21/1386427921.db2.gz UUPCUSRDGVQXCP-APWZRJJASA-N 1 0 331.504 3.442 20 10 EGCDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689286 1386554175 /nfs/dbraw/zinc/55/41/75/1386554175.db2.gz JAZRQNOUMKPOSE-FSNWXROXSA-N 1 0 338.407 3.246 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC(=O)Nc1ccccn1 ZINC001321026607 1386787313 /nfs/dbraw/zinc/78/73/13/1386787313.db2.gz CFZNAMNHHCMYRD-KGLIPLIRSA-N 1 0 325.412 3.262 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC001321905099 1387007214 /nfs/dbraw/zinc/00/72/14/1387007214.db2.gz QPSYTQIYFCRIFW-UONOGXRCSA-N 1 0 337.485 3.196 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181981235 1387086502 /nfs/dbraw/zinc/08/65/02/1387086502.db2.gz WGFYEQKCHIFCNI-KXBFYZLASA-N 1 0 344.499 3.479 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)c(O)c1 ZINC001331075831 1389621973 /nfs/dbraw/zinc/62/19/73/1389621973.db2.gz WZRIZZICWFWRKW-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001331706669 1389857246 /nfs/dbraw/zinc/85/72/46/1389857246.db2.gz IDCVUPOYRUUJKV-HKUYNNGSSA-N 1 0 334.529 3.364 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CCOCC2)c2c1c(F)ccc2O ZINC001339286140 1389974677 /nfs/dbraw/zinc/97/46/77/1389974677.db2.gz HZPLEBDTPWABRM-IVMMDQJWSA-N 1 0 337.435 3.094 20 10 EGCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001341553378 1390501498 /nfs/dbraw/zinc/50/14/98/1390501498.db2.gz LCTQZEDWTNDNEU-GOSISDBHSA-N 1 0 329.488 3.025 20 10 EGCDRO C[N@H+](Cc1ccc(N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC001334774195 1390586215 /nfs/dbraw/zinc/58/62/15/1390586215.db2.gz GIIWGSMAIRNWDY-INIZCTEOSA-N 1 0 335.245 3.197 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1O ZINC001342935215 1390675069 /nfs/dbraw/zinc/67/50/69/1390675069.db2.gz OMBFFMIAUKOOGR-IUCAKERBSA-N 1 0 338.757 3.072 20 10 EGCDRO CN(C)c1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC001344366805 1390786971 /nfs/dbraw/zinc/78/69/71/1390786971.db2.gz QORSXUQYFYOIFZ-MRXNPFEDSA-N 1 0 341.421 3.442 20 10 EGCDRO CCN(CC)c1ccc(CN2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001353604596 1392048295 /nfs/dbraw/zinc/04/82/95/1392048295.db2.gz LOJOPSZJRXSXSB-UHFFFAOYSA-N 1 0 345.531 3.266 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)/C=C\c2ccc[nH]2)cc1C ZINC001753004532 1440265521 /nfs/dbraw/zinc/26/55/21/1440265521.db2.gz FLDCYKYTMDSTAG-DZFYGRHCSA-N 1 0 341.455 3.030 20 10 EGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccc(Cl)o2)cc1C ZINC001753169905 1440336457 /nfs/dbraw/zinc/33/64/57/1440336457.db2.gz ALYZJOVUGQBEKN-UHFFFAOYSA-N 1 0 336.819 3.112 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H](C)c2ccco2)cc1C ZINC001754169119 1440546743 /nfs/dbraw/zinc/54/67/43/1440546743.db2.gz GKKGIBVFPUCZRT-YIEVGGLXSA-N 1 0 342.439 3.162 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)C(C)(C)C(F)F)cc1C ZINC001754168608 1440546817 /nfs/dbraw/zinc/54/68/17/1440546817.db2.gz OBQBYLHYYXBBIG-AATRIKPKSA-N 1 0 340.414 3.057 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC2(C)C)cc1C ZINC001755494532 1440861814 /nfs/dbraw/zinc/86/18/14/1440861814.db2.gz VSDRLUIXHUTXKL-WBVHZDCISA-N 1 0 332.488 3.424 20 10 EGCDRO CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755572300 1440877341 /nfs/dbraw/zinc/87/73/41/1440877341.db2.gz CRENNOYBEPSZAB-MRXNPFEDSA-N 1 0 345.447 3.089 20 10 EGCDRO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593219906 994305008 /nfs/dbraw/zinc/30/50/08/994305008.db2.gz PNXKFQIVWUFDKA-XIWWETDGSA-N 1 0 332.444 3.148 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(O)c1 ZINC000877037634 1126121707 /nfs/dbraw/zinc/12/17/07/1126121707.db2.gz TYDOVWHJDMMUOU-WBVHZDCISA-N 1 0 339.357 3.325 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc2ccccc2c1O ZINC000297439770 202110226 /nfs/dbraw/zinc/11/02/26/202110226.db2.gz VZLGSKBFIIKPKK-DOTOQJQBSA-N 1 0 328.456 3.043 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000282899425 456659358 /nfs/dbraw/zinc/65/93/58/456659358.db2.gz UDCJOJYPAYTKRN-MRXNPFEDSA-N 1 0 348.240 3.207 20 10 EGCDRO Nc1ccc(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000237898309 455231125 /nfs/dbraw/zinc/23/11/25/455231125.db2.gz MMRBPYPPETZADF-UHFFFAOYSA-N 1 0 329.488 3.116 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180717796 455232912 /nfs/dbraw/zinc/23/29/12/455232912.db2.gz WDCGJONPACISRW-ZBFHGGJFSA-N 1 0 347.411 3.091 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)o1 ZINC000183392758 455287110 /nfs/dbraw/zinc/28/71/10/455287110.db2.gz PCWIDSWHZCERSC-DOTOQJQBSA-N 1 0 330.428 3.018 20 10 EGCDRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1O ZINC000183390836 455287657 /nfs/dbraw/zinc/28/76/57/455287657.db2.gz XXPZKAGCEGCUPE-LPHOPBHVSA-N 1 0 326.440 3.116 20 10 EGCDRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1O ZINC000183665551 455318953 /nfs/dbraw/zinc/31/89/53/455318953.db2.gz FEVDZHIXFNGAER-RDTXWAMCSA-N 1 0 339.439 3.015 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000090181563 454290468 /nfs/dbraw/zinc/29/04/68/454290468.db2.gz SYPXNRMSQJQYBC-NVXWUHKLSA-N 1 0 327.472 3.091 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000121140208 454397320 /nfs/dbraw/zinc/39/73/20/454397320.db2.gz GTXZDLWDMPPADA-GHTZIAJQSA-N 1 0 341.451 3.279 20 10 EGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000121319851 454420105 /nfs/dbraw/zinc/42/01/05/454420105.db2.gz QWLHWEPYGPHVJB-UHFFFAOYSA-N 1 0 326.440 3.169 20 10 EGCDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)C1 ZINC000091949048 454493073 /nfs/dbraw/zinc/49/30/73/454493073.db2.gz DYSOCQUFYKVQPH-KRWDZBQOSA-N 1 0 343.515 3.223 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)c1O ZINC000106481592 454696591 /nfs/dbraw/zinc/69/65/91/454696591.db2.gz FWRQEXLOXUYIAI-ZDUSSCGKSA-N 1 0 331.412 3.139 20 10 EGCDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093317106 454702212 /nfs/dbraw/zinc/70/22/12/454702212.db2.gz XTPXHIQTQVKMPX-FQEVSTJZSA-N 1 0 332.488 3.304 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)c1O ZINC000093688913 454730258 /nfs/dbraw/zinc/73/02/58/454730258.db2.gz OCUKITXUOSLDRL-UHFFFAOYSA-N 1 0 347.484 3.186 20 10 EGCDRO COCC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000124591034 454751302 /nfs/dbraw/zinc/75/13/02/454751302.db2.gz GYHGSZAHLAUJHS-UHFFFAOYSA-N 1 0 328.250 3.322 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000109773783 454837425 /nfs/dbraw/zinc/83/74/25/454837425.db2.gz GLJVAAVTTHWZAY-UHFFFAOYSA-N 1 0 334.460 3.471 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000125711109 454841169 /nfs/dbraw/zinc/84/11/69/454841169.db2.gz ZNFFBIKBAXLWKT-OAHLLOKOSA-N 1 0 346.496 3.148 20 10 EGCDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1O)OCO3)CCC2 ZINC000111173221 454858190 /nfs/dbraw/zinc/85/81/90/454858190.db2.gz IOSQAHGQGKXIIP-CYBMUJFWSA-N 1 0 332.425 3.395 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cc(F)ccc1O ZINC000184894458 455468946 /nfs/dbraw/zinc/46/89/46/455468946.db2.gz HBGGOIAMFPJHHY-HNNXBMFYSA-N 1 0 344.430 3.214 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000126566195 454902931 /nfs/dbraw/zinc/90/29/31/454902931.db2.gz IXHHPUMHKNYPOI-INIZCTEOSA-N 1 0 341.503 3.354 20 10 EGCDRO CN(c1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1)C1CCCCC1 ZINC000166471080 454911814 /nfs/dbraw/zinc/91/18/14/454911814.db2.gz XUAHLTUVQHBZAC-UHFFFAOYSA-N 1 0 343.515 3.461 20 10 EGCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(OCCC)cc2O)CC1 ZINC000154712175 454921809 /nfs/dbraw/zinc/92/18/09/454921809.db2.gz JRBZRNQNSUEEAR-UHFFFAOYSA-N 1 0 348.487 3.309 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000113326758 454923344 /nfs/dbraw/zinc/92/33/44/454923344.db2.gz XTOMTURHTRTQRY-UHFFFAOYSA-N 1 0 332.831 3.172 20 10 EGCDRO CN(Cc1nccn1C(F)F)Cc1cc(Br)ccc1O ZINC000154966224 454949260 /nfs/dbraw/zinc/94/92/60/454949260.db2.gz UWBKLYYACKOPHQ-UHFFFAOYSA-N 1 0 346.175 3.378 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1O ZINC000155074327 454960780 /nfs/dbraw/zinc/96/07/80/454960780.db2.gz SGLMEVTXHQATAM-KRWDZBQOSA-N 1 0 328.412 3.331 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000178689414 454967909 /nfs/dbraw/zinc/96/79/09/454967909.db2.gz QSJMCKQQYVZNIN-IBGZPJMESA-N 1 0 325.456 3.353 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NC)c2)cc1 ZINC000178688305 454968409 /nfs/dbraw/zinc/96/84/09/454968409.db2.gz NGVGKLPFOYYSSH-HNNXBMFYSA-N 1 0 325.456 3.353 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000151375650 454976314 /nfs/dbraw/zinc/97/63/14/454976314.db2.gz MKNPIUHSGWRTAQ-CRAIPNDOSA-N 1 0 337.485 3.325 20 10 EGCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC000179017418 455000353 /nfs/dbraw/zinc/00/03/53/455000353.db2.gz IWYLCJNABRNMSV-SFHVURJKSA-N 1 0 339.483 3.392 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCc3c(C)noc3C)CC2)cc1 ZINC000156000663 455071252 /nfs/dbraw/zinc/07/12/52/455071252.db2.gz XROZJXCWKCWQCR-UHFFFAOYSA-N 1 0 329.444 3.101 20 10 EGCDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)nc1 ZINC000179938176 455102571 /nfs/dbraw/zinc/10/25/71/455102571.db2.gz XTLNRRVUCNRQLK-UHFFFAOYSA-N 1 0 343.402 3.085 20 10 EGCDRO CCc1noc(C)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119057795 455123666 /nfs/dbraw/zinc/12/36/66/455123666.db2.gz UARUDSFRKZTERS-INIZCTEOSA-N 1 0 330.428 3.432 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000157645123 455216323 /nfs/dbraw/zinc/21/63/23/455216323.db2.gz FDULJWQABIVFMN-HXUWFJFHSA-N 1 0 344.430 3.126 20 10 EGCDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000184296419 455369382 /nfs/dbraw/zinc/36/93/82/455369382.db2.gz CCKHHJNUSHVWFG-ALLJEULLSA-N 1 0 326.481 3.234 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccncc3)C2)cc1 ZINC000174621506 455407179 /nfs/dbraw/zinc/40/71/79/455407179.db2.gz JAVBQMPEYUIETL-HNNXBMFYSA-N 1 0 333.382 3.442 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3cccnc3)C2)cc1 ZINC000174622364 455407230 /nfs/dbraw/zinc/40/72/30/455407230.db2.gz FBZAJQVEXDMSOR-OAHLLOKOSA-N 1 0 333.382 3.442 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174640166 455408765 /nfs/dbraw/zinc/40/87/65/455408765.db2.gz QASSOTKHRPDCFY-CVEARBPZSA-N 1 0 343.496 3.464 20 10 EGCDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000160146535 455433003 /nfs/dbraw/zinc/43/30/03/455433003.db2.gz ZSHTUJDLGMUWDU-CVEARBPZSA-N 1 0 337.483 3.043 20 10 EGCDRO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(C)ccc1O ZINC000160251619 455442084 /nfs/dbraw/zinc/44/20/84/455442084.db2.gz XDVGWKROIOTSIX-UHFFFAOYSA-N 1 0 334.366 3.439 20 10 EGCDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000160528071 455469551 /nfs/dbraw/zinc/46/95/51/455469551.db2.gz JDAQMXKTEDMYST-ZDUSSCGKSA-N 1 0 346.862 3.308 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000184966747 455479519 /nfs/dbraw/zinc/47/95/19/455479519.db2.gz STISUILJELJJIG-CQSZACIVSA-N 1 0 328.412 3.249 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000184984163 455481301 /nfs/dbraw/zinc/48/13/01/455481301.db2.gz MAGQJAYWOFZOJD-CQSZACIVSA-N 1 0 327.428 3.247 20 10 EGCDRO COCCN1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185144965 455510093 /nfs/dbraw/zinc/51/00/93/455510093.db2.gz KPCSOKPDEUYVSY-OAHLLOKOSA-N 1 0 328.456 3.307 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(=O)NCc1ccccc1 ZINC000185183863 455518049 /nfs/dbraw/zinc/51/80/49/455518049.db2.gz BUROTOIIUZELCV-CHWSQXEVSA-N 1 0 332.831 3.401 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185196062 455519772 /nfs/dbraw/zinc/51/97/72/455519772.db2.gz ZQMKFRIVSVHSJG-AWEZNQCLSA-N 1 0 330.403 3.231 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3c(cccc3OC)C2)c1 ZINC000185334607 455542834 /nfs/dbraw/zinc/54/28/34/455542834.db2.gz YPECAXHKOOUJDH-GXTWGEPZSA-N 1 0 329.396 3.064 20 10 EGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185487345 455564704 /nfs/dbraw/zinc/56/47/04/455564704.db2.gz BYSKGUBZNUBUEB-ORAYPTAESA-N 1 0 331.412 3.102 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185638822 455588309 /nfs/dbraw/zinc/58/83/09/455588309.db2.gz YUGSWSCAMNOLER-UHFFFAOYSA-N 1 0 327.424 3.275 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1 ZINC000185700850 455600593 /nfs/dbraw/zinc/60/05/93/455600593.db2.gz XVAUNVAWPHPMAN-UHFFFAOYSA-N 1 0 325.456 3.068 20 10 EGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000271387836 455618870 /nfs/dbraw/zinc/61/88/70/455618870.db2.gz JKSVETFJRWJRMR-KRWDZBQOSA-N 1 0 339.483 3.450 20 10 EGCDRO C[N@H+](Cc1ccccc1O)[C@H](CO)c1cccc(Br)c1 ZINC000271452448 455642852 /nfs/dbraw/zinc/64/28/52/455642852.db2.gz UWUQGVBMKIEZHI-OAHLLOKOSA-N 1 0 336.229 3.320 20 10 EGCDRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cc(F)ccc1O ZINC000186019600 455676946 /nfs/dbraw/zinc/67/69/46/455676946.db2.gz QWAXNRWCYWUIOR-HNNXBMFYSA-N 1 0 336.451 3.217 20 10 EGCDRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cc(F)ccc1O ZINC000186019619 455676959 /nfs/dbraw/zinc/67/69/59/455676959.db2.gz QWAXNRWCYWUIOR-OAHLLOKOSA-N 1 0 336.451 3.217 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cc(F)ccc1O ZINC000186022951 455677721 /nfs/dbraw/zinc/67/77/21/455677721.db2.gz NYLNGVBFMQXAMY-IAQYHMDHSA-N 1 0 332.350 3.127 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000284430464 455684584 /nfs/dbraw/zinc/68/45/84/455684584.db2.gz RWYPSAQFUDIXOE-FZKQIMNGSA-N 1 0 332.419 3.493 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000271571814 455687691 /nfs/dbraw/zinc/68/76/91/455687691.db2.gz YUKNXYGSGXEQJK-AEFFLSMTSA-N 1 0 330.472 3.276 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000268768454 455712325 /nfs/dbraw/zinc/71/23/25/455712325.db2.gz RNBAJDXJWFAMOV-YWZLYKJASA-N 1 0 344.430 3.047 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000268768448 455712946 /nfs/dbraw/zinc/71/29/46/455712946.db2.gz RNBAJDXJWFAMOV-MGPUTAFESA-N 1 0 344.430 3.047 20 10 EGCDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000271661329 455715557 /nfs/dbraw/zinc/71/55/57/455715557.db2.gz DLVIZTJWIMOWEG-CYBMUJFWSA-N 1 0 344.411 3.089 20 10 EGCDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000268824231 455716118 /nfs/dbraw/zinc/71/61/18/455716118.db2.gz IIGVLFWYTUYUHW-GOSISDBHSA-N 1 0 345.531 3.174 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1O ZINC000271723930 455735359 /nfs/dbraw/zinc/73/53/59/455735359.db2.gz KZUDXSMFWPNZKO-UHFFFAOYSA-N 1 0 334.460 3.437 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1O ZINC000271783897 455758682 /nfs/dbraw/zinc/75/86/82/455758682.db2.gz IBYOJVMCDLQNBG-UHFFFAOYSA-N 1 0 340.261 3.466 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1O ZINC000271834223 455780336 /nfs/dbraw/zinc/78/03/36/455780336.db2.gz PERYGBXMRHRZCZ-OALUTQOASA-N 1 0 327.424 3.025 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)ccc1OCCO ZINC000293683231 455794789 /nfs/dbraw/zinc/79/47/89/455794789.db2.gz KMAIDKMYACNPOX-HNNXBMFYSA-N 1 0 345.439 3.240 20 10 EGCDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000293730106 455796402 /nfs/dbraw/zinc/79/64/02/455796402.db2.gz OHZDMDRLESGETD-HNNXBMFYSA-N 1 0 345.466 3.228 20 10 EGCDRO COc1ccncc1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000293843940 455799473 /nfs/dbraw/zinc/79/94/73/455799473.db2.gz HGYRWWQHIXLQJS-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCn2cc(Br)cn2)c(O)c1 ZINC000294267708 455809313 /nfs/dbraw/zinc/80/93/13/455809313.db2.gz LQRGSBKAJXIIFS-GFCCVEGCSA-N 1 0 338.249 3.319 20 10 EGCDRO C[C@H](C[S@@](C)=O)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294444908 455816320 /nfs/dbraw/zinc/81/63/20/455816320.db2.gz VJLXWBDXTPCHGV-OMXJDXKCSA-N 1 0 331.481 3.423 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000278405837 455834737 /nfs/dbraw/zinc/83/47/37/455834737.db2.gz PCYRSTDJYCPZJT-IUODEOHRSA-N 1 0 334.357 3.027 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H](CC)NC(=O)OC(C)(C)C)c1O ZINC000295107808 455838568 /nfs/dbraw/zinc/83/85/68/455838568.db2.gz UMXKTOVYDKWPQD-AWEZNQCLSA-N 1 0 338.448 3.184 20 10 EGCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000295866604 455861511 /nfs/dbraw/zinc/86/15/11/455861511.db2.gz FXYBHTKUSMZFRD-CABCVRRESA-N 1 0 346.450 3.291 20 10 EGCDRO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000295999069 455865848 /nfs/dbraw/zinc/86/58/48/455865848.db2.gz ODBBCEJVYHAJSH-KRWDZBQOSA-N 1 0 330.472 3.396 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2)CC1 ZINC000296031270 455867567 /nfs/dbraw/zinc/86/75/67/455867567.db2.gz PEIBGVVSPXZZCU-HRAATJIYSA-N 1 0 344.499 3.301 20 10 EGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccs1 ZINC000296088397 455868597 /nfs/dbraw/zinc/86/85/97/455868597.db2.gz SOBGYIZOFRWSLT-INIZCTEOSA-N 1 0 335.425 3.032 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(C)cc1O ZINC000279949820 455877970 /nfs/dbraw/zinc/87/79/70/455877970.db2.gz BQIBNZAHNIOVLU-SFHVURJKSA-N 1 0 326.440 3.400 20 10 EGCDRO Cc1nccn1CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279989779 455880545 /nfs/dbraw/zinc/88/05/45/455880545.db2.gz RDZSORJQTUWREW-UHFFFAOYSA-N 1 0 340.393 3.456 20 10 EGCDRO CC(=O)c1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000296244544 455889957 /nfs/dbraw/zinc/88/99/57/455889957.db2.gz FJLOIRFIYHETDL-UHFFFAOYSA-N 1 0 338.451 3.358 20 10 EGCDRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1-c1ccccc1 ZINC000296887618 456061301 /nfs/dbraw/zinc/06/13/01/456061301.db2.gz GLBDTCAYLVNOSI-JLYLLQBASA-N 1 0 337.467 3.449 20 10 EGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000280890564 456073249 /nfs/dbraw/zinc/07/32/49/456073249.db2.gz FBKCLMZPCWHGIV-ZBFHGGJFSA-N 1 0 330.472 3.180 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CCO)cc2)CC1 ZINC000296974367 456080062 /nfs/dbraw/zinc/08/00/62/456080062.db2.gz DKKANXCPACEDED-SFHVURJKSA-N 1 0 332.488 3.039 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCc2nc3ccccc3s2)cc1OC ZINC000289373983 456123546 /nfs/dbraw/zinc/12/35/46/456123546.db2.gz BDNNIYVWZVZHAG-UHFFFAOYSA-N 1 0 344.436 3.351 20 10 EGCDRO CC[C@@H]([NH2+]CCOCC(F)F)c1cc(Br)ccc1O ZINC000188743318 456126386 /nfs/dbraw/zinc/12/63/86/456126386.db2.gz FMAKBZJBMVIUOH-LLVKDONJSA-N 1 0 338.192 3.477 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)cc1F ZINC000271137100 456138295 /nfs/dbraw/zinc/13/82/95/456138295.db2.gz NERFRSWCUCUACM-UHFFFAOYSA-N 1 0 334.464 3.061 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000289926623 456183959 /nfs/dbraw/zinc/18/39/59/456183959.db2.gz XTAQKGDZFODJJD-HNNXBMFYSA-N 1 0 333.350 3.070 20 10 EGCDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccccc3O)CC2)c1 ZINC000271245459 456189178 /nfs/dbraw/zinc/18/91/78/456189178.db2.gz CGCSZRAFWCUGPV-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263688844 456192078 /nfs/dbraw/zinc/19/20/78/456192078.db2.gz OFXJGPIIPXJXJJ-HUUCEWRRSA-N 1 0 326.440 3.452 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1O ZINC000236913587 456200625 /nfs/dbraw/zinc/20/06/25/456200625.db2.gz MFAPXFQRWOXVGU-UHFFFAOYSA-N 1 0 340.423 3.208 20 10 EGCDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000189094014 456224038 /nfs/dbraw/zinc/22/40/38/456224038.db2.gz VFOBBBSELDHJLQ-LPHOPBHVSA-N 1 0 338.451 3.461 20 10 EGCDRO COCCOc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000273427673 456230627 /nfs/dbraw/zinc/23/06/27/456230627.db2.gz UTSKAVFZRPAEJW-CQSZACIVSA-N 1 0 331.412 3.277 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c(O)c1C ZINC000273545472 456237797 /nfs/dbraw/zinc/23/77/97/456237797.db2.gz ZHCSZOKZVFHSDD-QFBILLFUSA-N 1 0 338.451 3.461 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000273587814 456239664 /nfs/dbraw/zinc/23/96/64/456239664.db2.gz OFIQUJOBOVSGBC-CQSZACIVSA-N 1 0 346.471 3.236 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000263862732 456247726 /nfs/dbraw/zinc/24/77/26/456247726.db2.gz WVRDGZJVWCBLSV-QGZVFWFLSA-N 1 0 339.483 3.440 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(C[NH3+])cc1 ZINC000237219837 456248536 /nfs/dbraw/zinc/24/85/36/456248536.db2.gz MHXAXSIEZHZHBH-UHFFFAOYSA-N 1 0 337.467 3.408 20 10 EGCDRO Cc1nn(C(C)C)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000281724046 456303080 /nfs/dbraw/zinc/30/30/80/456303080.db2.gz URXZJWAMTXUAEW-UHFFFAOYSA-N 1 0 342.487 3.241 20 10 EGCDRO O=C(NCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000297864136 456312655 /nfs/dbraw/zinc/31/26/55/456312655.db2.gz UFQWURTXBQMPAL-OAHLLOKOSA-N 1 0 330.815 3.053 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CCn4ccnc43)C2)cc1 ZINC000297946568 456331736 /nfs/dbraw/zinc/33/17/36/456331736.db2.gz YMPZGHZHUBNAPN-BBRMVZONSA-N 1 0 348.397 3.188 20 10 EGCDRO C[NH+](C)Cc1cc(NCc2cc3c(cc2O)OCO3)ccc1Cl ZINC000282087689 456409884 /nfs/dbraw/zinc/40/98/84/456409884.db2.gz CJPYRZYCZVEWQO-UHFFFAOYSA-N 1 0 334.803 3.448 20 10 EGCDRO CC(C)(COCc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000282272435 456461573 /nfs/dbraw/zinc/46/15/73/456461573.db2.gz PYSTYQZQSDWTBL-UHFFFAOYSA-N 1 0 329.396 3.206 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1 ZINC000282303211 456471034 /nfs/dbraw/zinc/47/10/34/456471034.db2.gz JWATXRQZQYMIKX-OAQYLSRUSA-N 1 0 340.467 3.293 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000378428586 457395893 /nfs/dbraw/zinc/39/58/93/457395893.db2.gz JPYSPPGYXNSPDT-COXVUDFISA-N 1 0 338.879 3.167 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000458751877 458159517 /nfs/dbraw/zinc/15/95/17/458159517.db2.gz UTUFCWMFHIYRJY-INIZCTEOSA-N 1 0 342.487 3.111 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000373525696 458519641 /nfs/dbraw/zinc/51/96/41/458519641.db2.gz DVZORFAIARSRTI-INIZCTEOSA-N 1 0 349.837 3.334 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000377783417 458526111 /nfs/dbraw/zinc/52/61/11/458526111.db2.gz RKMRPZXSUZDSMD-SFHVURJKSA-N 1 0 333.453 3.430 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000472289837 458781384 /nfs/dbraw/zinc/78/13/84/458781384.db2.gz DRVLRNQUHXYSFI-UHFFFAOYSA-N 1 0 342.487 3.112 20 10 EGCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000555161569 458903151 /nfs/dbraw/zinc/90/31/51/458903151.db2.gz NKYSHQIYGTXOOK-OAHLLOKOSA-N 1 0 344.503 3.406 20 10 EGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc21 ZINC000653162994 461531056 /nfs/dbraw/zinc/53/10/56/461531056.db2.gz ZUQWOXQOLLBIQH-SFHVURJKSA-N 1 0 345.487 3.008 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1cc(Br)ccc1O ZINC000037158059 522736826 /nfs/dbraw/zinc/73/68/26/522736826.db2.gz YXZWBKKCTWPYCQ-RISCZKNCSA-N 1 0 338.249 3.481 20 10 EGCDRO O=C(NCc1ccccc1O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000726247918 574547333 /nfs/dbraw/zinc/54/73/33/574547333.db2.gz KXYVZRBUBINRRP-UHFFFAOYSA-N 1 0 345.487 3.236 20 10 EGCDRO O=C(NCc1ccccc1O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000731545182 575080209 /nfs/dbraw/zinc/08/02/09/575080209.db2.gz WBMQBKFSELEBQU-GOSISDBHSA-N 1 0 345.487 3.236 20 10 EGCDRO CN(C)c1ccc(C[N@H+](CC(=O)NCc2ccccc2)C2CC2)cc1 ZINC000732408593 575266221 /nfs/dbraw/zinc/26/62/21/575266221.db2.gz QJZAMGPLBMUKTQ-UHFFFAOYSA-N 1 0 337.467 3.033 20 10 EGCDRO CN(Cc1csc([N+](=O)[O-])c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410867 575268186 /nfs/dbraw/zinc/26/81/86/575268186.db2.gz LGSWDFFUGLDYBO-UHFFFAOYSA-N 1 0 335.429 3.233 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CCCc1nc2ccccc2n1C ZINC000736641336 575997203 /nfs/dbraw/zinc/99/72/03/575997203.db2.gz GQRZSLWPOFKTGT-UHFFFAOYSA-N 1 0 325.412 3.010 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@@H](c3ccccc3)C1)OCO2 ZINC000738244721 576305041 /nfs/dbraw/zinc/30/50/41/576305041.db2.gz ICNBNXPSZKOLTR-GOSISDBHSA-N 1 0 329.421 3.411 20 10 EGCDRO CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000740017932 576533594 /nfs/dbraw/zinc/53/35/94/576533594.db2.gz IJRNVCZCEYLXSX-VQTJNVASSA-N 1 0 346.515 3.453 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)ccc1N1CCCCC1 ZINC000742372161 576774921 /nfs/dbraw/zinc/77/49/21/576774921.db2.gz ISQBFMCJERXFQQ-NVXWUHKLSA-N 1 0 347.459 3.226 20 10 EGCDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742380364 576776691 /nfs/dbraw/zinc/77/66/91/576776691.db2.gz HJLMXOANIPXDBK-INIZCTEOSA-N 1 0 335.448 3.082 20 10 EGCDRO OC[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CCCCC1 ZINC000691487598 1298133637 /nfs/dbraw/zinc/13/36/37/1298133637.db2.gz GSYKXQILTUOWBM-CQSZACIVSA-N 1 0 328.250 3.186 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(CC3CC3)C2)c(C(F)(F)F)c1 ZINC000792973767 1309273399 /nfs/dbraw/zinc/27/33/99/1309273399.db2.gz HSGSXSWEUYYMSX-HNNXBMFYSA-N 1 0 341.421 3.345 20 10 EGCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000794802927 1309599059 /nfs/dbraw/zinc/59/90/59/1309599059.db2.gz ILSHDEHPPGGSEK-NRFANRHFSA-N 1 0 338.451 3.069 20 10 EGCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827641216 1292350206 /nfs/dbraw/zinc/35/02/06/1292350206.db2.gz KVIUBQFUAQAMOD-LJQANCHMSA-N 1 0 329.488 3.086 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CC3Cc4ccccc4C3)cc2)CC1 ZINC000827663065 1292354192 /nfs/dbraw/zinc/35/41/92/1292354192.db2.gz YDQPFRMDHIODGM-UHFFFAOYSA-N 1 0 336.479 3.152 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000827774896 1292369787 /nfs/dbraw/zinc/36/97/87/1292369787.db2.gz ABTYFTCTAAESBL-HUUCEWRRSA-N 1 0 338.423 3.138 20 10 EGCDRO Cc1cc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)ccc1N1CCCCC1 ZINC000830514325 1292726660 /nfs/dbraw/zinc/72/66/60/1292726660.db2.gz DWOBSSKLOWWZHT-GOSISDBHSA-N 1 0 345.487 3.258 20 10 EGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OC1CCC1 ZINC000830628250 1292742637 /nfs/dbraw/zinc/74/26/37/1292742637.db2.gz UPUKUBCHXJHDLE-AWEZNQCLSA-N 1 0 338.835 3.289 20 10 EGCDRO CC[N@@H+](Cc1ccc(C(=O)NC)cc1)Cc1ccc(N(C)C)cc1 ZINC000109025575 1293085567 /nfs/dbraw/zinc/08/55/67/1293085567.db2.gz DOAKJVIZTGWHKN-UHFFFAOYSA-N 1 0 325.456 3.134 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1(N3CCOCC3)CCCCC1)CC2 ZINC000834487820 1293104316 /nfs/dbraw/zinc/10/43/16/1293104316.db2.gz NGIQKUFRHXZMSB-KRWDZBQOSA-N 1 0 330.472 3.004 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)cc1F ZINC000834575607 1293118518 /nfs/dbraw/zinc/11/85/18/1293118518.db2.gz MLRROWSGBOEWPZ-OAHLLOKOSA-N 1 0 338.467 3.346 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c(C)n1-c1cccc(C)c1 ZINC000834791620 1293149618 /nfs/dbraw/zinc/14/96/18/1293149618.db2.gz PJSKUHQILFXGMZ-LJQANCHMSA-N 1 0 337.467 3.274 20 10 EGCDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834880725 1293162502 /nfs/dbraw/zinc/16/25/02/1293162502.db2.gz DEHIHXRNZSIDHA-ILZDJORESA-N 1 0 332.488 3.379 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)c2c1c(F)ccc2O ZINC000834883410 1293163288 /nfs/dbraw/zinc/16/32/88/1293163288.db2.gz KZNSOUGKRKEQEL-XHDPSFHLSA-N 1 0 349.427 3.273 20 10 EGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000834895247 1293167242 /nfs/dbraw/zinc/16/72/42/1293167242.db2.gz AKNDFNCIBIWLIM-MNOVXSKESA-N 1 0 338.249 3.170 20 10 EGCDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N2CCCCC2)c(F)c1 ZINC000834909465 1293172864 /nfs/dbraw/zinc/17/28/64/1293172864.db2.gz RSGQKSUYXWGSDR-KUHUBIRLSA-N 1 0 333.451 3.135 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(N(C)C)cc1 ZINC000834910227 1293174215 /nfs/dbraw/zinc/17/42/15/1293174215.db2.gz CMDXMWZZUHDSGS-YTQUADARSA-N 1 0 342.487 3.447 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c2c1c(F)ccc2O ZINC000834910291 1293174303 /nfs/dbraw/zinc/17/43/03/1293174303.db2.gz CSDAVZZBGVBEOB-UNIGVISCSA-N 1 0 345.418 3.323 20 10 EGCDRO COc1cccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1O ZINC000835057667 1293194901 /nfs/dbraw/zinc/19/49/01/1293194901.db2.gz FDWVAVIRLFNCDR-UHFFFAOYSA-N 1 0 339.435 3.465 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116439440 1293205708 /nfs/dbraw/zinc/20/57/08/1293205708.db2.gz NLHRZTHKSUEADQ-SFHVURJKSA-N 1 0 348.535 3.260 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000125813085 1293517798 /nfs/dbraw/zinc/51/77/98/1293517798.db2.gz FFZPPWUDBFIZBB-GDBMZVCRSA-N 1 0 329.410 3.430 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000127104427 1293553674 /nfs/dbraw/zinc/55/36/74/1293553674.db2.gz JPDYVEMXUZJXHV-JKSUJKDBSA-N 1 0 338.517 3.151 20 10 EGCDRO CCC[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1O ZINC000130724777 1293666729 /nfs/dbraw/zinc/66/67/29/1293666729.db2.gz HTHISFKYHJZXCG-UHFFFAOYSA-N 1 0 344.430 3.102 20 10 EGCDRO FC(F)(F)CN1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000132167153 1293711339 /nfs/dbraw/zinc/71/13/39/1293711339.db2.gz JWEOFMIDWITUKT-UHFFFAOYSA-N 1 0 339.452 3.242 20 10 EGCDRO CC(C)C[N@H+](CCN(C)C)Cc1cc(Br)ccc1O ZINC000132549964 1293723006 /nfs/dbraw/zinc/72/30/06/1293723006.db2.gz PYXYTQGQWSNRAT-UHFFFAOYSA-N 1 0 329.282 3.174 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000151115667 1293908847 /nfs/dbraw/zinc/90/88/47/1293908847.db2.gz YJJGPEJVYPVHSA-ROUUACIJSA-N 1 0 333.472 3.378 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1C ZINC000153183288 1294002315 /nfs/dbraw/zinc/00/23/15/1294002315.db2.gz VXBAORGDYCSZEY-UHFFFAOYSA-N 1 0 334.357 3.027 20 10 EGCDRO CC[N@H+](CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000156653645 1294153478 /nfs/dbraw/zinc/15/34/78/1294153478.db2.gz QQYOQJIHQBHIGH-INIZCTEOSA-N 1 0 337.483 3.043 20 10 EGCDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000157610845 1294182193 /nfs/dbraw/zinc/18/21/93/1294182193.db2.gz AKZZWKQLUFRBGL-INIZCTEOSA-N 1 0 330.501 3.005 20 10 EGCDRO COc1cc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c(O)cc1C ZINC000160406838 1294267759 /nfs/dbraw/zinc/26/77/59/1294267759.db2.gz SRHMXVMGMHVIFD-FQEVSTJZSA-N 1 0 327.424 3.457 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3sc(C)nc3C)CC2)cc1 ZINC000172757465 1294443466 /nfs/dbraw/zinc/44/34/66/1294443466.db2.gz FYDULZVLSLBBMA-UHFFFAOYSA-N 1 0 331.485 3.481 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178205330 1294722092 /nfs/dbraw/zinc/72/20/92/1294722092.db2.gz AEMYDCQGEZPKBO-GJZGRUSLSA-N 1 0 346.471 3.233 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)cc1 ZINC000178452469 1294737357 /nfs/dbraw/zinc/73/73/57/1294737357.db2.gz QPRKHBJOFIOTGT-HNNXBMFYSA-N 1 0 343.446 3.362 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c(C)n1-c1cccc(Cl)c1 ZINC000179112919 1294773379 /nfs/dbraw/zinc/77/33/79/1294773379.db2.gz BDJSZFVQRSLIFQ-INIZCTEOSA-N 1 0 331.847 3.181 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)ccc1OC ZINC000179346996 1294788303 /nfs/dbraw/zinc/78/83/03/1294788303.db2.gz ZTZZXVZPIKZPDH-YOEHRIQHSA-N 1 0 333.428 3.427 20 10 EGCDRO COc1ccccc1CN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000180034142 1294854215 /nfs/dbraw/zinc/85/42/15/1294854215.db2.gz WRALQZBFFVQKEQ-UHFFFAOYSA-N 1 0 326.440 3.027 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1C ZINC000180219330 1294869436 /nfs/dbraw/zinc/86/94/36/1294869436.db2.gz VMXSQVUQLNCGQH-AWEZNQCLSA-N 1 0 346.377 3.182 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000180833409 1294919941 /nfs/dbraw/zinc/91/99/41/1294919941.db2.gz FYXVBOYHQIKTMO-UHFFFAOYSA-N 1 0 330.281 3.114 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCc3ccccc3C2)c1 ZINC000184932957 1295229421 /nfs/dbraw/zinc/22/94/21/1295229421.db2.gz ZFZUOQOCZXMWFN-INIZCTEOSA-N 1 0 340.467 3.500 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000185855127 1295290652 /nfs/dbraw/zinc/29/06/52/1295290652.db2.gz UGEFPZZEUJXXLF-CHWSQXEVSA-N 1 0 346.377 3.435 20 10 EGCDRO CC[C@H]([NH2+]CC1(CO)CCC1)c1cc(Br)ccc1O ZINC000186397296 1295323551 /nfs/dbraw/zinc/32/35/51/1295323551.db2.gz ULUIVRXUKLWEAI-ZDUSSCGKSA-N 1 0 328.250 3.358 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)cc1OC ZINC000186456197 1295330177 /nfs/dbraw/zinc/33/01/77/1295330177.db2.gz ICHIVVNNMCEHEJ-VLIAUNLRSA-N 1 0 344.455 3.190 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@H](OCCOC)C2)c(O)c(C(C)(C)C)c1 ZINC000188923738 1295488443 /nfs/dbraw/zinc/48/84/43/1295488443.db2.gz YSTYGRRYRVTGDQ-KRWDZBQOSA-N 1 0 335.488 3.489 20 10 EGCDRO Fc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000190289953 1295575746 /nfs/dbraw/zinc/57/57/46/1295575746.db2.gz GMTFBNBUIMWYNM-UHFFFAOYSA-N 1 0 332.394 3.134 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(C(=O)OC)c2ccccc2)c1 ZINC000191588787 1295693255 /nfs/dbraw/zinc/69/32/55/1295693255.db2.gz WARHMPCCLRNJME-FQEVSTJZSA-N 1 0 343.423 3.011 20 10 EGCDRO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(C)c(C)cc1O ZINC000192474620 1295765698 /nfs/dbraw/zinc/76/56/98/1295765698.db2.gz ZWOVQCWQBLJASJ-UHFFFAOYSA-N 1 0 342.439 3.478 20 10 EGCDRO CN(C)[C@@H](C[NH2+]Cc1cc(Br)ccc1O)c1ccco1 ZINC000227434374 1296143775 /nfs/dbraw/zinc/14/37/75/1296143775.db2.gz RSTCCXVFNMRGGR-ZDUSSCGKSA-N 1 0 339.233 3.140 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)c(C)n1-c1cccc(Cl)c1 ZINC000237755324 1296262487 /nfs/dbraw/zinc/26/24/87/1296262487.db2.gz FWWWXCIRBUBGTN-KRWDZBQOSA-N 1 0 331.847 3.215 20 10 EGCDRO C[C@H](C(=O)NCCCSc1nccs1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246814894 1296370600 /nfs/dbraw/zinc/37/06/00/1296370600.db2.gz RXSRUUCRWJTQCT-FRRDWIJNSA-N 1 0 327.519 3.003 20 10 EGCDRO COc1ccc(-n2c(C)cc(-c3nc(C4([NH3+])CCC4)no3)c2C)cc1 ZINC000261630858 1296595574 /nfs/dbraw/zinc/59/55/74/1296595574.db2.gz CMHCJUPMICRLAW-UHFFFAOYSA-N 1 0 338.411 3.491 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1F ZINC000304130081 1296902894 /nfs/dbraw/zinc/90/28/94/1296902894.db2.gz VUCDNQNNQKLQBQ-INIZCTEOSA-N 1 0 327.758 3.321 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000324233344 1297207731 /nfs/dbraw/zinc/20/77/31/1297207731.db2.gz YEHVWIDWHZXAQS-IBGZPJMESA-N 1 0 325.456 3.191 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1C ZINC000873059760 1297253997 /nfs/dbraw/zinc/25/39/97/1297253997.db2.gz YLNSQHXMQXWDLF-IRXDYDNUSA-N 1 0 339.501 3.229 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1C ZINC000873059759 1297254250 /nfs/dbraw/zinc/25/42/50/1297254250.db2.gz YLNSQHXMQXWDLF-IAGOWNOFSA-N 1 0 339.501 3.229 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1Cn1cccn1 ZINC000873103420 1297273384 /nfs/dbraw/zinc/27/33/84/1297273384.db2.gz BVPGHNDPGLJGSK-SJORKVTESA-N 1 0 343.471 3.235 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1Cn1cccn1 ZINC000873129693 1297287348 /nfs/dbraw/zinc/28/73/48/1297287348.db2.gz QPJQIYMRKUHQFV-QGZVFWFLSA-N 1 0 343.471 3.235 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000873196973 1297341710 /nfs/dbraw/zinc/34/17/10/1297341710.db2.gz VPPTVLDKIAQJQP-VBKZILBWSA-N 1 0 345.439 3.233 20 10 EGCDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000873196977 1297341986 /nfs/dbraw/zinc/34/19/86/1297341986.db2.gz VPPTVLDKIAQJQP-XOBRGWDASA-N 1 0 345.439 3.233 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1O ZINC000873293595 1297415238 /nfs/dbraw/zinc/41/52/38/1297415238.db2.gz NMABMAUTDCMQLF-DZGCQCFKSA-N 1 0 338.879 3.163 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]Cc1ccsc1Br)OCO2 ZINC000388565337 1297603993 /nfs/dbraw/zinc/60/39/93/1297603993.db2.gz SOIISXVVTBGJSE-UHFFFAOYSA-N 1 0 342.214 3.235 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000393828099 1297671737 /nfs/dbraw/zinc/67/17/37/1297671737.db2.gz IQKZQINADRHXIM-LSDHHAIUSA-N 1 0 332.444 3.272 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1cc(Br)ccc1O ZINC000394098891 1297675197 /nfs/dbraw/zinc/67/51/97/1297675197.db2.gz XZRCAXGHOREOLW-BXUZGUMPSA-N 1 0 330.266 3.460 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1C(=O)OC(C)(C)C ZINC000690844513 1298130354 /nfs/dbraw/zinc/13/03/54/1298130354.db2.gz VGEXXEULWZFVDD-PBHICJAKSA-N 1 0 346.471 3.499 20 10 EGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000707129844 1298227314 /nfs/dbraw/zinc/22/73/14/1298227314.db2.gz URALPBHBRFQKRR-GFCCVEGCSA-N 1 0 327.266 3.071 20 10 EGCDRO CCC1(C[NH2+]Cc2c(O)cccc2Br)CCOCC1 ZINC000706799781 1298222223 /nfs/dbraw/zinc/22/22/23/1298222223.db2.gz DOTPWQXBEAXOPM-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC1CC[NH+](C)CC1 ZINC000725727988 1298354852 /nfs/dbraw/zinc/35/48/52/1298354852.db2.gz CRQYSOXPTSMRNA-UHFFFAOYSA-N 1 0 331.485 3.227 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)N1c2ccccc2C[C@@H]1C ZINC000725843655 1298372321 /nfs/dbraw/zinc/37/23/21/1298372321.db2.gz XLKAECPEBIZGIY-LSDHHAIUSA-N 1 0 336.435 3.077 20 10 EGCDRO C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1O ZINC000875521450 1298372726 /nfs/dbraw/zinc/37/27/26/1298372726.db2.gz NBYTYPDWCJSUAC-OAHLLOKOSA-N 1 0 341.455 3.057 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000875572542 1298393112 /nfs/dbraw/zinc/39/31/12/1298393112.db2.gz FJZCANPSWNTBEY-KXBFYZLASA-N 1 0 341.455 3.191 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000746105146 1298532550 /nfs/dbraw/zinc/53/25/50/1298532550.db2.gz NWJKEBLWFMAVDK-IAGOWNOFSA-N 1 0 331.504 3.364 20 10 EGCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000746238076 1298556029 /nfs/dbraw/zinc/55/60/29/1298556029.db2.gz SPHZEVVILAAGOH-QZTJIDSGSA-N 1 0 343.515 3.412 20 10 EGCDRO Cc1cccc(O)c1CNc1ccccc1C[NH+]1CCC(O)CC1 ZINC000876826832 1299017093 /nfs/dbraw/zinc/01/70/93/1299017093.db2.gz CDHFEWWNAAUQIS-UHFFFAOYSA-N 1 0 326.440 3.269 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(O)c1 ZINC000876970179 1299095651 /nfs/dbraw/zinc/09/56/51/1299095651.db2.gz KPSFWEFWTRIVJI-IBGZPJMESA-N 1 0 340.423 3.108 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000877006568 1299109719 /nfs/dbraw/zinc/10/97/19/1299109719.db2.gz NIWCHKYCXIFWAN-INIZCTEOSA-N 1 0 325.330 3.240 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCc3cccc(F)c3F)cc2)CC1 ZINC000877028917 1299120145 /nfs/dbraw/zinc/12/01/45/1299120145.db2.gz JFXGTFMSRMRVGO-UHFFFAOYSA-N 1 0 346.421 3.258 20 10 EGCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000877035120 1299123633 /nfs/dbraw/zinc/12/36/33/1299123633.db2.gz CRSZQYHMHAKSFT-UHFFFAOYSA-N 1 0 338.448 3.041 20 10 EGCDRO CCO[C@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877084953 1299150455 /nfs/dbraw/zinc/15/04/55/1299150455.db2.gz SLHHJNBPARIIFZ-HXUWFJFHSA-N 1 0 334.504 3.189 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000877085726 1299151822 /nfs/dbraw/zinc/15/18/22/1299151822.db2.gz QWSQDGFUDBXWJK-GOSISDBHSA-N 1 0 338.451 3.024 20 10 EGCDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877141742 1299178509 /nfs/dbraw/zinc/17/85/09/1299178509.db2.gz KJNROGCAISQGDO-WIYYLYMNSA-N 1 0 346.515 3.331 20 10 EGCDRO C[C@@H]1CC(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)O1 ZINC000877505014 1299354346 /nfs/dbraw/zinc/35/43/46/1299354346.db2.gz OBEJDKUSGPMBKK-IAGOWNOFSA-N 1 0 346.515 3.331 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(OC)cc(F)cc2OC)c1 ZINC000877533313 1299374473 /nfs/dbraw/zinc/37/44/73/1299374473.db2.gz MJHAHORUCIYFHU-NSHDSACASA-N 1 0 335.375 3.408 20 10 EGCDRO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000877675780 1299471411 /nfs/dbraw/zinc/47/14/11/1299471411.db2.gz UHDYQKGCBKGQAA-HXUWFJFHSA-N 1 0 329.488 3.168 20 10 EGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000753572263 1299977661 /nfs/dbraw/zinc/97/76/61/1299977661.db2.gz SZCRKZPFXBMPOO-CYBMUJFWSA-N 1 0 325.836 3.063 20 10 EGCDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000754130832 1300094663 /nfs/dbraw/zinc/09/46/63/1300094663.db2.gz RXTHCWIPBDICBW-JSGCOSHPSA-N 1 0 328.378 3.288 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1O ZINC000754725739 1300200132 /nfs/dbraw/zinc/20/01/32/1300200132.db2.gz BLDKRDLMEORSMX-UHFFFAOYSA-N 1 0 349.434 3.453 20 10 EGCDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000756355714 1300474696 /nfs/dbraw/zinc/47/46/96/1300474696.db2.gz RISJMVIKXSZOCO-LPHOPBHVSA-N 1 0 346.515 3.278 20 10 EGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1C[C@@H](C)c3c1c(O)ccc3F)C2 ZINC000756396984 1300483148 /nfs/dbraw/zinc/48/31/48/1300483148.db2.gz RDCYUGXDPFFIKQ-AKWBHNSASA-N 1 0 327.403 3.325 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)c2c1c(F)ccc2O ZINC000756402661 1300484215 /nfs/dbraw/zinc/48/42/15/1300484215.db2.gz NOFMYBUXIGPQCK-WFASDCNBSA-N 1 0 329.419 3.445 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756553932 1300520161 /nfs/dbraw/zinc/52/01/61/1300520161.db2.gz NIAGRWZFWKUULT-MNOVXSKESA-N 1 0 345.256 3.286 20 10 EGCDRO COC1CCN(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000756643965 1300539917 /nfs/dbraw/zinc/53/99/17/1300539917.db2.gz WRVDNFXDGYDRIW-OAHLLOKOSA-N 1 0 332.488 3.032 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1C ZINC000756658493 1300542194 /nfs/dbraw/zinc/54/21/94/1300542194.db2.gz KBTVNPOELWVOPW-NVXWUHKLSA-N 1 0 330.472 3.451 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1cc(Cl)ccc1O ZINC000756659119 1300544066 /nfs/dbraw/zinc/54/40/66/1300544066.db2.gz MMPCESNKHGCKJG-RRQGHBQHSA-N 1 0 338.879 3.340 20 10 EGCDRO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)N1CCCC1 ZINC000756707277 1300549694 /nfs/dbraw/zinc/54/96/94/1300549694.db2.gz XPMZTRGCWKYQHW-IAISJRAMSA-N 1 0 334.435 3.316 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000756762586 1300563156 /nfs/dbraw/zinc/56/31/56/1300563156.db2.gz UTDXSGDBTMTCLD-JKSUJKDBSA-N 1 0 348.487 3.197 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])ncn1 ZINC000756775022 1300564072 /nfs/dbraw/zinc/56/40/72/1300564072.db2.gz GLIZXGXKQVMYKX-VIFPVBQESA-N 1 0 340.196 3.243 20 10 EGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C(F)(F)F ZINC000756836948 1300574072 /nfs/dbraw/zinc/57/40/72/1300574072.db2.gz ZSKMHSDFVHTZDA-WRWORJQWSA-N 1 0 342.155 3.383 20 10 EGCDRO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000879648749 1300650398 /nfs/dbraw/zinc/65/03/98/1300650398.db2.gz CDHUZTYJTCEWIO-XHSDSOJGSA-N 1 0 326.440 3.351 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000758497315 1300899308 /nfs/dbraw/zinc/89/93/08/1300899308.db2.gz ZTQZUKHVRXVGIZ-GOSISDBHSA-N 1 0 328.481 3.099 20 10 EGCDRO CN(Cc1ccc([N+](=O)[O-])cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223223 1301424260 /nfs/dbraw/zinc/42/42/60/1301424260.db2.gz NLBGPZDHOPZWCS-UHFFFAOYSA-N 1 0 347.390 3.311 20 10 EGCDRO CCn1c2ccccc2nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000763412397 1301898197 /nfs/dbraw/zinc/89/81/97/1301898197.db2.gz PBNWCLYWWGEAGV-UHFFFAOYSA-N 1 0 349.482 3.420 20 10 EGCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CCOC1 ZINC000763571549 1301926473 /nfs/dbraw/zinc/92/64/73/1301926473.db2.gz JVUJFWZZBRBDSY-BEFAXECRSA-N 1 0 336.451 3.272 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000763954025 1301988920 /nfs/dbraw/zinc/98/89/20/1301988920.db2.gz LQLUZPVGFLIOJA-LJQANCHMSA-N 1 0 325.456 3.062 20 10 EGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000764601720 1302099253 /nfs/dbraw/zinc/09/92/53/1302099253.db2.gz ZNJMEUGLQDYOKG-LBPRGKRZSA-N 1 0 333.382 3.320 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000764774656 1302133885 /nfs/dbraw/zinc/13/38/85/1302133885.db2.gz PJSLVUFVJYCETN-OAHLLOKOSA-N 1 0 325.456 3.305 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000765103681 1302203410 /nfs/dbraw/zinc/20/34/10/1302203410.db2.gz GUFZOYDGXORZAG-UHFFFAOYSA-N 1 0 339.487 3.081 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765254514 1302229641 /nfs/dbraw/zinc/22/96/41/1302229641.db2.gz NFZUZGOYJYLYNB-CABCVRRESA-N 1 0 338.879 3.254 20 10 EGCDRO C[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765348076 1302251820 /nfs/dbraw/zinc/25/18/20/1302251820.db2.gz IOUITSATXUMCDP-MRXNPFEDSA-N 1 0 325.456 3.456 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)cc1 ZINC000765401579 1302261264 /nfs/dbraw/zinc/26/12/64/1302261264.db2.gz GREYKQFTXMAGOC-HNNXBMFYSA-N 1 0 326.444 3.217 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 ZINC000765638718 1302294665 /nfs/dbraw/zinc/29/46/65/1302294665.db2.gz NXGPHHIBGVNTIT-HXUWFJFHSA-N 1 0 332.488 3.459 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765781736 1302324909 /nfs/dbraw/zinc/32/49/09/1302324909.db2.gz PTUJXAJUGCYPIH-GJZGRUSLSA-N 1 0 349.906 3.064 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000765791276 1302327842 /nfs/dbraw/zinc/32/78/42/1302327842.db2.gz PACBROCWYWIIRB-INIZCTEOSA-N 1 0 325.456 3.067 20 10 EGCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765945944 1302354333 /nfs/dbraw/zinc/35/43/33/1302354333.db2.gz RJWMWVJJIUEUQR-KBXCAEBGSA-N 1 0 340.895 3.378 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000766223881 1302412869 /nfs/dbraw/zinc/41/28/69/1302412869.db2.gz JUWCBBCSCRQHTL-HNNXBMFYSA-N 1 0 339.277 3.261 20 10 EGCDRO Cc1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000766352709 1302435779 /nfs/dbraw/zinc/43/57/79/1302435779.db2.gz KJKYGBJBIFVEDZ-CQSZACIVSA-N 1 0 331.485 3.447 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000766436634 1302452257 /nfs/dbraw/zinc/45/22/57/1302452257.db2.gz KRCDERHPABEUPP-WMLDXEAASA-N 1 0 333.451 3.087 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000768197640 1302853461 /nfs/dbraw/zinc/85/34/61/1302853461.db2.gz WCRRPULWHOOLRT-UHFFFAOYSA-N 1 0 326.440 3.027 20 10 EGCDRO CN(C)c1ccc(CN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000768358452 1302887481 /nfs/dbraw/zinc/88/74/81/1302887481.db2.gz VTCAFFXEOBFFTH-UHFFFAOYSA-N 1 0 329.513 3.174 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440654 1302904739 /nfs/dbraw/zinc/90/47/39/1302904739.db2.gz UBYWEKTUHFIRDL-GOSISDBHSA-N 1 0 331.387 3.369 20 10 EGCDRO C[N@H+](CCCCc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440200 1302904945 /nfs/dbraw/zinc/90/49/45/1302904945.db2.gz UGPPYXAQJRIWMB-LJQANCHMSA-N 1 0 327.424 3.273 20 10 EGCDRO COc1cccc(O)c1CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000768866277 1303001448 /nfs/dbraw/zinc/00/14/48/1303001448.db2.gz PWBPAYRRWQXAEB-SFHVURJKSA-N 1 0 340.467 3.497 20 10 EGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1c(O)cccc1Cl ZINC000769401621 1303107655 /nfs/dbraw/zinc/10/76/55/1303107655.db2.gz NADLTOKTOHNBMD-NSHDSACASA-N 1 0 328.840 3.391 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)cc1F ZINC000769464286 1303117834 /nfs/dbraw/zinc/11/78/34/1303117834.db2.gz YSTBXWASVVJBKR-UHFFFAOYSA-N 1 0 339.455 3.238 20 10 EGCDRO CCOC(=O)C1([N@H+](C)Cc2cccc(OCC)c2O)CCCCC1 ZINC000769503767 1303129081 /nfs/dbraw/zinc/12/90/81/1303129081.db2.gz LHKZMQMXYDWQLJ-UHFFFAOYSA-N 1 0 335.444 3.489 20 10 EGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(C)cc1O)CC2 ZINC000770654459 1303300449 /nfs/dbraw/zinc/30/04/49/1303300449.db2.gz HJWZERSZKYJYQV-UHFFFAOYSA-N 1 0 341.407 3.054 20 10 EGCDRO CN(Cc1ncc(Cl)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000770664718 1303303037 /nfs/dbraw/zinc/30/30/37/1303303037.db2.gz LANDOHIOGGXHOI-UHFFFAOYSA-N 1 0 325.865 3.373 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@H]1C1CC1 ZINC000771055237 1303354553 /nfs/dbraw/zinc/35/45/53/1303354553.db2.gz BKRFBONDSNIUON-IKGGRYGDSA-N 1 0 348.874 3.172 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@H]1C ZINC000886325228 1303434317 /nfs/dbraw/zinc/43/43/17/1303434317.db2.gz YWHWOQOXZVSTPI-MDZRGWNJSA-N 1 0 343.515 3.303 20 10 EGCDRO c1cnc2c(c1)CC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000886506191 1303480608 /nfs/dbraw/zinc/48/06/08/1303480608.db2.gz GMLDUXYMEGPPJJ-GOSISDBHSA-N 1 0 325.481 3.412 20 10 EGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H]1C ZINC000886749667 1303582978 /nfs/dbraw/zinc/58/29/78/1303582978.db2.gz ZRQJKLZPOGYGID-GQIGUUNPSA-N 1 0 343.515 3.303 20 10 EGCDRO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1=O ZINC000773006560 1303606134 /nfs/dbraw/zinc/60/61/34/1303606134.db2.gz LWGBRYSNADGRLQ-WMZOPIPTSA-N 1 0 329.488 3.337 20 10 EGCDRO Cc1ncc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000773075635 1303619160 /nfs/dbraw/zinc/61/91/60/1303619160.db2.gz JNRXSKJPRBFFSW-ZDUSSCGKSA-N 1 0 349.475 3.321 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000773107611 1303626414 /nfs/dbraw/zinc/62/64/14/1303626414.db2.gz YIQDCZSWYYDQHM-JKSUJKDBSA-N 1 0 338.517 3.151 20 10 EGCDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@@H+]1CCCC[C@H]1C ZINC000773198715 1303642028 /nfs/dbraw/zinc/64/20/28/1303642028.db2.gz OLZUZEIXODSNFA-ZACQAIPSSA-N 1 0 346.519 3.376 20 10 EGCDRO CCN(C)c1ccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000773809332 1303740457 /nfs/dbraw/zinc/74/04/57/1303740457.db2.gz BHNFMLJUTVRQIQ-XXBNENTESA-N 1 0 330.497 3.352 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1ccccc1 ZINC000774480357 1303814852 /nfs/dbraw/zinc/81/48/52/1303814852.db2.gz AWKZFODWMPTALT-IAGOWNOFSA-N 1 0 339.483 3.151 20 10 EGCDRO COc1c(O)c(C[N@@H+]2Cc3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000774909444 1303876073 /nfs/dbraw/zinc/87/60/73/1303876073.db2.gz QCBRHBHVPJGSLI-GFCCVEGCSA-N 1 0 328.368 3.256 20 10 EGCDRO Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c(O)c1O ZINC000775443930 1303965399 /nfs/dbraw/zinc/96/53/99/1303965399.db2.gz BMUAAMHUMGUCOV-UHFFFAOYSA-N 1 0 334.460 3.181 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000775648204 1304004348 /nfs/dbraw/zinc/00/43/48/1304004348.db2.gz CXNOWXWKEUQVGQ-MRXNPFEDSA-N 1 0 325.456 3.386 20 10 EGCDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775984358 1304074488 /nfs/dbraw/zinc/07/44/88/1304074488.db2.gz FQOLNTDDIULJFJ-HOTGVXAUSA-N 1 0 346.475 3.110 20 10 EGCDRO C[C@@H]1[C@H](C)N(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000775987837 1304076069 /nfs/dbraw/zinc/07/60/69/1304076069.db2.gz WMHSYIRZZXEIOO-CVEARBPZSA-N 1 0 346.475 3.110 20 10 EGCDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776236625 1304118671 /nfs/dbraw/zinc/11/86/71/1304118671.db2.gz AFUPIJFYPHPCKG-INIZCTEOSA-N 1 0 346.519 3.329 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000776253655 1304120695 /nfs/dbraw/zinc/12/06/95/1304120695.db2.gz URJJBYIFTAIXQU-UHFFFAOYSA-N 1 0 326.440 3.130 20 10 EGCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000776810358 1304203185 /nfs/dbraw/zinc/20/31/85/1304203185.db2.gz DZCZFMRBKBZEOU-NVXWUHKLSA-N 1 0 333.476 3.099 20 10 EGCDRO C[C@@H]([NH2+]CCOC1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000777121647 1304254798 /nfs/dbraw/zinc/25/47/98/1304254798.db2.gz OPZCNKDTZHHVNE-CQSZACIVSA-N 1 0 338.879 3.396 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000779021704 1304519632 /nfs/dbraw/zinc/51/96/32/1304519632.db2.gz GKGGOKZAXIXXAD-YPMHNXCESA-N 1 0 339.277 3.350 20 10 EGCDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1O ZINC000779034232 1304520840 /nfs/dbraw/zinc/52/08/40/1304520840.db2.gz QRJITVVBXFTRCL-OLZOCXBDSA-N 1 0 338.423 3.266 20 10 EGCDRO Cc1cc(O)c(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1C(C)C ZINC000780510606 1304702317 /nfs/dbraw/zinc/70/23/17/1304702317.db2.gz HGYAXMSHTGABJT-INIZCTEOSA-N 1 0 334.504 3.101 20 10 EGCDRO Cc1noc(C2(C)CC[NH+](Cc3c(O)ccc4ccncc43)CC2)n1 ZINC000781151108 1304779271 /nfs/dbraw/zinc/77/92/71/1304779271.db2.gz VVOXTBALQYQQPC-UHFFFAOYSA-N 1 0 338.411 3.186 20 10 EGCDRO COC(=O)c1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000781897689 1304887293 /nfs/dbraw/zinc/88/72/93/1304887293.db2.gz SFCDMQAGRQPGHW-UHFFFAOYSA-N 1 0 329.444 3.278 20 10 EGCDRO COc1ccc(C[N@H+](C)CCOc2cccc(C)c2)c(O)c1OC ZINC000891529126 1305080624 /nfs/dbraw/zinc/08/06/24/1305080624.db2.gz NQSCHFFNKLBWSR-UHFFFAOYSA-N 1 0 331.412 3.229 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000783626166 1305119432 /nfs/dbraw/zinc/11/94/32/1305119432.db2.gz JVUPJCHXWAGCOQ-WMLDXEAASA-N 1 0 338.879 3.026 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCc3ccc(OC)cc3CC2)c(O)c1 ZINC000784679767 1305272110 /nfs/dbraw/zinc/27/21/10/1305272110.db2.gz MYFMODFMHORHJG-UHFFFAOYSA-N 1 0 327.424 3.400 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(OC(C)C)cc2)c(O)c1OC ZINC000892544424 1305433875 /nfs/dbraw/zinc/43/38/75/1305433875.db2.gz FWKPZQGVXPSELD-UHFFFAOYSA-N 1 0 331.412 3.486 20 10 EGCDRO CCCCN1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892944524 1305618894 /nfs/dbraw/zinc/61/88/94/1305618894.db2.gz QWUXTEDWLVBMQN-INIZCTEOSA-N 1 0 336.476 3.154 20 10 EGCDRO COc1ccc(C[NH2+]CCOc2ccccc2Cl)c(O)c1OC ZINC000893187263 1305751122 /nfs/dbraw/zinc/75/11/22/1305751122.db2.gz NOAGLQNUINSWLO-UHFFFAOYSA-N 1 0 337.803 3.231 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000789300566 1306135534 /nfs/dbraw/zinc/13/55/34/1306135534.db2.gz PRBRGFFOBRJDBE-ZDUSSCGKSA-N 1 0 340.423 3.161 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1O ZINC000894150181 1306247057 /nfs/dbraw/zinc/24/70/57/1306247057.db2.gz VTSLWFKNDXTQOH-UHFFFAOYSA-N 1 0 340.467 3.463 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCCc2nc3ccccc3[nH]2)c1O ZINC000894206585 1306277178 /nfs/dbraw/zinc/27/71/78/1306277178.db2.gz JUDZDSRYITUIEN-UHFFFAOYSA-N 1 0 325.412 3.308 20 10 EGCDRO CCN(CC)[C@@H](C[NH2+]Cc1cc(C)cc(OC)c1O)c1ccco1 ZINC000894208302 1306278951 /nfs/dbraw/zinc/27/89/51/1306278951.db2.gz FXQXDGLPMLPNAL-INIZCTEOSA-N 1 0 332.444 3.475 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2cccc(OC(C)C)c2)c1O ZINC000894259097 1306305619 /nfs/dbraw/zinc/30/56/19/1306305619.db2.gz AEBJEDDLKBLLPY-GOSISDBHSA-N 1 0 345.439 3.320 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)c1O ZINC000894262838 1306308779 /nfs/dbraw/zinc/30/87/79/1306308779.db2.gz WUFFLXVYPVPNEH-SFHVURJKSA-N 1 0 345.439 3.320 20 10 EGCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H](C)O2 ZINC000790395071 1306315515 /nfs/dbraw/zinc/31/55/15/1306315515.db2.gz BGTZGWPMJBLJAA-ARGWCVDVSA-N 1 0 349.471 3.164 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000894363869 1306361931 /nfs/dbraw/zinc/36/19/31/1306361931.db2.gz HEUCFECDVPOUSU-ZAMGYDSWSA-N 1 0 333.453 3.297 20 10 EGCDRO C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Br)c2[O-])C1 ZINC000809767937 1317896760 /nfs/dbraw/zinc/89/67/60/1317896760.db2.gz YMERPCAUQJPQOP-DOMZBBRYSA-N 1 0 339.277 3.071 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000791003311 1308907727 /nfs/dbraw/zinc/90/77/27/1308907727.db2.gz MOZHJVWXAVGHKH-YWZLYKJASA-N 1 0 329.440 3.120 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c(O)c1OC ZINC000894750237 1309048906 /nfs/dbraw/zinc/04/89/06/1309048906.db2.gz AKTNNQXKEKUOPK-UKRRQHHQSA-N 1 0 349.452 3.481 20 10 EGCDRO CCN(CC)C(=O)CN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792760407 1309225163 /nfs/dbraw/zinc/22/51/63/1309225163.db2.gz HXQLUHHICVPXLA-UHFFFAOYSA-N 1 0 345.409 3.072 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000792842025 1309244000 /nfs/dbraw/zinc/24/40/00/1309244000.db2.gz DCIFDPDEPADQPK-XJKSGUPXSA-N 1 0 330.394 3.364 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000792994152 1309278268 /nfs/dbraw/zinc/27/82/68/1309278268.db2.gz YDRBVNMBQFGQPG-HNNXBMFYSA-N 1 0 342.361 3.496 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CN1C1CC1 ZINC000793011507 1309280646 /nfs/dbraw/zinc/28/06/46/1309280646.db2.gz IRNXBBHCRWKQOB-JSGCOSHPSA-N 1 0 341.421 3.486 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000793208073 1309316988 /nfs/dbraw/zinc/31/69/88/1309316988.db2.gz WQMJVNLGBOYAEX-UHFFFAOYSA-N 1 0 345.873 3.191 20 10 EGCDRO CCCn1c(C[NH2+]Cc2ccc(OC)cc2O)nc2ccccc21 ZINC000793389090 1309361508 /nfs/dbraw/zinc/36/15/08/1309361508.db2.gz VFARDAFOJZRBCF-UHFFFAOYSA-N 1 0 325.412 3.450 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000793620959 1309419350 /nfs/dbraw/zinc/41/93/50/1309419350.db2.gz UZQUPXGKUYOUMG-CQSZACIVSA-N 1 0 333.453 3.345 20 10 EGCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895815074 1309532534 /nfs/dbraw/zinc/53/25/34/1309532534.db2.gz ZGYJMKBDJUUHMI-INIZCTEOSA-N 1 0 331.504 3.160 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794666020 1309566894 /nfs/dbraw/zinc/56/68/94/1309566894.db2.gz MIGREUKPHJINHY-QRWLVFNGSA-N 1 0 333.472 3.378 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccc(C)cc1O ZINC000794797568 1309597199 /nfs/dbraw/zinc/59/71/99/1309597199.db2.gz OJTGKKNYGWBOOY-KRWDZBQOSA-N 1 0 330.428 3.362 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Br)ccc1O ZINC000794836019 1309605218 /nfs/dbraw/zinc/60/52/18/1309605218.db2.gz RJYYMQYYCDCASX-GWCFXTLKSA-N 1 0 328.250 3.356 20 10 EGCDRO CCCSC[C@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000896054072 1309676805 /nfs/dbraw/zinc/67/68/05/1309676805.db2.gz OWBURRPIQMYBLI-HNNXBMFYSA-N 1 0 349.544 3.010 20 10 EGCDRO COc1cc(C)cc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)c1O ZINC000795741032 1309824250 /nfs/dbraw/zinc/82/42/50/1309824250.db2.gz DQVCMTDCJYUWCY-UHFFFAOYSA-N 1 0 348.487 3.322 20 10 EGCDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796485370 1310013222 /nfs/dbraw/zinc/01/32/22/1310013222.db2.gz YBRLSLZXTQOSHO-ZFWWWQNUSA-N 1 0 335.473 3.426 20 10 EGCDRO CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796727892 1310073957 /nfs/dbraw/zinc/07/39/57/1310073957.db2.gz JGVJTOMIKKRSCZ-MPGHIAIKSA-N 1 0 338.467 3.461 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1O ZINC000896984399 1310120258 /nfs/dbraw/zinc/12/02/58/1310120258.db2.gz JPYJHDGHBBLTCQ-HNNXBMFYSA-N 1 0 334.460 3.437 20 10 EGCDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000798266117 1310330105 /nfs/dbraw/zinc/33/01/05/1310330105.db2.gz LLDNMECZFFOBRU-QGZVFWFLSA-N 1 0 340.471 3.045 20 10 EGCDRO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817976426 1319483503 /nfs/dbraw/zinc/48/35/03/1319483503.db2.gz LVGVYLPAHYXWQZ-ZJUUUORDSA-N 1 0 333.245 3.462 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC[C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000897535643 1310367628 /nfs/dbraw/zinc/36/76/28/1310367628.db2.gz CGUCAPDGVNOEQQ-JXFKEZNVSA-N 1 0 332.488 3.195 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)c1ccc(C(F)(F)F)cc1O ZINC000897890554 1310507711 /nfs/dbraw/zinc/50/77/11/1310507711.db2.gz SCADMYFNJGEKIW-UMVBOHGHSA-N 1 0 333.350 3.256 20 10 EGCDRO COCC1CCC([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898449372 1310740461 /nfs/dbraw/zinc/74/04/61/1310740461.db2.gz CUHPZYFLLSYQMS-OUNSHVDWSA-N 1 0 333.520 3.150 20 10 EGCDRO CCC1(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CCOCC1 ZINC000898450240 1310742236 /nfs/dbraw/zinc/74/22/36/1310742236.db2.gz PEOCRIDHNPOQRV-LJQANCHMSA-N 1 0 333.520 3.152 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCOC(F)F)c(C(F)(F)F)c1 ZINC000800895182 1310829366 /nfs/dbraw/zinc/82/93/66/1310829366.db2.gz FVSCRYVRTMAJRP-UHFFFAOYSA-N 1 0 326.309 3.490 20 10 EGCDRO CCCC[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1O ZINC000801596235 1310971657 /nfs/dbraw/zinc/97/16/57/1310971657.db2.gz VDZRAXLUZJDVLR-UHFFFAOYSA-N 1 0 342.439 3.059 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccnn3CC3CC3)CC2)cc1 ZINC000824604869 1320269657 /nfs/dbraw/zinc/26/96/57/1320269657.db2.gz CMKUSDZATMGBCC-UHFFFAOYSA-N 1 0 340.471 3.014 20 10 EGCDRO CCCn1nccc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000824604974 1320269818 /nfs/dbraw/zinc/26/98/18/1320269818.db2.gz DTRSNMZCDJHLNL-UHFFFAOYSA-N 1 0 328.460 3.014 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C[C@H]1C ZINC000824815679 1320287605 /nfs/dbraw/zinc/28/76/05/1320287605.db2.gz WREBUQHJYKGIIP-RISCZKNCSA-N 1 0 328.250 3.320 20 10 EGCDRO COc1cc(O)c(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1OC ZINC000824971371 1320300864 /nfs/dbraw/zinc/30/08/64/1320300864.db2.gz RIIIJSNDYFWSLZ-AWEZNQCLSA-N 1 0 334.243 3.473 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000826019662 1320379032 /nfs/dbraw/zinc/37/90/32/1320379032.db2.gz IRJCQXURGSKVJD-FQEVSTJZSA-N 1 0 339.483 3.061 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)c1ccccc1 ZINC000839564642 1320938319 /nfs/dbraw/zinc/93/83/19/1320938319.db2.gz WKYIGQRLTTVZOM-HZPDHXFCSA-N 1 0 325.456 3.455 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000802096381 1316979203 /nfs/dbraw/zinc/97/92/03/1316979203.db2.gz NZOGPWGGKZZFJA-INIZCTEOSA-N 1 0 335.492 3.434 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)(C)C ZINC000802648748 1317021431 /nfs/dbraw/zinc/02/14/31/1317021431.db2.gz PXYMDNGTXMENHU-DOTOQJQBSA-N 1 0 331.504 3.160 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@]3(C)C=CCC3)C2)cc1C ZINC001019248953 1317123848 /nfs/dbraw/zinc/12/38/48/1317123848.db2.gz JCFBIZJVLVOBPV-PXNSSMCTSA-N 1 0 328.456 3.050 20 10 EGCDRO CC(=O)Nc1ccc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858125943 1328689436 /nfs/dbraw/zinc/68/94/36/1328689436.db2.gz OJEMWWSVVMDACA-UHFFFAOYSA-N 1 0 347.409 3.322 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000858137340 1328692187 /nfs/dbraw/zinc/69/21/87/1328692187.db2.gz MWYSOLRKHRMCGF-UHFFFAOYSA-N 1 0 348.240 3.422 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](CCO)c2ccccc2)cc1F ZINC000858142767 1328694667 /nfs/dbraw/zinc/69/46/67/1328694667.db2.gz LUZDAQKVONGKKP-OAHLLOKOSA-N 1 0 334.410 3.287 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(F)s3)C2)cc1C ZINC001019862319 1317453632 /nfs/dbraw/zinc/45/36/32/1317453632.db2.gz KHHYLVJWQHOPND-AWEZNQCLSA-N 1 0 348.443 3.209 20 10 EGCDRO Oc1cccc2c1C[C@H]([NH2+]Cc1c(O)cccc1Br)C2 ZINC000858160261 1328699996 /nfs/dbraw/zinc/69/99/96/1328699996.db2.gz GJPVKBLWVSDJCL-LLVKDONJSA-N 1 0 334.213 3.117 20 10 EGCDRO FC(F)(F)[C@H]1C[C@H]([NH2+]CCCSc2nccs2)CCO1 ZINC000806139900 1317464524 /nfs/dbraw/zinc/46/45/24/1317464524.db2.gz FLEZKCDYQHNKTK-NXEZZACHSA-N 1 0 326.409 3.325 20 10 EGCDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000807141754 1317553217 /nfs/dbraw/zinc/55/32/17/1317553217.db2.gz VIUYVVLKLPGNNK-TXPKVOOTSA-N 1 0 344.503 3.082 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000858186073 1328706792 /nfs/dbraw/zinc/70/67/92/1328706792.db2.gz PUOCTPWVXRBBOI-GJZGRUSLSA-N 1 0 339.277 3.261 20 10 EGCDRO CNc1ccccc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902724439 1317608766 /nfs/dbraw/zinc/60/87/66/1317608766.db2.gz ZLZARXCCVJNFRS-FQEVSTJZSA-N 1 0 326.488 3.187 20 10 EGCDRO CCn1nncc1C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000858202606 1328710447 /nfs/dbraw/zinc/71/04/47/1328710447.db2.gz DSPGXMYFLNGNHW-UHFFFAOYSA-N 1 0 341.484 3.286 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)cc1C ZINC001020319747 1317641638 /nfs/dbraw/zinc/64/16/38/1317641638.db2.gz WPEOHUAOCQZPBI-FVVUREQNSA-N 1 0 342.483 3.177 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000858221742 1328713991 /nfs/dbraw/zinc/71/39/91/1328713991.db2.gz MCCJQZASCDABMR-KRWDZBQOSA-N 1 0 333.476 3.010 20 10 EGCDRO COCC(C)(C)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000808428225 1317675794 /nfs/dbraw/zinc/67/57/94/1317675794.db2.gz DAQIDZRCSMWPQV-UHFFFAOYSA-N 1 0 338.467 3.205 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1C ZINC000808436233 1317677239 /nfs/dbraw/zinc/67/72/39/1317677239.db2.gz RMISFUQRLSVZEC-MRXNPFEDSA-N 1 0 342.439 3.109 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1O ZINC000808680817 1317715346 /nfs/dbraw/zinc/71/53/46/1317715346.db2.gz PSOXYCXBYCBGEA-LRDDRELGSA-N 1 0 349.862 3.271 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1O ZINC000808729477 1317724150 /nfs/dbraw/zinc/72/41/50/1317724150.db2.gz KQJIXFHFAPHNKY-BKGUAONASA-N 1 0 333.815 3.499 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)c3ccco3)C2)cc1C ZINC001020576837 1317785927 /nfs/dbraw/zinc/78/59/27/1317785927.db2.gz HJXIYDDMXGFERL-XIRDDKMYSA-N 1 0 342.439 3.137 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c1 ZINC000858251359 1328722968 /nfs/dbraw/zinc/72/29/68/1328722968.db2.gz VTHHLOSZZJUDJV-UHFFFAOYSA-N 1 0 328.412 3.063 20 10 EGCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000809632089 1317852142 /nfs/dbraw/zinc/85/21/42/1317852142.db2.gz KDEOGQDTVWWTOY-FUHWJXTLSA-N 1 0 331.504 3.160 20 10 EGCDRO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000809691017 1317865142 /nfs/dbraw/zinc/86/51/42/1317865142.db2.gz GWTYAUXWTINLMP-MRXNPFEDSA-N 1 0 338.423 3.412 20 10 EGCDRO CN(C)c1ccc(CN(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000809736070 1317885030 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EGCDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404357 1320176214 /nfs/dbraw/zinc/17/62/14/1320176214.db2.gz PRYJOEPFWKAFQE-UHFFFAOYSA-N 1 0 345.512 3.328 20 10 EGCDRO OC[C@@H]([C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1)C1CC1 ZINC000824845676 1320290482 /nfs/dbraw/zinc/29/04/82/1320290482.db2.gz MVGOSYNIBIRNPM-ZBFHGGJFSA-N 1 0 340.261 3.041 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000825016718 1320304136 /nfs/dbraw/zinc/30/41/36/1320304136.db2.gz GXHCEHGEADZBMW-KBXCAEBGSA-N 1 0 326.444 3.156 20 10 EGCDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000825104364 1320310632 /nfs/dbraw/zinc/31/06/32/1320310632.db2.gz VBHWHNHWMRQHHQ-RTBURBONSA-N 1 0 348.462 3.052 20 10 EGCDRO C[C@@H](O)c1ccc(C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825138489 1320314656 /nfs/dbraw/zinc/31/46/56/1320314656.db2.gz NMEVHYIQQFXHFN-LLVKDONJSA-N 1 0 336.229 3.498 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825246964 1320321190 /nfs/dbraw/zinc/32/11/90/1320321190.db2.gz MPMFLGKJBQFMOV-CYBMUJFWSA-N 1 0 341.293 3.365 20 10 EGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000825406510 1320336304 /nfs/dbraw/zinc/33/63/04/1320336304.db2.gz UPOZVTGAAGWNKO-ZFWWWQNUSA-N 1 0 328.250 3.448 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1Cl ZINC000825537333 1320346247 /nfs/dbraw/zinc/34/62/47/1320346247.db2.gz VCYDAJMJMMQSQC-LLVKDONJSA-N 1 0 328.840 3.357 20 10 EGCDRO Cc1cc(O)c(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1Cl ZINC000825720149 1320357136 /nfs/dbraw/zinc/35/71/36/1320357136.db2.gz AUZWOQQIIRTNBK-CQSZACIVSA-N 1 0 338.879 3.039 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840178270 1321044708 /nfs/dbraw/zinc/04/47/08/1321044708.db2.gz OCDNXIZSNASBRH-HNNXBMFYSA-N 1 0 332.488 3.162 20 10 EGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000840186436 1321045450 /nfs/dbraw/zinc/04/54/50/1321045450.db2.gz ZLUOZLASKAGZPB-HXUWFJFHSA-N 1 0 343.423 3.329 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CC1(C)C ZINC000840714900 1321133019 /nfs/dbraw/zinc/13/30/19/1321133019.db2.gz NIELYOPRKNSQJZ-QRQLOZEOSA-N 1 0 343.515 3.303 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000840808761 1321153616 /nfs/dbraw/zinc/15/36/16/1321153616.db2.gz LPLHMQLAYAKPMC-JDFRZJQESA-N 1 0 345.414 3.454 20 10 EGCDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(N(C)C)cc1C)c1ccncc1 ZINC000840939382 1321181955 /nfs/dbraw/zinc/18/19/55/1321181955.db2.gz WYUZBDOFHMCDDJ-HXUWFJFHSA-N 1 0 341.455 3.024 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000840950715 1321184465 /nfs/dbraw/zinc/18/44/65/1321184465.db2.gz NDMUZWGLEDBQEG-UYAOXDASSA-N 1 0 325.456 3.466 20 10 EGCDRO COCC[C@H](C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840954297 1321185643 /nfs/dbraw/zinc/18/56/43/1321185643.db2.gz BSDWUCNWMZOINF-HNNXBMFYSA-N 1 0 335.448 3.347 20 10 EGCDRO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C)C2)c1O ZINC000840962157 1321187879 /nfs/dbraw/zinc/18/78/79/1321187879.db2.gz IQWQCUBFKARGIG-MRXNPFEDSA-N 1 0 326.440 3.107 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c1O ZINC000840962870 1321187967 /nfs/dbraw/zinc/18/79/67/1321187967.db2.gz GWIVGCFIJHOXMN-UTUOFQBUSA-N 1 0 328.250 3.366 20 10 EGCDRO Cc1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1O ZINC000840972540 1321191655 /nfs/dbraw/zinc/19/16/55/1321191655.db2.gz PLWGIMCCLNHENS-HXUWFJFHSA-N 1 0 341.451 3.321 20 10 EGCDRO COc1cc(Cl)cc(CNCC[NH2+]C2CCCCCC2)c1O ZINC000841029156 1321203596 /nfs/dbraw/zinc/20/35/96/1321203596.db2.gz USOPKEPMABCRNB-UHFFFAOYSA-N 1 0 326.868 3.456 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000841043552 1321208410 /nfs/dbraw/zinc/20/84/10/1321208410.db2.gz PGBLGFQXBWAPGJ-QGZVFWFLSA-N 1 0 348.288 3.305 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(Cl)cc3c2OCC3)cc1 ZINC000841045767 1321209232 /nfs/dbraw/zinc/20/92/32/1321209232.db2.gz POHHNZLAWDUYOO-GOSISDBHSA-N 1 0 345.874 3.131 20 10 EGCDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841072087 1321213698 /nfs/dbraw/zinc/21/36/98/1321213698.db2.gz FYQMKDJZEKTKES-SFHVURJKSA-N 1 0 346.475 3.063 20 10 EGCDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)CC1 ZINC000841300818 1321249929 /nfs/dbraw/zinc/24/99/29/1321249929.db2.gz WCXFMPLLPNHGEP-INIZCTEOSA-N 1 0 330.476 3.245 20 10 EGCDRO C[NH2+]Cc1ccccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841307927 1321252183 /nfs/dbraw/zinc/25/21/83/1321252183.db2.gz LTMWJMQIHFEBRL-UHFFFAOYSA-N 1 0 339.439 3.312 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841745013 1321305893 /nfs/dbraw/zinc/30/58/93/1321305893.db2.gz MJLUGFQMNRKCIC-FZMZJTMJSA-N 1 0 339.794 3.275 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841751178 1321306783 /nfs/dbraw/zinc/30/67/83/1321306783.db2.gz MDHPHICKNFGWAV-XGWLTEMNSA-N 1 0 335.831 3.181 20 10 EGCDRO C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841757266 1321307311 /nfs/dbraw/zinc/30/73/11/1321307311.db2.gz CTJIEDPXNTWKJS-UONOGXRCSA-N 1 0 338.879 3.197 20 10 EGCDRO CCn1cncc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000841864843 1321325224 /nfs/dbraw/zinc/32/52/24/1321325224.db2.gz ZFFBKTDYSKNVOH-INIZCTEOSA-N 1 0 348.878 3.016 20 10 EGCDRO COc1cc(NCc2cccc(C)c2O)ccc1OCC[NH+](C)C ZINC000841893314 1321327829 /nfs/dbraw/zinc/32/78/29/1321327829.db2.gz IHYHYNAUIJCQQQ-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000841926319 1321330345 /nfs/dbraw/zinc/33/03/45/1321330345.db2.gz GHZCMDHLICXURQ-WMZOPIPTSA-N 1 0 346.519 3.062 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000841949673 1321331684 /nfs/dbraw/zinc/33/16/84/1321331684.db2.gz POGNASXWWUWKIS-KRWDZBQOSA-N 1 0 327.428 3.014 20 10 EGCDRO C[C@@H](CCCC[NH3+])NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841994152 1321334054 /nfs/dbraw/zinc/33/40/54/1321334054.db2.gz ILBGPVOUVYAZIA-KRWDZBQOSA-N 1 0 346.519 3.336 20 10 EGCDRO Cc1cc(C(O)=CONC(=[NH2+])CC2CC2)c(C)n1-c1ccc(F)cn1 ZINC000842032915 1321337825 /nfs/dbraw/zinc/33/78/25/1321337825.db2.gz JNFGLUOYWMYYRF-UHFFFAOYSA-N 1 0 344.390 3.110 20 10 EGCDRO CN(Cc1ccc(OCc2ccccc2)cc1O)C1(C[NH3+])CCC1 ZINC000843125303 1321473175 /nfs/dbraw/zinc/47/31/75/1321473175.db2.gz RRKSPKJCUFHHAU-UHFFFAOYSA-N 1 0 326.440 3.284 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1cc(Cl)ccc1F ZINC000843350546 1321504215 /nfs/dbraw/zinc/50/42/15/1321504215.db2.gz UTWXBBTUXVOXDM-UHFFFAOYSA-N 1 0 347.821 3.329 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1N1CCOCC1 ZINC000843415933 1321514502 /nfs/dbraw/zinc/51/45/02/1321514502.db2.gz FHSHLVFSPUANIM-HKUYNNGSSA-N 1 0 348.462 3.053 20 10 EGCDRO Fc1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)ccc1N1CCOCC1 ZINC000843419947 1321515305 /nfs/dbraw/zinc/51/53/05/1321515305.db2.gz WXYIHQCLMQVKMO-GOSISDBHSA-N 1 0 341.430 3.047 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CCc2cn3c(cccc3C)n2)c1O ZINC000843436946 1321518307 /nfs/dbraw/zinc/51/83/07/1321518307.db2.gz SFEHGABTQMZQOG-UHFFFAOYSA-N 1 0 345.830 3.343 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000844205112 1321578499 /nfs/dbraw/zinc/57/84/99/1321578499.db2.gz XSQIPOJMPUAJBQ-QGZVFWFLSA-N 1 0 343.515 3.314 20 10 EGCDRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+]1CCCC[C@H]1C ZINC000844879612 1321653651 /nfs/dbraw/zinc/65/36/51/1321653651.db2.gz IXACURLAYNMEKL-OLZOCXBDSA-N 1 0 339.867 3.108 20 10 EGCDRO OC[C@@H](CCF)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000846096852 1321767225 /nfs/dbraw/zinc/76/72/25/1321767225.db2.gz CQRUDLKMLXWGOG-LJQANCHMSA-N 1 0 328.431 3.059 20 10 EGCDRO CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000846106648 1321767796 /nfs/dbraw/zinc/76/77/96/1321767796.db2.gz DDQZEUJKCAWBOV-GDBMZVCRSA-N 1 0 347.377 3.383 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c1O ZINC000846136033 1321770135 /nfs/dbraw/zinc/77/01/35/1321770135.db2.gz GENFEHOJQAEFSU-GDBMZVCRSA-N 1 0 330.428 3.482 20 10 EGCDRO COc1cccc([C@@H](C)NCc2nccc(C(F)(F)F)n2)c1O ZINC000846172343 1321774110 /nfs/dbraw/zinc/77/41/10/1321774110.db2.gz LKMUDVDMAZRJJS-SECBINFHSA-N 1 0 327.306 3.060 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000846210199 1321776374 /nfs/dbraw/zinc/77/63/74/1321776374.db2.gz LJSLMEMVURDZCB-UHFFFAOYSA-N 1 0 346.519 3.064 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC/C=C/c2ccccc2)cc1 ZINC000846662959 1321799344 /nfs/dbraw/zinc/79/93/44/1321799344.db2.gz CIQOFPKDGVLFQP-FXVWLTTGSA-N 1 0 337.467 3.362 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1)C1CCCCC1 ZINC000846672306 1321800715 /nfs/dbraw/zinc/80/07/15/1321800715.db2.gz GJHGTGZVKFMMGO-GOSISDBHSA-N 1 0 343.515 3.461 20 10 EGCDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000848565660 1321976893 /nfs/dbraw/zinc/97/68/93/1321976893.db2.gz REHGJWGDLDMZSD-CVEARBPZSA-N 1 0 343.446 3.339 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c1O ZINC000848884730 1322028118 /nfs/dbraw/zinc/02/81/18/1322028118.db2.gz FLRJSMFHHZLVEB-UHFFFAOYSA-N 1 0 342.439 3.250 20 10 EGCDRO CCc1cccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1O ZINC000848886897 1322030271 /nfs/dbraw/zinc/03/02/71/1322030271.db2.gz KEJPDKOZYNEGEA-MRXNPFEDSA-N 1 0 325.456 3.228 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1O ZINC000848893176 1322032746 /nfs/dbraw/zinc/03/27/46/1322032746.db2.gz RHQURVKPSFXMPE-HXUWFJFHSA-N 1 0 340.467 3.118 20 10 EGCDRO COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)o1 ZINC000848896271 1322036488 /nfs/dbraw/zinc/03/64/88/1322036488.db2.gz WXBWNVOIBKOBJT-MDZDMXLPSA-N 1 0 328.412 3.130 20 10 EGCDRO Cc1cnc(OC2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)nc1 ZINC000848925384 1322047189 /nfs/dbraw/zinc/04/71/89/1322047189.db2.gz UHPJKSVKEYMSKT-UHFFFAOYSA-N 1 0 344.434 3.034 20 10 EGCDRO COc1cc(C[NH2+]C2CCC(NC(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850113619 1322193650 /nfs/dbraw/zinc/19/36/50/1322193650.db2.gz OSXKCHACMMTPFL-UHFFFAOYSA-N 1 0 348.487 3.235 20 10 EGCDRO COc1cc(C[NH2+]C[C@H](OC)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850135712 1322197482 /nfs/dbraw/zinc/19/74/82/1322197482.db2.gz PPBGJDRIELNWKS-ZDUSSCGKSA-N 1 0 335.366 3.365 20 10 EGCDRO COc1cc(C[NH2+]C(C)(C)c2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850158524 1322200926 /nfs/dbraw/zinc/20/09/26/1322200926.db2.gz HNMQIMQGJLDAAS-UHFFFAOYSA-N 1 0 331.460 3.457 20 10 EGCDRO COc1cc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850281615 1322222108 /nfs/dbraw/zinc/22/21/08/1322222108.db2.gz LQDMEATZSGRKID-HNNXBMFYSA-N 1 0 348.487 3.046 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](OC)C3CCCC3)CC2)cc1 ZINC000850401064 1322239049 /nfs/dbraw/zinc/23/90/49/1322239049.db2.gz UDEYFRRUTHSFNK-HXUWFJFHSA-N 1 0 332.488 3.459 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1F ZINC000850419344 1322244532 /nfs/dbraw/zinc/24/45/32/1322244532.db2.gz WLQCHBNHACEEGT-INIZCTEOSA-N 1 0 342.336 3.132 20 10 EGCDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000850429740 1322247240 /nfs/dbraw/zinc/24/72/40/1322247240.db2.gz IISOAPYBMWSWAV-GFCCVEGCSA-N 1 0 328.368 3.389 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000850557139 1322266221 /nfs/dbraw/zinc/26/62/21/1322266221.db2.gz LLBZZGWCZIDZMY-VQTJNVASSA-N 1 0 331.504 3.047 20 10 EGCDRO C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1O ZINC000850558570 1322267307 /nfs/dbraw/zinc/26/73/07/1322267307.db2.gz ZZEKANRDFZBFDG-MAUKXSAKSA-N 1 0 340.467 3.449 20 10 EGCDRO C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1O ZINC000850558569 1322267427 /nfs/dbraw/zinc/26/74/27/1322267427.db2.gz ZZEKANRDFZBFDG-CRAIPNDOSA-N 1 0 340.467 3.449 20 10 EGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C(C)(C)O1 ZINC000850566985 1322269389 /nfs/dbraw/zinc/26/93/89/1322269389.db2.gz VSAHTBVWFOAXNA-SFHVURJKSA-N 1 0 332.488 3.083 20 10 EGCDRO CO[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000851718415 1323072291 /nfs/dbraw/zinc/07/22/91/1323072291.db2.gz XCOIYMBGFGOJKQ-HXUWFJFHSA-N 1 0 332.488 3.160 20 10 EGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000851949992 1323121323 /nfs/dbraw/zinc/12/13/23/1323121323.db2.gz LCXDDOQUMNDPTQ-LBPRGKRZSA-N 1 0 332.835 3.090 20 10 EGCDRO CC(C)[NH2+]CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000852882643 1323249887 /nfs/dbraw/zinc/24/98/87/1323249887.db2.gz NPZZGXQATRIYCV-MRXNPFEDSA-N 1 0 326.440 3.480 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C)cc1C ZINC001025046348 1323849718 /nfs/dbraw/zinc/84/97/18/1323849718.db2.gz PTQFQKSKPKERDI-QGTPRVQTSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@@H]3C[C@H]3C)CC2)cc1C ZINC001026541247 1324877197 /nfs/dbraw/zinc/87/71/97/1324877197.db2.gz OHPCWECOBQNMQX-HELAGCTPSA-N 1 0 330.472 3.177 20 10 EGCDRO CC(C)C[NH2+]C1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001026612221 1324933602 /nfs/dbraw/zinc/93/36/02/1324933602.db2.gz ASSPXIKLDXXJHI-UHFFFAOYSA-N 1 0 345.447 3.136 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853555669 1325122387 /nfs/dbraw/zinc/12/23/87/1325122387.db2.gz MYYVCJFHDCJPAZ-CRAIPNDOSA-N 1 0 344.499 3.353 20 10 EGCDRO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1O ZINC000854223385 1325231259 /nfs/dbraw/zinc/23/12/59/1325231259.db2.gz DNAREQZTYYSMBZ-XHBKTUGNSA-N 1 0 332.394 3.467 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[C@H](C)[NH+](C)C)c2C)cc1 ZINC000855411029 1325379482 /nfs/dbraw/zinc/37/94/82/1325379482.db2.gz LXARTEBINFYLGP-AWEZNQCLSA-N 1 0 343.471 3.173 20 10 EGCDRO CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698797 1328111260 /nfs/dbraw/zinc/11/12/60/1328111260.db2.gz RIUIXLHISNVQPE-INIZCTEOSA-N 1 0 345.447 3.041 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000862760107 1329507452 /nfs/dbraw/zinc/50/74/52/1329507452.db2.gz MLYXYVKMAJMOLD-IBGZPJMESA-N 1 0 338.451 3.372 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(F)c1 ZINC000865633233 1329723078 /nfs/dbraw/zinc/72/30/78/1329723078.db2.gz ZDVKMCDQIQRLGE-UHFFFAOYSA-N 1 0 328.431 3.385 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C ZINC000865782976 1329738163 /nfs/dbraw/zinc/73/81/63/1329738163.db2.gz IVWGQWGFVXQYHS-OAHLLOKOSA-N 1 0 347.480 3.306 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)c1 ZINC000866473405 1330116823 /nfs/dbraw/zinc/11/68/23/1330116823.db2.gz CSCAKANHDVCZEY-HNNXBMFYSA-N 1 0 343.496 3.500 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCCC2CC[NH+](C(C)C)CC2)c1 ZINC000868947820 1330380540 /nfs/dbraw/zinc/38/05/40/1330380540.db2.gz NLWKNTVOUURWLI-UHFFFAOYSA-N 1 0 333.476 3.010 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccsc3C)C2)cc1C ZINC000968621683 1335986981 /nfs/dbraw/zinc/98/69/81/1335986981.db2.gz STAQMAWAZFEMFU-MRXNPFEDSA-N 1 0 344.480 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(C(C)C)CC3)C2)cc1C ZINC000969873311 1336255818 /nfs/dbraw/zinc/25/58/18/1336255818.db2.gz ZZNSEXXAJGXGEV-QGZVFWFLSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C2)cc1C ZINC001018675400 1339698598 /nfs/dbraw/zinc/69/85/98/1339698598.db2.gz KEYATNIBIMUPKX-INIZCTEOSA-N 1 0 344.499 3.376 20 10 EGCDRO CC(C)[NH2+][C@H](C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001029175018 1340948999 /nfs/dbraw/zinc/94/89/99/1340948999.db2.gz PHHVBWNCUAXEEH-CYBMUJFWSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)c3cc[nH]c3)CC2)cc1C ZINC001034655352 1342673541 /nfs/dbraw/zinc/67/35/41/1342673541.db2.gz IXWYDAKTKITISU-IYARVYRRSA-N 1 0 341.455 3.163 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccco3)C[C@H]2C)cc1C ZINC001035897231 1343256943 /nfs/dbraw/zinc/25/69/43/1343256943.db2.gz HALMDMCMVICTOW-WBVHZDCISA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CC2CC2)cc1C ZINC001036924258 1343867539 /nfs/dbraw/zinc/86/75/39/1343867539.db2.gz RADWBXRQEMMQIW-ZWKOTPCHSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)c2ccco2)cc1C ZINC001036927900 1343870561 /nfs/dbraw/zinc/87/05/61/1343870561.db2.gz SIVJYODQGICEDO-IAGOWNOFSA-N 1 0 342.439 3.285 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C=C2CCC2)cc1C ZINC001036982194 1343909472 /nfs/dbraw/zinc/90/94/72/1343909472.db2.gz JFYPYVQJFYPTDT-RTBURBONSA-N 1 0 342.483 3.488 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)C2CC2)cc1C ZINC001037137562 1343987642 /nfs/dbraw/zinc/98/76/42/1343987642.db2.gz HFWXSBXLHFZMBY-ROUUACIJSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C/C3CC3)[C@@H](C)C2)cc1C ZINC001044531781 1346359494 /nfs/dbraw/zinc/35/94/94/1346359494.db2.gz OXLXGBWMORYYGE-NWLOJRJCSA-N 1 0 342.483 3.439 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccccc2)cc1C ZINC001044903139 1346458530 /nfs/dbraw/zinc/45/85/30/1346458530.db2.gz ADKBGISKXCZVTG-IBGZPJMESA-N 1 0 338.451 3.398 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2C)cc1C ZINC001048093264 1347463838 /nfs/dbraw/zinc/46/38/38/1347463838.db2.gz OSYYCWVHWPBGDV-LPHOPBHVSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3CC=CC3)C[C@@H]2C)cc1C ZINC001048191581 1347489036 /nfs/dbraw/zinc/48/90/36/1347489036.db2.gz FPVHVJCFYSJSEH-LPHOPBHVSA-N 1 0 342.483 3.154 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccccc3)C[C@H]2C)cc1C ZINC001054341834 1349321383 /nfs/dbraw/zinc/32/13/83/1349321383.db2.gz SKQPJBOGKINQCB-APWZRJJASA-N 1 0 338.451 3.254 20 10 EGCDRO CC[N@H+](CCC(F)(F)F)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323305515 1387330580 /nfs/dbraw/zinc/33/05/80/1387330580.db2.gz XQONZNCMUDWEOV-UHFFFAOYSA-N 1 0 347.400 3.352 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001324654995 1387718912 /nfs/dbraw/zinc/71/89/12/1387718912.db2.gz VFKZTHLTUIKUOE-UHFFFAOYSA-N 1 0 349.438 3.044 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC001324848832 1387791630 /nfs/dbraw/zinc/79/16/30/1387791630.db2.gz TXNNCAGOGHZAPY-WBTNSWJXSA-N 1 0 341.455 3.492 20 10 EGCDRO CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194374475 1368247780 /nfs/dbraw/zinc/24/77/80/1368247780.db2.gz HIKLULSEKIDHPH-MRXNPFEDSA-N 1 0 345.447 3.186 20 10 EGCDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)C1 ZINC001195279827 1368413997 /nfs/dbraw/zinc/41/39/97/1368413997.db2.gz WDCUTPASJHVFFX-OXBTWTFQSA-N 1 0 338.411 3.489 20 10 EGCDRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197155221 1368757413 /nfs/dbraw/zinc/75/74/13/1368757413.db2.gz WFBQUPNWNBAZLA-VHEBQXMUSA-N 1 0 346.456 3.284 20 10 EGCDRO Oc1ccccc1C[NH+]1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001203546967 1370164737 /nfs/dbraw/zinc/16/47/37/1370164737.db2.gz DLDHMPKOIYQECE-UHFFFAOYSA-N 1 0 337.345 3.128 20 10 EGCDRO COc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3OC)C2)c1O ZINC001203595974 1370182784 /nfs/dbraw/zinc/18/27/84/1370182784.db2.gz VWBYLPXEEALUEK-HNNXBMFYSA-N 1 0 329.396 3.063 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c1O ZINC001203603216 1370184952 /nfs/dbraw/zinc/18/49/52/1370184952.db2.gz KUZIZSLTTMDVMH-HNNXBMFYSA-N 1 0 333.350 3.070 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c1O ZINC001203609602 1370186672 /nfs/dbraw/zinc/18/66/72/1370186672.db2.gz ZKDJROZRUDYTRO-KRWDZBQOSA-N 1 0 328.412 3.229 20 10 EGCDRO CCOc1cccc(CN2CCC([NH+]3CCC(F)CC3)CC2)c1O ZINC001203613960 1370187819 /nfs/dbraw/zinc/18/78/19/1370187819.db2.gz LBGMQFBYUGLPRO-UHFFFAOYSA-N 1 0 336.451 3.189 20 10 EGCDRO COc1ccc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)c(O)c1 ZINC001203634401 1370195048 /nfs/dbraw/zinc/19/50/48/1370195048.db2.gz DLOYZGXXHMBXGQ-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO CCOC(=O)N1CCC([N@H+](C)Cc2cc(Cl)ccc2O)CC1 ZINC001203664210 1370207366 /nfs/dbraw/zinc/20/73/66/1370207366.db2.gz RARHLVSBCXIJDY-UHFFFAOYSA-N 1 0 326.824 3.098 20 10 EGCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC001203665416 1370208014 /nfs/dbraw/zinc/20/80/14/1370208014.db2.gz JGKXYMJOQKLBSR-OAHLLOKOSA-N 1 0 334.803 3.103 20 10 EGCDRO O=C1OC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)c2cnccc21 ZINC001203664645 1370208326 /nfs/dbraw/zinc/20/83/26/1370208326.db2.gz OWSOBZOOFSTZMH-UHFFFAOYSA-N 1 0 344.798 3.102 20 10 EGCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC001203665245 1370208634 /nfs/dbraw/zinc/20/86/34/1370208634.db2.gz DPQOSELITVIGTL-INIZCTEOSA-N 1 0 348.830 3.493 20 10 EGCDRO Cc1cnc(O[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC001203665648 1370209072 /nfs/dbraw/zinc/20/90/72/1370209072.db2.gz RGIODKDYAYIUQI-HNNXBMFYSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1ccc(O)c(C[N@H+](CCNC(=O)OC(C)(C)C)C(C)C)c1 ZINC001203680069 1370215211 /nfs/dbraw/zinc/21/52/11/1370215211.db2.gz BUBRWBGXZRVGGN-UHFFFAOYSA-N 1 0 338.448 3.136 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c1 ZINC001203680618 1370216387 /nfs/dbraw/zinc/21/63/87/1370216387.db2.gz AMBKQZRGQHFUAT-KRWDZBQOSA-N 1 0 326.396 3.004 20 10 EGCDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203880000 1370297032 /nfs/dbraw/zinc/29/70/32/1370297032.db2.gz IIMRYSBZRXUXSB-CQSZACIVSA-N 1 0 329.396 3.052 20 10 EGCDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)Cc2ccc(O)c(O)c2)CC1 ZINC001203884653 1370298929 /nfs/dbraw/zinc/29/89/29/1370298929.db2.gz WUEFAIVAJSNBDH-UHFFFAOYSA-N 1 0 344.430 3.333 20 10 EGCDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203884818 1370298964 /nfs/dbraw/zinc/29/89/64/1370298964.db2.gz ZOBYGMUDGGWXOO-QGZVFWFLSA-N 1 0 341.407 3.053 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC001203930570 1370317617 /nfs/dbraw/zinc/31/76/17/1370317617.db2.gz ZHYDIHGMLSTYRZ-UHFFFAOYSA-N 1 0 327.447 3.210 20 10 EGCDRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203929389 1370318093 /nfs/dbraw/zinc/31/80/93/1370318093.db2.gz BQTDAMWBEWCSMJ-UHFFFAOYSA-N 1 0 345.487 3.197 20 10 EGCDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(O)cc1O ZINC001204279965 1370429728 /nfs/dbraw/zinc/42/97/28/1370429728.db2.gz GSZDBYPSGDPGEF-AWEZNQCLSA-N 1 0 329.396 3.052 20 10 EGCDRO CCOC(=O)C1(F)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204326423 1370444834 /nfs/dbraw/zinc/44/48/34/1370444834.db2.gz HJZUTCVFJDHGPT-UHFFFAOYSA-N 1 0 334.435 3.154 20 10 EGCDRO COc1cc(C[NH+]2CCC(OCc3ccccc3)CC2)cc(O)c1O ZINC001204343558 1370448782 /nfs/dbraw/zinc/44/87/82/1370448782.db2.gz SZFCVILYYSRWPJ-UHFFFAOYSA-N 1 0 343.423 3.288 20 10 EGCDRO COc1ccccc1C1CC[NH+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204346307 1370449665 /nfs/dbraw/zinc/44/96/65/1370449665.db2.gz MUEUDOCAYOLQSP-UHFFFAOYSA-N 1 0 343.423 3.495 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205912849 1370908551 /nfs/dbraw/zinc/90/85/51/1370908551.db2.gz DBIWQEHHVBAZAR-RYUDHWBXSA-N 1 0 327.266 3.022 20 10 EGCDRO C[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1[NH3+] ZINC001206043388 1370947230 /nfs/dbraw/zinc/94/72/30/1370947230.db2.gz BJBCJXLQSSCSNF-DNVCBOLYSA-N 1 0 326.440 3.140 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC001118431321 1371181024 /nfs/dbraw/zinc/18/10/24/1371181024.db2.gz RDXVXWCIAZWWQA-HYVNUMGLSA-N 1 0 330.472 3.092 20 10 EGCDRO COc1cc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c(O)c(C(C)(C)C)c1 ZINC001118564699 1371199616 /nfs/dbraw/zinc/19/96/16/1371199616.db2.gz FHRIMRPNMRNPAL-UHFFFAOYSA-N 1 0 345.443 3.101 20 10 EGCDRO COc1ccc(N2CC[NH+](CCOCc3ccccc3)CC2)c(C)c1 ZINC001207236910 1371338527 /nfs/dbraw/zinc/33/85/27/1371338527.db2.gz CAXPSKSMZMKBOH-UHFFFAOYSA-N 1 0 340.467 3.342 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CCc3ccccc3OC)CC2)cc1 ZINC001207461974 1371403270 /nfs/dbraw/zinc/40/32/70/1371403270.db2.gz XBHJUTJINLWFMS-UHFFFAOYSA-N 1 0 340.467 3.459 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CCN(c2cccnn2)CC1 ZINC001326340350 1388159693 /nfs/dbraw/zinc/15/96/93/1388159693.db2.gz AHVNCTRLIQYCJH-HOCLYGCPSA-N 1 0 338.455 3.298 20 10 EGCDRO C/C=C(/C)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(OC)c(C)c1)C2 ZINC001120925757 1371811833 /nfs/dbraw/zinc/81/18/33/1371811833.db2.gz IYWFIBAFLZRTCM-RZNTYIFUSA-N 1 0 342.483 3.487 20 10 EGCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(-n3c(C)ccc3C)cc1)C2 ZINC001209516527 1372126862 /nfs/dbraw/zinc/12/68/62/1372126862.db2.gz AMUKXIMGEXMSEO-TZIWHRDSSA-N 1 0 340.467 3.189 20 10 EGCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209517467 1372127267 /nfs/dbraw/zinc/12/72/67/1372127267.db2.gz HHGIRMDIADRCSI-SFHVURJKSA-N 1 0 326.440 3.479 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H](CC[NH3+])C2)c(C)n1-c1ccccc1C ZINC001122294792 1372223273 /nfs/dbraw/zinc/22/32/73/1372223273.db2.gz XVOCXSBSVKDIBM-KRWDZBQOSA-N 1 0 325.456 3.213 20 10 EGCDRO Cc1cc(N)[nH+]cc1Nc1cccc2c1C(=O)c1cccc(N)c1C2=O ZINC001209970237 1372244035 /nfs/dbraw/zinc/24/40/35/1372244035.db2.gz YJXTYKNEVXSNLO-UHFFFAOYSA-N 1 0 344.374 3.073 20 10 EGCDRO [NH3+]Cc1ccc2c(n1)N(C(=O)c1ccccc1-c1cccnc1)CCC2 ZINC001188043492 1388226730 /nfs/dbraw/zinc/22/67/30/1388226730.db2.gz VMTFANDCSYBRKS-UHFFFAOYSA-N 1 0 344.418 3.195 20 10 EGCDRO O=C1C=CC=CC1=NNc1ccccc1O[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001218071304 1373554744 /nfs/dbraw/zinc/55/47/44/1373554744.db2.gz IXPWGHUJBDBFDX-MHWUSFCKSA-N 1 0 338.411 3.233 20 10 EGCDRO Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(N)cc1)CC21CC[NH2+]CC1 ZINC001219757692 1373731001 /nfs/dbraw/zinc/73/10/01/1373731001.db2.gz SDIBRRLXJQSBPO-HXUWFJFHSA-N 1 0 349.478 3.002 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC001326971547 1388359171 /nfs/dbraw/zinc/35/91/71/1388359171.db2.gz XVUQKFDXMKHWHB-CLCXKQKWSA-N 1 0 330.472 3.486 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2ccc[nH]2)cc1C ZINC001133662780 1376144647 /nfs/dbraw/zinc/14/46/47/1376144647.db2.gz UOPOFOGKSGUFMT-HUUCEWRRSA-N 1 0 329.444 3.018 20 10 EGCDRO COc1ccc(Br)c(C[NH+]2CCC(C)(OC)CC2)c1O ZINC001231548688 1376261504 /nfs/dbraw/zinc/26/15/04/1376261504.db2.gz XAVXTCINESIAOQ-UHFFFAOYSA-N 1 0 344.249 3.164 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1O ZINC001231592748 1376273331 /nfs/dbraw/zinc/27/33/31/1376273331.db2.gz UJLFMAZBNAKFAO-UHFFFAOYSA-N 1 0 332.444 3.190 20 10 EGCDRO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c(O)cc1O ZINC001231635492 1376287487 /nfs/dbraw/zinc/28/74/87/1376287487.db2.gz DJTZGQGAHKZHOA-ALKREAHSSA-N 1 0 347.455 3.134 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c(O)cc1O ZINC001231636622 1376288464 /nfs/dbraw/zinc/28/84/64/1376288464.db2.gz YKKWQBGGTBAXOD-UHFFFAOYSA-N 1 0 342.439 3.045 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2CC=CC2)cc1C ZINC001133975160 1376292755 /nfs/dbraw/zinc/29/27/55/1376292755.db2.gz VKHGDEFQLORVDU-HOTGVXAUSA-N 1 0 330.472 3.343 20 10 EGCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231866595 1376329160 /nfs/dbraw/zinc/32/91/60/1376329160.db2.gz GJKJESVTEZXPTP-ZWKOTPCHSA-N 1 0 339.863 3.372 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)cc1Cl ZINC001231868230 1376330680 /nfs/dbraw/zinc/33/06/80/1376330680.db2.gz SLZJXUZAGIAXHR-IRXDYDNUSA-N 1 0 348.874 3.329 20 10 EGCDRO Cc1cc(OC2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)ncn1 ZINC001231871245 1376334725 /nfs/dbraw/zinc/33/47/25/1376334725.db2.gz HCMQIPMTYIULEM-UHFFFAOYSA-N 1 0 347.846 3.496 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3cc(C)nc(C)c3)CC2)cc1 ZINC001232005299 1376380695 /nfs/dbraw/zinc/38/06/95/1376380695.db2.gz UKMSTKZTMGJRNF-UHFFFAOYSA-N 1 0 325.456 3.419 20 10 EGCDRO Cc1cccc(N2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)CC2)n1 ZINC001232262412 1376425497 /nfs/dbraw/zinc/42/54/97/1376425497.db2.gz GMEUJPPDFZKWHB-UHFFFAOYSA-N 1 0 347.846 3.167 20 10 EGCDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327211986 1388444664 /nfs/dbraw/zinc/44/46/64/1388444664.db2.gz ABNOZINBRKQIOP-HZPDHXFCSA-N 1 0 333.495 3.492 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC001232834742 1376521773 /nfs/dbraw/zinc/52/17/73/1376521773.db2.gz LGPZMQQWGSMDOG-HXUWFJFHSA-N 1 0 339.483 3.165 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2ccns2)cc1C ZINC001134488922 1376565966 /nfs/dbraw/zinc/56/59/66/1376565966.db2.gz KFSQPHXENBHBIA-KGLIPLIRSA-N 1 0 347.484 3.147 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC001233283299 1376603669 /nfs/dbraw/zinc/60/36/69/1376603669.db2.gz AWHMTFJMMHJFMN-UHFFFAOYSA-N 1 0 325.456 3.407 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c1 ZINC001233287473 1376604971 /nfs/dbraw/zinc/60/49/71/1376604971.db2.gz RIZKNTAKNWORKL-INIZCTEOSA-N 1 0 327.428 3.133 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c1O ZINC001233291307 1376606440 /nfs/dbraw/zinc/60/64/40/1376606440.db2.gz VQPQGXYJLRAUGE-OAHLLOKOSA-N 1 0 333.815 3.490 20 10 EGCDRO OCC[C@H]1CC12CC[NH+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233451920 1376649660 /nfs/dbraw/zinc/64/96/60/1376649660.db2.gz DNXANAXTHBOLKN-AWEZNQCLSA-N 1 0 329.362 3.396 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cccc1OC(F)(F)F ZINC001233736041 1376706253 /nfs/dbraw/zinc/70/62/53/1376706253.db2.gz BSOAQPJQQMHABU-RISCZKNCSA-N 1 0 331.334 3.292 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cccc1OC(F)(F)F ZINC001233768305 1376712387 /nfs/dbraw/zinc/71/23/87/1376712387.db2.gz OXAUKGFTGXITAK-HNNXBMFYSA-N 1 0 331.334 3.293 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cc(F)c[nH]2)cc1C ZINC001135033151 1376859567 /nfs/dbraw/zinc/85/95/67/1376859567.db2.gz LNZOUOCNSZCQGW-UONOGXRCSA-N 1 0 347.434 3.158 20 10 EGCDRO CCOC(=O)C1(F)CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236842838 1376966030 /nfs/dbraw/zinc/96/60/30/1376966030.db2.gz ZCTSOTJAHXADRU-UHFFFAOYSA-N 1 0 331.387 3.413 20 10 EGCDRO Oc1cc(Cl)c(Cl)cc1CN1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001236979460 1376968432 /nfs/dbraw/zinc/96/84/32/1376968432.db2.gz DIGCMDXPNMFZOQ-LLVKDONJSA-N 1 0 329.149 3.035 20 10 EGCDRO COCC[N@H+](Cc1c(O)cc(OC)cc1Br)C(C)C ZINC001237058632 1376973102 /nfs/dbraw/zinc/97/31/02/1376973102.db2.gz HMBUQEALINOZSJ-UHFFFAOYSA-N 1 0 332.238 3.020 20 10 EGCDRO COc1cc(O)c(CN2C[C@@H](C)C[C@H]2CF)c(Br)c1 ZINC001237058952 1376973220 /nfs/dbraw/zinc/97/32/20/1376973220.db2.gz CVTLAKHUNYHHKH-UWVGGRQHSA-N 1 0 332.213 3.343 20 10 EGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001237057771 1376974134 /nfs/dbraw/zinc/97/41/34/1376974134.db2.gz DTMIEDIWPSERGR-HNNXBMFYSA-N 1 0 331.334 3.088 20 10 EGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001237061047 1376974236 /nfs/dbraw/zinc/97/42/36/1376974236.db2.gz ZZYAZLKCYBDCOD-HNNXBMFYSA-N 1 0 331.334 3.088 20 10 EGCDRO COC(=O)Cc1ccc(C[N@H+](C)CCc2ccc(Cl)cc2)c(O)c1 ZINC001249207922 1377072415 /nfs/dbraw/zinc/07/24/15/1377072415.db2.gz MJMBMDKPAQITCR-UHFFFAOYSA-N 1 0 347.842 3.436 20 10 EGCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c([O-])cccc2F)N1c1ccccc1 ZINC001137834715 1377625567 /nfs/dbraw/zinc/62/55/67/1377625567.db2.gz QMEUJDYSMCHOHU-QZTJIDSGSA-N 1 0 340.398 3.301 20 10 EGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC001138219543 1377690858 /nfs/dbraw/zinc/69/08/58/1377690858.db2.gz GGHWRSYGNNSPND-QFBILLFUSA-N 1 0 330.472 3.450 20 10 EGCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCS1 ZINC001138222280 1377690887 /nfs/dbraw/zinc/69/08/87/1377690887.db2.gz PQHGUWYEDBUGRU-GOSISDBHSA-N 1 0 348.512 3.157 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC12CC2 ZINC001138222450 1377691149 /nfs/dbraw/zinc/69/11/49/1377691149.db2.gz YKAMHGAWAVOYDH-SFHVURJKSA-N 1 0 328.456 3.062 20 10 EGCDRO Cc1c(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c2ccccc2n1C ZINC001138255422 1377693966 /nfs/dbraw/zinc/69/39/66/1377693966.db2.gz GMNVHRAKPWUCSL-GOSISDBHSA-N 1 0 339.483 3.177 20 10 EGCDRO Cc1c(C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c2ccccc2n1C ZINC001138259905 1377694665 /nfs/dbraw/zinc/69/46/65/1377694665.db2.gz QQEGDEOCXWSABO-MRXNPFEDSA-N 1 0 327.472 3.223 20 10 EGCDRO Cc1c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c2ccccc2n1C ZINC001138256784 1377694946 /nfs/dbraw/zinc/69/49/46/1377694946.db2.gz KPLYWRZNCYXGPJ-HXUWFJFHSA-N 1 0 339.483 3.464 20 10 EGCDRO C[N@H+](Cc1cccc(O)c1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337862 1377705282 /nfs/dbraw/zinc/70/52/82/1377705282.db2.gz FAUCRUIVNNEGGM-UHFFFAOYSA-N 1 0 338.451 3.429 20 10 EGCDRO Oc1c(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc2c3c1CCCN3CCC2 ZINC001138339465 1377705407 /nfs/dbraw/zinc/70/54/07/1377705407.db2.gz FZMGSZBWXIXYLC-OAHLLOKOSA-N 1 0 348.487 3.120 20 10 EGCDRO Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCCN4C)C2)n1 ZINC001138358950 1377709471 /nfs/dbraw/zinc/70/94/71/1377709471.db2.gz FDSKCHYNKRPJPQ-IBGZPJMESA-N 1 0 337.467 3.426 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC)C2)c(OC)c1 ZINC001138390401 1377714316 /nfs/dbraw/zinc/71/43/16/1377714316.db2.gz VNKASLMXCBPHPE-MRXNPFEDSA-N 1 0 348.487 3.317 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(Br)c1)CC1CC1 ZINC001138675873 1377766467 /nfs/dbraw/zinc/76/64/67/1377766467.db2.gz PHHNSSOVIRSCHB-UHFFFAOYSA-N 1 0 339.277 3.128 20 10 EGCDRO COc1cc(CN2CCC[C@@H](F)C(F)(F)C2)cc(C[NH+](C)C)c1O ZINC001139253525 1377858652 /nfs/dbraw/zinc/85/86/52/1377858652.db2.gz XCBFWSMCBFJABM-OAHLLOKOSA-N 1 0 346.393 3.032 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN3CCCC(F)(F)[C@@H](F)C3)cc2)CC1 ZINC001139407950 1377880742 /nfs/dbraw/zinc/88/07/42/1377880742.db2.gz HRRKTHJQGDOYDU-KRWDZBQOSA-N 1 0 341.421 3.008 20 10 EGCDRO CCc1nc(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)no1 ZINC001139673510 1377931549 /nfs/dbraw/zinc/93/15/49/1377931549.db2.gz IXGAUWWOSQVLML-UHFFFAOYSA-N 1 0 328.460 3.386 20 10 EGCDRO Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139674296 1377931570 /nfs/dbraw/zinc/93/15/70/1377931570.db2.gz SSNJLZQBIGAVNY-SFHVURJKSA-N 1 0 325.456 3.418 20 10 EGCDRO O=C(NC1CC[NH+](Cc2cc(F)ccc2O)CC1)c1cccc(F)c1 ZINC001140060103 1377998473 /nfs/dbraw/zinc/99/84/73/1377998473.db2.gz KOGXECLNLLIJJS-UHFFFAOYSA-N 1 0 346.377 3.065 20 10 EGCDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140059943 1377998492 /nfs/dbraw/zinc/99/84/92/1377998492.db2.gz BTLGYRIQNONRIN-OAHLLOKOSA-N 1 0 335.419 3.477 20 10 EGCDRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4cc(F)ccc4O)C[C@@H]3C2)cc1 ZINC001140062886 1377999255 /nfs/dbraw/zinc/99/92/55/1377999255.db2.gz HNJXYVYOXJZUHF-OALUTQOASA-N 1 0 340.442 3.404 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001140103713 1378008605 /nfs/dbraw/zinc/00/86/05/1378008605.db2.gz SNBNHNOGGNKOGQ-CYBMUJFWSA-N 1 0 348.187 3.155 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC001140178802 1378026159 /nfs/dbraw/zinc/02/61/59/1378026159.db2.gz YAMOPWDLFHHENQ-HNNXBMFYSA-N 1 0 334.460 3.450 20 10 EGCDRO COc1ccc(CC[N@@H+](Cc2c(C)ccc(C)c2O)C[C@@H](C)O)cc1 ZINC001140178717 1378026424 /nfs/dbraw/zinc/02/64/24/1378026424.db2.gz VHRZQHAKFVQTAG-QGZVFWFLSA-N 1 0 343.467 3.443 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1O ZINC001140179090 1378026562 /nfs/dbraw/zinc/02/65/62/1378026562.db2.gz GRLUMIJCJPFAJE-UHFFFAOYSA-N 1 0 328.431 3.466 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC001140182734 1378026997 /nfs/dbraw/zinc/02/69/97/1378026997.db2.gz YNBZBWGAOCDFTQ-UHFFFAOYSA-N 1 0 331.847 3.380 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4ccncc4)C3)cc2)CC1 ZINC001140286778 1378041064 /nfs/dbraw/zinc/04/10/64/1378041064.db2.gz OZNJXZIEAHUEFP-LJQANCHMSA-N 1 0 337.467 3.032 20 10 EGCDRO C[N@H+](CCc1cccc(F)c1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287081 1378041174 /nfs/dbraw/zinc/04/11/74/1378041174.db2.gz IDYTVUDCBYYQLF-UHFFFAOYSA-N 1 0 342.458 3.461 20 10 EGCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140339281 1378048828 /nfs/dbraw/zinc/04/88/28/1378048828.db2.gz HMFFAQXOWZTRMV-SUMWQHHRSA-N 1 0 325.836 3.206 20 10 EGCDRO O=C1[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]2CN1c1ccccc1 ZINC001140340382 1378048944 /nfs/dbraw/zinc/04/89/44/1378048944.db2.gz VHLUZRXXLGXKSS-ZFWWWQNUSA-N 1 0 342.826 3.140 20 10 EGCDRO Cc1cncnc1OC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342623 1378049950 /nfs/dbraw/zinc/04/99/50/1378049950.db2.gz RAZXBKRNOWLYAD-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1C ZINC001140342260 1378050400 /nfs/dbraw/zinc/05/04/00/1378050400.db2.gz AISNKSCXWSPEFL-QWHCGFSZSA-N 1 0 325.836 3.457 20 10 EGCDRO O=C1OC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)c2cccnc21 ZINC001140465421 1378068213 /nfs/dbraw/zinc/06/82/13/1378068213.db2.gz MWKQIESUEUOAOT-UHFFFAOYSA-N 1 0 344.798 3.102 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c1 ZINC001140619627 1378099484 /nfs/dbraw/zinc/09/94/84/1378099484.db2.gz JBLZTVHZIUGJLE-HZPDHXFCSA-N 1 0 332.444 3.142 20 10 EGCDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc(C)ccc1O)C2 ZINC001140623653 1378100345 /nfs/dbraw/zinc/10/03/45/1378100345.db2.gz OACDLXPXWFRENM-OAHLLOKOSA-N 1 0 327.424 3.490 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCC1(F)F ZINC001140660453 1378108310 /nfs/dbraw/zinc/10/83/10/1378108310.db2.gz SAIMWYUGSHRWOR-ZDUSSCGKSA-N 1 0 328.378 3.139 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001140661531 1378109443 /nfs/dbraw/zinc/10/94/43/1378109443.db2.gz IGLHBBXWFINXMQ-KRWDZBQOSA-N 1 0 341.430 3.047 20 10 EGCDRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(O)c(C)c2O)o1 ZINC001140745175 1378128545 /nfs/dbraw/zinc/12/85/45/1378128545.db2.gz YXTSIBWLGUKAAT-MSOLQXFVSA-N 1 0 342.439 3.156 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(O)c1 ZINC001140850836 1378158420 /nfs/dbraw/zinc/15/84/20/1378158420.db2.gz WIGAJRWKUGTRRJ-UHFFFAOYSA-N 1 0 346.393 3.128 20 10 EGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855692 1378159595 /nfs/dbraw/zinc/15/95/95/1378159595.db2.gz AJACGYZGMCGJIP-QGZVFWFLSA-N 1 0 348.487 3.404 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c(O)c1 ZINC001276365731 1378173639 /nfs/dbraw/zinc/17/36/39/1378173639.db2.gz UDOOWIRAODYJCZ-OALUTQOASA-N 1 0 325.456 3.186 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)c(O)c1 ZINC001140957478 1378193523 /nfs/dbraw/zinc/19/35/23/1378193523.db2.gz AIVPFUFKKRBOGC-UHFFFAOYSA-N 1 0 330.472 3.315 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c(OC)c1 ZINC001141031572 1378214150 /nfs/dbraw/zinc/21/41/50/1378214150.db2.gz IBYKMNCHVAUSRR-AWEZNQCLSA-N 1 0 343.423 3.408 20 10 EGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(O)cc(OC)cc1OC)C2 ZINC001141034982 1378214872 /nfs/dbraw/zinc/21/48/72/1378214872.db2.gz YBPWGJPLWAHUJK-KUHUBIRLSA-N 1 0 335.444 3.048 20 10 EGCDRO CCN1CCC([N@H+](C)Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076416 1378232378 /nfs/dbraw/zinc/23/23/78/1378232378.db2.gz QZYODQDDTTUBQA-UHFFFAOYSA-N 1 0 327.516 3.302 20 10 EGCDRO c1c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141075549 1378232414 /nfs/dbraw/zinc/23/24/14/1378232414.db2.gz UFZYOEGUSAIQQG-YLJYHZDGSA-N 1 0 326.484 3.386 20 10 EGCDRO Cc1ccccc1N1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141141126 1378247436 /nfs/dbraw/zinc/24/74/36/1378247436.db2.gz UJSLUHBKEALGCT-UHFFFAOYSA-N 1 0 337.467 3.146 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1cc(O)ccc1O ZINC001141162804 1378256670 /nfs/dbraw/zinc/25/66/70/1378256670.db2.gz FOBLYXUHJIDJPI-HZPDHXFCSA-N 1 0 326.440 3.193 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4cc[nH]c4n3)CC2)c(C)c1 ZINC001144187406 1378694938 /nfs/dbraw/zinc/69/49/38/1378694938.db2.gz GZOKDQWHQZBPGE-UHFFFAOYSA-N 1 0 336.439 3.202 20 10 EGCDRO C[N@@H+](Cc1cc(Br)c(F)cc1[O-])C[C@@H]1CCCCO1 ZINC001144299599 1378713313 /nfs/dbraw/zinc/71/33/13/1378713313.db2.gz BRADGHUIQVLKEG-NSHDSACASA-N 1 0 332.213 3.295 20 10 EGCDRO CCOC(=O)c1[nH]ccc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001144334102 1378717621 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CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(N)cc2)cc1 ZINC001336724167 1389147639 /nfs/dbraw/zinc/14/76/39/1389147639.db2.gz ZEVXHHIKJOKFNM-UHFFFAOYSA-N 1 0 340.471 3.110 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CCCN(Cc2ccc(C)cc2)CC1 ZINC001336944058 1389216749 /nfs/dbraw/zinc/21/67/49/1389216749.db2.gz VKAPXEAQOIYXFW-UHFFFAOYSA-N 1 0 340.467 3.417 20 10 EGCDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001337042457 1389243063 /nfs/dbraw/zinc/24/30/63/1389243063.db2.gz NLBHXNFUCNBJDX-HZPDHXFCSA-N 1 0 338.492 3.378 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCNC(=O)c1ccccc1F ZINC001337795586 1389445784 /nfs/dbraw/zinc/44/57/84/1389445784.db2.gz HRBWUOXYYKIUKF-CJNGLKHVSA-N 1 0 342.414 3.408 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC(=O)NCCc1ccccc1 ZINC001337798311 1389446753 /nfs/dbraw/zinc/44/67/53/1389446753.db2.gz GDKMIPYABXZNDN-RDJZCZTQSA-N 1 0 338.451 3.197 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)c2ccc(CC[NH3+])cc2)cc1 ZINC001340152218 1390237239 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Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000092038391 454506748 /nfs/dbraw/zinc/50/67/48/454506748.db2.gz KWHXOTBEJSOJGT-QUCCMNQESA-N 1 0 327.424 3.025 20 10 EGCDRO O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(N2CCCC2)nc1 ZINC000123452629 454638843 /nfs/dbraw/zinc/63/88/43/454638843.db2.gz JIECGPQJOYMCRP-NTCAYCPXSA-N 1 0 342.468 3.138 20 10 EGCDRO COc1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161822581 454726810 /nfs/dbraw/zinc/72/68/10/454726810.db2.gz UOVGYEOFGAFLLT-UHFFFAOYSA-N 1 0 326.440 3.164 20 10 EGCDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093889864 454744190 /nfs/dbraw/zinc/74/41/90/454744190.db2.gz VRGUJPIYPHATAL-MCFWBGNESA-N 1 0 347.436 3.051 20 10 EGCDRO CN(C)c1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000125303404 454812657 /nfs/dbraw/zinc/81/26/57/454812657.db2.gz PEQCBSWEENPKPE-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177172397 454832463 /nfs/dbraw/zinc/83/24/63/454832463.db2.gz XUPIASMJPMUBNE-CYBMUJFWSA-N 1 0 325.836 3.497 20 10 EGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCSC1 ZINC000163393995 454844814 /nfs/dbraw/zinc/84/48/14/454844814.db2.gz YKPANOSZFGXBMK-ZDUSSCGKSA-N 1 0 346.418 3.137 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000112561335 454889772 /nfs/dbraw/zinc/88/97/72/454889772.db2.gz PULGZFKRRIXLEX-IBGZPJMESA-N 1 0 341.499 3.025 20 10 EGCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000126395196 454890932 /nfs/dbraw/zinc/89/09/32/454890932.db2.gz OTMOXGRJLNWRAM-RDJZCZTQSA-N 1 0 347.478 3.478 20 10 EGCDRO COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185008972 455485665 /nfs/dbraw/zinc/48/56/65/455485665.db2.gz GTZBIYSHBMBJOW-LLVKDONJSA-N 1 0 335.275 3.318 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000170638589 454946061 /nfs/dbraw/zinc/94/60/61/454946061.db2.gz ZSHKBVSNQUQYFF-OAHLLOKOSA-N 1 0 334.460 3.356 20 10 EGCDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178368647 454952563 /nfs/dbraw/zinc/95/25/63/454952563.db2.gz KDONGSMRQNRMQI-DNVCBOLYSA-N 1 0 338.467 3.254 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000178580501 454963084 /nfs/dbraw/zinc/96/30/84/454963084.db2.gz PMPKCSNYHBJHPG-KRWDZBQOSA-N 1 0 325.456 3.132 20 10 EGCDRO C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000178710678 454968025 /nfs/dbraw/zinc/96/80/25/454968025.db2.gz AITKHVXJWIWNQB-OXJNMPFZSA-N 1 0 337.467 3.239 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)Cc1nc2ccccc2c(=O)n1C ZINC000170779284 454976243 /nfs/dbraw/zinc/97/62/43/454976243.db2.gz XQAOANASMVQFFH-UHFFFAOYSA-N 1 0 337.423 3.051 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cnn(C(C)C)c3)CC2)cc1 ZINC000179550398 455057331 /nfs/dbraw/zinc/05/73/31/455057331.db2.gz INYSYTDTBNJYEK-UHFFFAOYSA-N 1 0 328.460 3.185 20 10 EGCDRO CC[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000155917141 455062534 /nfs/dbraw/zinc/06/25/34/455062534.db2.gz BQDPYHVLRJZBNO-GFCCVEGCSA-N 1 0 340.349 3.354 20 10 EGCDRO Cc1cccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1O ZINC000179663832 455065248 /nfs/dbraw/zinc/06/52/48/455065248.db2.gz YQWGSZXOHHCCLP-UHFFFAOYSA-N 1 0 340.452 3.028 20 10 EGCDRO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1O ZINC000179745498 455072445 /nfs/dbraw/zinc/07/24/45/455072445.db2.gz BYDWROMLELOIAI-UHFFFAOYSA-N 1 0 340.423 3.252 20 10 EGCDRO C[N@H+](Cc1cc(F)ccc1O)C1CCN(CCc2ccccn2)CC1 ZINC000180009532 455115586 /nfs/dbraw/zinc/11/55/86/455115586.db2.gz MAALNLCOYQDQPK-UHFFFAOYSA-N 1 0 343.446 3.065 20 10 EGCDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCc1ccc(N)cc1 ZINC000152544419 455134286 /nfs/dbraw/zinc/13/42/86/455134286.db2.gz BLULZHCAPCBAMD-UHFFFAOYSA-N 1 0 337.423 3.049 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1O ZINC000156736277 455147385 /nfs/dbraw/zinc/14/73/85/455147385.db2.gz GTTBCYCLGRTVPJ-SFHVURJKSA-N 1 0 335.831 3.442 20 10 EGCDRO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000180214991 455148906 /nfs/dbraw/zinc/14/89/06/455148906.db2.gz PIHQSRSXSLPYOX-UHFFFAOYSA-N 1 0 342.370 3.046 20 10 EGCDRO CN(c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000172713615 455176481 /nfs/dbraw/zinc/17/64/81/455176481.db2.gz PTEOZAQZNMOFNI-UHFFFAOYSA-N 1 0 343.515 3.414 20 10 EGCDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000180481163 455178842 /nfs/dbraw/zinc/17/88/42/455178842.db2.gz RMCPEJRQHRPVNN-KRWDZBQOSA-N 1 0 345.439 3.183 20 10 EGCDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000237678584 455206509 /nfs/dbraw/zinc/20/65/09/455206509.db2.gz SHRBHVPEPCAKGI-UHFFFAOYSA-N 1 0 331.847 3.311 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000237694897 455208123 /nfs/dbraw/zinc/20/81/23/455208123.db2.gz CPBSKNUPUZZAAP-OAHLLOKOSA-N 1 0 329.419 3.044 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000157580173 455208993 /nfs/dbraw/zinc/20/89/93/455208993.db2.gz YZWPQVCHHKQYQZ-YWZLYKJASA-N 1 0 344.430 3.047 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000180615610 455209241 /nfs/dbraw/zinc/20/92/41/455209241.db2.gz CERYWYSKZFZFLI-OAHLLOKOSA-N 1 0 326.234 3.076 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1O ZINC000183378689 455285091 /nfs/dbraw/zinc/28/50/91/455285091.db2.gz PQQIXLZHHUOQTN-ZBFHGGJFSA-N 1 0 332.469 3.178 20 10 EGCDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccc1O ZINC000183474523 455297917 /nfs/dbraw/zinc/29/79/17/455297917.db2.gz UXZLRWHMTGLYFS-VQIMIIECSA-N 1 0 338.451 3.277 20 10 EGCDRO C[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O ZINC000183487025 455299005 /nfs/dbraw/zinc/29/90/05/455299005.db2.gz DFDIIFWSZXQMBE-BLLLJJGKSA-N 1 0 325.330 3.493 20 10 EGCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000158568386 455313114 /nfs/dbraw/zinc/31/31/14/455313114.db2.gz FTCJUZVFRBFKOF-CABCVRRESA-N 1 0 333.453 3.214 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+]Cc2cc(C)c(C)cc2O)N2CCOCC2)o1 ZINC000174251798 455374206 /nfs/dbraw/zinc/37/42/06/455374206.db2.gz UWYCEHPSAGAXEC-GOSISDBHSA-N 1 0 344.455 3.074 20 10 EGCDRO CCc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc(C)n1 ZINC000265972335 455418195 /nfs/dbraw/zinc/41/81/95/455418195.db2.gz BZBVXVZCWFSNLK-UHFFFAOYSA-N 1 0 340.471 3.168 20 10 EGCDRO COc1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1O ZINC000160194054 455437664 /nfs/dbraw/zinc/43/76/64/455437664.db2.gz VANLKBOVSFFHDG-QGZVFWFLSA-N 1 0 343.423 3.288 20 10 EGCDRO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160276557 455443955 /nfs/dbraw/zinc/44/39/55/455443955.db2.gz ZZJNBYUMMFDKOU-AWEZNQCLSA-N 1 0 343.423 3.408 20 10 EGCDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000184788831 455448475 /nfs/dbraw/zinc/44/84/75/455448475.db2.gz VWBTUUOOCGYNJQ-IBGZPJMESA-N 1 0 327.424 3.174 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cc(F)ccc1O ZINC000185069329 455496445 /nfs/dbraw/zinc/49/64/45/455496445.db2.gz BQCROHLPIIFNGJ-CQSZACIVSA-N 1 0 329.419 3.242 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)c1 ZINC000185084248 455498677 /nfs/dbraw/zinc/49/86/77/455498677.db2.gz DNZPUPFXWQEAHE-CYBMUJFWSA-N 1 0 338.411 3.141 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)c1 ZINC000185084227 455498953 /nfs/dbraw/zinc/49/89/53/455498953.db2.gz DNZPUPFXWQEAHE-ZDUSSCGKSA-N 1 0 338.411 3.141 20 10 EGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185322463 455539881 /nfs/dbraw/zinc/53/98/81/455539881.db2.gz CRHHVFUKRHDAHF-UONOGXRCSA-N 1 0 348.468 3.021 20 10 EGCDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185449970 455559002 /nfs/dbraw/zinc/55/90/02/455559002.db2.gz IBQXUJNJEKRPAT-HNNXBMFYSA-N 1 0 332.488 3.032 20 10 EGCDRO CCN(CC)c1ccc(CN[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000267940921 455567229 /nfs/dbraw/zinc/56/72/29/455567229.db2.gz QFFGEQMFPSEPGL-SFHVURJKSA-N 1 0 344.480 3.151 20 10 EGCDRO C[C@H](CCNC(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000182703169 455572043 /nfs/dbraw/zinc/57/20/43/455572043.db2.gz UJUCNEOFGSSSBT-QGZVFWFLSA-N 1 0 346.519 3.159 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000185547061 455576732 /nfs/dbraw/zinc/57/67/32/455576732.db2.gz JWOQAMBUNOZTED-OAHLLOKOSA-N 1 0 326.440 3.296 20 10 EGCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)cc1O ZINC000185674870 455593852 /nfs/dbraw/zinc/59/38/52/455593852.db2.gz GNPIYFBNBZGGPY-POJUEXTFSA-N 1 0 348.240 3.464 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000283960241 455616925 /nfs/dbraw/zinc/61/69/25/455616925.db2.gz KPMQMUIAXZMIGC-IBGZPJMESA-N 1 0 344.455 3.192 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+](C2CCC2)C2CCC2)cc1 ZINC000292289996 455620474 /nfs/dbraw/zinc/62/04/74/455620474.db2.gz CJWFAMHEGLQMPJ-UHFFFAOYSA-N 1 0 329.488 3.118 20 10 EGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000271517925 455668475 /nfs/dbraw/zinc/66/84/75/455668475.db2.gz MRSLNKKZEFOFNW-UKRRQHHQSA-N 1 0 328.250 3.448 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)c(O)c(OC)c1 ZINC000284324492 455669328 /nfs/dbraw/zinc/66/93/28/455669328.db2.gz WOTYVUCJPXULSQ-UHFFFAOYSA-N 1 0 344.455 3.498 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000186022471 455678365 /nfs/dbraw/zinc/67/83/65/455678365.db2.gz VBCCCIVGYUQVAZ-BBRMVZONSA-N 1 0 328.387 3.296 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000186049454 455684277 /nfs/dbraw/zinc/68/42/77/455684277.db2.gz AJXFBRLGKZPZGC-LBPRGKRZSA-N 1 0 349.814 3.448 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1OC ZINC000284460307 455689134 /nfs/dbraw/zinc/68/91/34/455689134.db2.gz QPVIHQYJRGQOCT-LSDHHAIUSA-N 1 0 346.254 3.425 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c(O)c1 ZINC000186078902 455689823 /nfs/dbraw/zinc/68/98/23/455689823.db2.gz RVURXCGAGKBVKG-OAHLLOKOSA-N 1 0 340.423 3.167 20 10 EGCDRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1=O ZINC000186101979 455694017 /nfs/dbraw/zinc/69/40/17/455694017.db2.gz XMUGTEXEUIPZFH-GDBMZVCRSA-N 1 0 340.423 3.165 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(F)ccc1O ZINC000186199545 455715343 /nfs/dbraw/zinc/71/53/43/455715343.db2.gz YBCRLOKYMUJBQJ-SNVBAGLBSA-N 1 0 326.318 3.421 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000192927728 455718693 /nfs/dbraw/zinc/71/86/93/455718693.db2.gz LACXBASGZNGSNO-CQSZACIVSA-N 1 0 340.423 3.378 20 10 EGCDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000284670498 455723247 /nfs/dbraw/zinc/72/32/47/455723247.db2.gz HPQAZXDREDLOQP-LPHOPBHVSA-N 1 0 327.428 3.019 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000186372799 455753796 /nfs/dbraw/zinc/75/37/96/455753796.db2.gz SZHJNAZXYVCRIS-AWEZNQCLSA-N 1 0 333.453 3.345 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Br)cc(C)c2O)o1 ZINC000271795390 455762786 /nfs/dbraw/zinc/76/27/86/455762786.db2.gz HRSQQLHTJLYPPI-CYBMUJFWSA-N 1 0 340.217 3.188 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c1O ZINC000278228365 455792096 /nfs/dbraw/zinc/79/20/96/455792096.db2.gz KBVCAKBIPPGFDG-UHFFFAOYSA-N 1 0 346.402 3.368 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1F ZINC000293693699 455795098 /nfs/dbraw/zinc/79/50/98/455795098.db2.gz QVYAEENOGQTDIL-GOSISDBHSA-N 1 0 331.435 3.136 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293771168 455797041 /nfs/dbraw/zinc/79/70/41/455797041.db2.gz PQMQUXRSVCLJPQ-HNNXBMFYSA-N 1 0 330.428 3.280 20 10 EGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1nnc2n1CCC2 ZINC000293861828 455799393 /nfs/dbraw/zinc/79/93/93/455799393.db2.gz UNOSCKHPONTXSF-GOSISDBHSA-N 1 0 348.450 3.394 20 10 EGCDRO CC(C)(CO)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000294774222 455827604 /nfs/dbraw/zinc/82/76/04/455827604.db2.gz KLVJPLGIBVFVGY-UHFFFAOYSA-N 1 0 329.440 3.469 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000294805994 455828490 /nfs/dbraw/zinc/82/84/90/455828490.db2.gz COKPCJUSPFJQIW-VQTJNVASSA-N 1 0 330.472 3.055 20 10 EGCDRO CCCNC(=O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294899413 455830797 /nfs/dbraw/zinc/83/07/97/455830797.db2.gz ZAOPGIASWKXVJR-UHFFFAOYSA-N 1 0 331.485 3.000 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)CCCn3ccnc3)cc2)CC1 ZINC000294874362 455830817 /nfs/dbraw/zinc/83/08/17/455830817.db2.gz DPEABJGKTIXQHA-UHFFFAOYSA-N 1 0 342.487 3.020 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)C3CCOCC3)cc2)CC1 ZINC000294997686 455834735 /nfs/dbraw/zinc/83/47/35/455834735.db2.gz NUMWIVOLEUUGPO-MRXNPFEDSA-N 1 0 332.488 3.207 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000278504479 455837925 /nfs/dbraw/zinc/83/79/25/455837925.db2.gz QUDYCEHCAXVULI-HKUYNNGSSA-N 1 0 341.503 3.196 20 10 EGCDRO COc1c(O)c(C[NH2+][C@H](c2nc(C)cs2)C2CC2)ccc1[N+](=O)[O-] ZINC000278542521 455838263 /nfs/dbraw/zinc/83/82/63/455838263.db2.gz XMPPJXCBBKPDME-ZDUSSCGKSA-N 1 0 349.412 3.315 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COCc1ccccc1Cl ZINC000269602811 455850192 /nfs/dbraw/zinc/85/01/92/455850192.db2.gz AUBSFFATKVQVCL-MRXNPFEDSA-N 1 0 335.831 3.055 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)ccc1N(C)C ZINC000295572801 455853843 /nfs/dbraw/zinc/85/38/43/455853843.db2.gz LNRXMBJBZLFECX-KRWDZBQOSA-N 1 0 331.504 3.175 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000296162379 455870526 /nfs/dbraw/zinc/87/05/26/455870526.db2.gz WPJCONNJELAAFQ-NSHDSACASA-N 1 0 332.356 3.168 20 10 EGCDRO Cc1cc(/C=C/C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000272328744 455915563 /nfs/dbraw/zinc/91/55/63/455915563.db2.gz VDLPYLJSZBLTRE-LBDIVEORSA-N 1 0 337.467 3.303 20 10 EGCDRO Cc1cccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c1O ZINC000187630287 455932458 /nfs/dbraw/zinc/93/24/58/455932458.db2.gz QPOZLHYFAHJJOT-UHFFFAOYSA-N 1 0 340.345 3.369 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1-n1ccnn1 ZINC000286017679 455961632 /nfs/dbraw/zinc/96/16/32/455961632.db2.gz JNOSIDIPUQTIIL-AWEZNQCLSA-N 1 0 339.418 3.323 20 10 EGCDRO Cc1ccc([C@@H]([NH2+]Cc2cccc(C)c2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280844626 456064925 /nfs/dbraw/zinc/06/49/25/456064925.db2.gz YSHDWIZXGGXFBY-QAPCUYQASA-N 1 0 347.480 3.273 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000188525085 456078464 /nfs/dbraw/zinc/07/84/64/456078464.db2.gz USUDADQOWAODRQ-LBPRGKRZSA-N 1 0 346.393 3.326 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccccc2N(C)C)cc1OC ZINC000288619954 456100474 /nfs/dbraw/zinc/10/04/74/456100474.db2.gz OHPNCZHFVFYUPE-UHFFFAOYSA-N 1 0 330.428 3.107 20 10 EGCDRO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)s1 ZINC000289621319 456134228 /nfs/dbraw/zinc/13/42/28/456134228.db2.gz DQFMDUQTYJMNRN-QMMMGPOBSA-N 1 0 342.262 3.208 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)ccc1OC ZINC000271244585 456189378 /nfs/dbraw/zinc/18/93/78/456189378.db2.gz VINCPNWGUCEQOI-LJQANCHMSA-N 1 0 347.430 3.064 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1O ZINC000271246989 456191577 /nfs/dbraw/zinc/19/15/77/456191577.db2.gz HKYUGPFGDXQSPS-UHFFFAOYSA-N 1 0 346.471 3.158 20 10 EGCDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1 ZINC000236881332 456196365 /nfs/dbraw/zinc/19/63/65/456196365.db2.gz GFFVNONSSDEAES-UHFFFAOYSA-N 1 0 327.428 3.242 20 10 EGCDRO CCCCC[N@H+](CCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000297437193 456220396 /nfs/dbraw/zinc/22/03/96/456220396.db2.gz ILMMFYDJBHQGOE-UHFFFAOYSA-N 1 0 334.504 3.286 20 10 EGCDRO Cc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c(O)c1 ZINC000273525962 456235833 /nfs/dbraw/zinc/23/58/33/456235833.db2.gz VFNZLXOHDBKIFJ-DOTOQJQBSA-N 1 0 340.471 3.409 20 10 EGCDRO CC[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(N(C)C)cc1 ZINC000274404345 456257999 /nfs/dbraw/zinc/25/79/99/456257999.db2.gz QREIPFUDURADCP-KRWDZBQOSA-N 1 0 330.501 3.338 20 10 EGCDRO COC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000297653751 456270905 /nfs/dbraw/zinc/27/09/05/456270905.db2.gz YRQHHNGGVMWXPG-SFHVURJKSA-N 1 0 332.488 3.160 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C)c(C)c3O)CC2)n[nH]1 ZINC000275845238 456331423 /nfs/dbraw/zinc/33/14/23/456331423.db2.gz HNIWDBCTZBFACX-OAHLLOKOSA-N 1 0 328.460 3.360 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccc1 ZINC000298499851 456474886 /nfs/dbraw/zinc/47/48/86/456474886.db2.gz YQOVLOSHHWUCDH-QGZVFWFLSA-N 1 0 337.467 3.308 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000291076983 456520307 /nfs/dbraw/zinc/52/03/07/456520307.db2.gz TYPIVKAZTQWSKV-CQSZACIVSA-N 1 0 330.403 3.156 20 10 EGCDRO COCC[C@H]1COCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000291359728 456618591 /nfs/dbraw/zinc/61/85/91/456618591.db2.gz YDGMSKONKVSQPY-IBGZPJMESA-N 1 0 327.424 3.297 20 10 EGCDRO CO[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000378169201 457381157 /nfs/dbraw/zinc/38/11/57/457381157.db2.gz OBJGFODUSJVZHN-QWHCGFSZSA-N 1 0 328.403 3.270 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000378428587 457395677 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COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1O ZINC000377905768 458569659 /nfs/dbraw/zinc/56/96/59/458569659.db2.gz UCSNNKWPBVWBOO-CQSZACIVSA-N 1 0 338.879 3.218 20 10 EGCDRO Cc1cc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cc[nH+]1 ZINC000530378457 458757737 /nfs/dbraw/zinc/75/77/37/458757737.db2.gz JMVMYUHYXCKEMG-UHFFFAOYSA-N 1 0 347.418 3.213 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000527237390 459614020 /nfs/dbraw/zinc/61/40/20/459614020.db2.gz YZNPTQOBBCTPBE-UHFFFAOYSA-N 1 0 335.455 3.035 20 10 EGCDRO CCn1nncc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000527919297 459772643 /nfs/dbraw/zinc/77/26/43/459772643.db2.gz GYZMSNUOKNOSKI-IBGZPJMESA-N 1 0 336.439 3.467 20 10 EGCDRO C[C@@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1cc2c(cc1O)CCCC2 ZINC000527999413 459791446 /nfs/dbraw/zinc/79/14/46/459791446.db2.gz KYRRIUASGMGPQV-YJYMSZOUSA-N 1 0 336.435 3.485 20 10 EGCDRO COc1ccc([C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C2CC2)cn1 ZINC000528849614 459815111 /nfs/dbraw/zinc/81/51/11/459815111.db2.gz RQKJEXDVAKDNIV-SFHVURJKSA-N 1 0 344.386 3.378 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c(C(F)(F)F)c1 ZINC000280693878 547373573 /nfs/dbraw/zinc/37/35/73/547373573.db2.gz VYHAOQDPKDMQKV-HNNXBMFYSA-N 1 0 330.394 3.364 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366651493 547783738 /nfs/dbraw/zinc/78/37/38/547783738.db2.gz GZEOFJTXGZILQO-SFHVURJKSA-N 1 0 345.487 3.331 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000731123377 575055959 /nfs/dbraw/zinc/05/59/59/575055959.db2.gz DNWVYGUQNLVGAL-GOSISDBHSA-N 1 0 346.519 3.016 20 10 EGCDRO COC(=O)CN(Cc1cccc(F)c1)Cc1cc(Cl)ccc1O ZINC000731846036 575211969 /nfs/dbraw/zinc/21/19/69/575211969.db2.gz IRZXQOXWSOXAIG-UHFFFAOYSA-N 1 0 337.778 3.360 20 10 EGCDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C1=CC(=O)CS1 ZINC000731872371 575214000 /nfs/dbraw/zinc/21/40/00/575214000.db2.gz HHIUWLDUCYEAIZ-UHFFFAOYSA-N 1 0 336.482 3.157 20 10 EGCDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820274 575290138 /nfs/dbraw/zinc/29/01/38/575290138.db2.gz GSVPKTLKVUUXNE-KBXCAEBGSA-N 1 0 335.448 3.082 20 10 EGCDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C)ccc1O ZINC000733322846 575327601 /nfs/dbraw/zinc/32/76/01/575327601.db2.gz UHTKEOIOWYLMIY-LJQANCHMSA-N 1 0 340.467 3.270 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)c1O ZINC000733332376 575329049 /nfs/dbraw/zinc/32/90/49/575329049.db2.gz VEZFDEZSRDGRTR-HNNXBMFYSA-N 1 0 329.396 3.413 20 10 EGCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734530110 575510264 /nfs/dbraw/zinc/51/02/64/575510264.db2.gz CQGZQDORCYKFLU-SFHVURJKSA-N 1 0 346.519 3.125 20 10 EGCDRO Oc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000734843933 575559534 /nfs/dbraw/zinc/55/95/34/575559534.db2.gz SYLBDVIRCHMASA-ZBFHGGJFSA-N 1 0 325.330 3.016 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741725032 576714048 /nfs/dbraw/zinc/71/40/48/576714048.db2.gz QRSGUMWMPODZIN-GUYCJALGSA-N 1 0 343.446 3.446 20 10 EGCDRO CC[C@@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)[NH+](CC)CC ZINC000742253039 576762784 /nfs/dbraw/zinc/76/27/84/576762784.db2.gz GNDMZRDHIHIYEK-KRWDZBQOSA-N 1 0 337.483 3.409 20 10 EGCDRO CC[N@H+](CCC(=O)OC(C)C)Cc1cc(Br)ccc1O ZINC000743874700 576818262 /nfs/dbraw/zinc/81/82/62/576818262.db2.gz ZRRSESPXHRIPJJ-UHFFFAOYSA-N 1 0 344.249 3.318 20 10 EGCDRO COc1ccc(C[NH2+]CC2CCSCC2)cc1Cn1cccn1 ZINC000873049113 1297247142 /nfs/dbraw/zinc/24/71/42/1297247142.db2.gz ACXGCVIRJPUWJM-UHFFFAOYSA-N 1 0 331.485 3.173 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1CC[NH2+]C ZINC000328056322 1297253251 /nfs/dbraw/zinc/25/32/51/1297253251.db2.gz IBYJDFOUSJRNHJ-UHFFFAOYSA-N 1 0 339.483 3.177 20 10 EGCDRO C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708135210 1298234945 /nfs/dbraw/zinc/23/49/45/1298234945.db2.gz XNIZMSCEQHLDEP-UHFFFAOYSA-N 1 0 345.668 3.160 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@H](COC(C)C)C3)c2c1 ZINC000769811806 1303179154 /nfs/dbraw/zinc/17/91/54/1303179154.db2.gz BCLYPZOYXGMNPZ-QGZVFWFLSA-N 1 0 345.439 3.180 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)N(C)C1CC1 ZINC000792975790 1309273965 /nfs/dbraw/zinc/27/39/65/1309273965.db2.gz DWERQMISQMRVAP-LBPRGKRZSA-N 1 0 329.410 3.344 20 10 EGCDRO CN(c1ccc(CNC(=O)C[NH2+]C(C)(C)C)cc1)C1CCCCC1 ZINC000051410295 1291675604 /nfs/dbraw/zinc/67/56/04/1291675604.db2.gz VEQYVMQNJMFEGS-UHFFFAOYSA-N 1 0 331.504 3.460 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]CC1(N3CCCCC3)CCCCC1)OCO2 ZINC000063256013 1292005410 /nfs/dbraw/zinc/00/54/10/1292005410.db2.gz BZVDGGNTRXPNMS-UHFFFAOYSA-N 1 0 346.471 3.399 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]Cc1cc(Br)cs1)OCO2 ZINC000070937871 1292263163 /nfs/dbraw/zinc/26/31/63/1292263163.db2.gz XEXFJNCCCJQXBB-UHFFFAOYSA-N 1 0 342.214 3.235 20 10 EGCDRO C[N@H+](CCOc1ccccc1F)Cc1ccc(N2CCOCC2)cc1 ZINC000072953292 1292299723 /nfs/dbraw/zinc/29/97/23/1292299723.db2.gz VOCNVTCJPTXTOF-UHFFFAOYSA-N 1 0 344.430 3.173 20 10 EGCDRO Cc1cc(C[N@H+](CC(N)=O)C2CCCC2)ccc1N1CCCCC1 ZINC000827678522 1292355933 /nfs/dbraw/zinc/35/59/33/1292355933.db2.gz FKXBSRCNSITLGQ-UHFFFAOYSA-N 1 0 329.488 3.215 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000827699829 1292359139 /nfs/dbraw/zinc/35/91/39/1292359139.db2.gz MPVZPFWAJYZVBO-BEFAXECRSA-N 1 0 347.459 3.035 20 10 EGCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000827821431 1292381429 /nfs/dbraw/zinc/38/14/29/1292381429.db2.gz ZRZRWWILITZYKB-HNNXBMFYSA-N 1 0 329.488 3.212 20 10 EGCDRO Cn1ccnc1N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000827892341 1292395819 /nfs/dbraw/zinc/39/58/19/1292395819.db2.gz WHOVTWRLXQIDSQ-UHFFFAOYSA-N 1 0 348.450 3.115 20 10 EGCDRO CC(=O)N1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C)C1 ZINC000828058603 1292424119 /nfs/dbraw/zinc/42/41/19/1292424119.db2.gz BQUNOVKCJWBNTE-KRWDZBQOSA-N 1 0 329.488 3.038 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccccc3OC)C2)cc1 ZINC000076361116 1292426804 /nfs/dbraw/zinc/42/68/04/1292426804.db2.gz CKHFLHXIWRANSS-MRXNPFEDSA-N 1 0 326.440 3.320 20 10 EGCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828365016 1292458054 /nfs/dbraw/zinc/45/80/54/1292458054.db2.gz NIUGACGGAFPPAY-FQEVSTJZSA-N 1 0 348.487 3.043 20 10 EGCDRO Cc1cc(C[N@@H+](C)C2(C(N)=O)CCCC2)ccc1N1CCCCC1 ZINC000828499359 1292468417 /nfs/dbraw/zinc/46/84/17/1292468417.db2.gz WMIQEFGZOBUMRA-UHFFFAOYSA-N 1 0 329.488 3.215 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])cc2)CC1 ZINC000828987891 1292525331 /nfs/dbraw/zinc/52/53/31/1292525331.db2.gz HHLDVINBLMUNJV-PZJWPPBQSA-N 1 0 343.515 3.447 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC(C)(C)OC[C@@H]3C)cc2)CC1 ZINC000829196335 1292552566 /nfs/dbraw/zinc/55/25/66/1292552566.db2.gz GFIBOMUSONGDLL-INIZCTEOSA-N 1 0 332.488 3.301 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)OC4(CCC4)C3)cc2)CC1 ZINC000830740053 1292761449 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CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N(CC)CC)cc1)CC2 ZINC000093614343 1292926166 /nfs/dbraw/zinc/92/61/66/1292926166.db2.gz NMZINEFTSLNLSM-WOJBJXKFSA-N 1 0 346.515 3.285 20 10 EGCDRO C[N@H+](CCc1cccs1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093685454 1292927000 /nfs/dbraw/zinc/92/70/00/1292927000.db2.gz KRVUDNARZAKLMS-UHFFFAOYSA-N 1 0 334.460 3.398 20 10 EGCDRO CC[C@@H](CC1CCCC1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273027 1292979508 /nfs/dbraw/zinc/97/95/08/1292979508.db2.gz LLZQZQLKXYRGOT-QFBILLFUSA-N 1 0 331.504 3.475 20 10 EGCDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000832279312 1292980757 /nfs/dbraw/zinc/98/07/57/1292980757.db2.gz IXIRLRIYPNLEBA-DNVCBOLYSA-N 1 0 331.504 3.475 20 10 EGCDRO CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1(C)C ZINC000832279347 1292980879 /nfs/dbraw/zinc/98/08/79/1292980879.db2.gz JECHWNOSPRJQPP-KZNAEPCWSA-N 1 0 329.488 3.107 20 10 EGCDRO CCC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832284374 1292982072 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CC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)NC(=O)OC(C)(C)C ZINC000227716672 1296147408 /nfs/dbraw/zinc/14/74/08/1296147408.db2.gz JXABQOFXURQYMH-ZDUSSCGKSA-N 1 0 328.840 3.439 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(C[NH3+])CCCC1 ZINC000237216761 1296227411 /nfs/dbraw/zinc/22/74/11/1296227411.db2.gz QEMJSJKVQVAYJH-UHFFFAOYSA-N 1 0 329.488 3.154 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCS[C@H]4COCC[C@H]43)c2c1 ZINC000246740768 1296368639 /nfs/dbraw/zinc/36/86/39/1296368639.db2.gz GRPPYQMIYFILPU-MJGOQNOKSA-N 1 0 345.464 3.260 20 10 EGCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000249782412 1296452927 /nfs/dbraw/zinc/45/29/27/1296452927.db2.gz QLTOCJLOYXWDRD-SJORKVTESA-N 1 0 346.519 3.014 20 10 EGCDRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c(C)n1-c1cccc(Cl)c1 ZINC000262587049 1296641090 /nfs/dbraw/zinc/64/10/90/1296641090.db2.gz WRPKXKFSCOHVNQ-OAHLLOKOSA-N 1 0 345.874 3.477 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H](n2cncn2)C1 ZINC000283998510 1296733356 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20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)c2nccs2)cc1Cn1cccn1 ZINC000873104028 1297273482 /nfs/dbraw/zinc/27/34/82/1297273482.db2.gz IVLPNWUMNJQQFO-AWEZNQCLSA-N 1 0 342.468 3.290 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1C ZINC000873104069 1297274378 /nfs/dbraw/zinc/27/43/78/1297274378.db2.gz JLXGMUIBHXMFHX-UHFFFAOYSA-N 1 0 338.451 3.360 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(NC(C)=O)nc2)cc1C ZINC000873115331 1297277503 /nfs/dbraw/zinc/27/75/03/1297277503.db2.gz GJRPJMVZHZTZBC-UHFFFAOYSA-N 1 0 327.428 3.427 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000385490024 1297582968 /nfs/dbraw/zinc/58/29/68/1297582968.db2.gz HXXHZUKXRHNJMZ-HKUYNNGSSA-N 1 0 340.467 3.252 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1C(=O)OC(C)(C)C ZINC000385498300 1297583260 /nfs/dbraw/zinc/58/32/60/1297583260.db2.gz YCRBBWDGUBYXHZ-YOEHRIQHSA-N 1 0 346.471 3.499 20 10 EGCDRO C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386334863 1297590609 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COCCC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000707134925 1298226760 /nfs/dbraw/zinc/22/67/60/1298226760.db2.gz LBFYOXWGVBBWNL-UHFFFAOYSA-N 1 0 328.250 3.403 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000708570989 1298242549 /nfs/dbraw/zinc/24/25/49/1298242549.db2.gz QVQOBWXBGNOEHN-NVXWUHKLSA-N 1 0 338.455 3.158 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ncc(Br)s1 ZINC000713712087 1298270592 /nfs/dbraw/zinc/27/05/92/1298270592.db2.gz OCEVDJFEHZUVTI-UHFFFAOYSA-N 1 0 338.274 3.317 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCOc3ccc(F)cc31)OCO2 ZINC000725848925 1298374936 /nfs/dbraw/zinc/37/49/36/1298374936.db2.gz MGUHPBBGTMWSFR-AWEZNQCLSA-N 1 0 331.343 3.264 20 10 EGCDRO C[C@@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000875573254 1298393164 /nfs/dbraw/zinc/39/31/64/1298393164.db2.gz JNRVZBJWXMJKKW-VCBZYWHSSA-N 1 0 341.455 3.444 20 10 EGCDRO CCC[N@H+](C)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000746172892 1298547867 /nfs/dbraw/zinc/54/78/67/1298547867.db2.gz OBYKRWQLQJJESB-UHFFFAOYSA-N 1 0 343.471 3.216 20 10 EGCDRO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c(C)cccc1O ZINC000876511399 1298800565 /nfs/dbraw/zinc/80/05/65/1298800565.db2.gz HFTPJDBRFMAVCP-UHFFFAOYSA-N 1 0 328.412 3.170 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000876649385 1298896581 /nfs/dbraw/zinc/89/65/81/1298896581.db2.gz UQYSKFJWJMKOHA-UHFFFAOYSA-N 1 0 339.483 3.235 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000748268482 1298972290 /nfs/dbraw/zinc/97/22/90/1298972290.db2.gz UFMQFUSSFHDGPA-KRWDZBQOSA-N 1 0 349.471 3.165 20 10 EGCDRO CCc1ccc([C@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)cc1 ZINC000748463467 1299015230 /nfs/dbraw/zinc/01/52/30/1299015230.db2.gz RTOWGDBHYRLBME-SFHVURJKSA-N 1 0 341.455 3.057 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCCC[C@H]1C ZINC000876931820 1299072912 /nfs/dbraw/zinc/07/29/12/1299072912.db2.gz WGQUBCNWLDAXMJ-QZTJIDSGSA-N 1 0 345.531 3.000 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sn1 ZINC000876946026 1299082186 /nfs/dbraw/zinc/08/21/86/1299082186.db2.gz MSKGNYCGXWMKCN-KBPBESRZSA-N 1 0 349.475 3.494 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(F)c1N)c1ccc(N2CCOCC2)cc1 ZINC000876987176 1299100193 /nfs/dbraw/zinc/10/01/93/1299100193.db2.gz RFNNNXGOPQAHET-CQSZACIVSA-N 1 0 329.419 3.095 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000876987510 1299102498 /nfs/dbraw/zinc/10/24/98/1299102498.db2.gz YTZSTOVETLLMJR-MRXNPFEDSA-N 1 0 326.440 3.388 20 10 EGCDRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc(C)cc2O)C1 ZINC000876998196 1299108082 /nfs/dbraw/zinc/10/80/82/1299108082.db2.gz CZRQVLKIZWNICE-MRXNPFEDSA-N 1 0 326.440 3.325 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000877472012 1299324082 /nfs/dbraw/zinc/32/40/82/1299324082.db2.gz HGTJWWBURJZWKG-OAQYLSRUSA-N 1 0 346.515 3.069 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000877478488 1299329154 /nfs/dbraw/zinc/32/91/54/1299329154.db2.gz IWLUIOXAXZAHDK-CYBMUJFWSA-N 1 0 339.357 3.059 20 10 EGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877481711 1299331447 /nfs/dbraw/zinc/33/14/47/1299331447.db2.gz QLBDNQUHDBFRON-OAQYLSRUSA-N 1 0 346.515 3.429 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000877502270 1299351535 /nfs/dbraw/zinc/35/15/35/1299351535.db2.gz DHZNKDJRCXMDAO-LJQANCHMSA-N 1 0 334.460 3.437 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000877501633 1299351760 /nfs/dbraw/zinc/35/17/60/1299351760.db2.gz SPSBIUJDIRANOV-INIZCTEOSA-N 1 0 326.440 3.352 20 10 EGCDRO CO[C@@]1(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000877523385 1299365467 /nfs/dbraw/zinc/36/54/67/1299365467.db2.gz YLAIPGZDZLIJFN-HXUWFJFHSA-N 1 0 344.455 3.153 20 10 EGCDRO COc1cccc(C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)c1O ZINC000877525720 1299368933 /nfs/dbraw/zinc/36/89/33/1299368933.db2.gz LWJNPTOFXOYKQC-UHFFFAOYSA-N 1 0 338.448 3.041 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2Br)c1 ZINC000877532841 1299373891 /nfs/dbraw/zinc/37/38/91/1299373891.db2.gz ISINWUJSBZEWAI-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(N3CCC(O)CC3)cc1)CCOCC2 ZINC000877608423 1299428737 /nfs/dbraw/zinc/42/87/37/1299428737.db2.gz VFBQGIFKMDESDF-QGZVFWFLSA-N 1 0 344.499 3.039 20 10 EGCDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877611616 1299431774 /nfs/dbraw/zinc/43/17/74/1299431774.db2.gz VVDBIFVHUURYJY-QGZVFWFLSA-N 1 0 332.488 3.037 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3noc4ccccc43)cc2)CC1 ZINC000877620820 1299437727 /nfs/dbraw/zinc/43/77/27/1299437727.db2.gz JQOOXBCQLHYFND-UHFFFAOYSA-N 1 0 337.423 3.079 20 10 EGCDRO CCCOc1ccc(C[NH2+]C2(CC(=O)OCC)CCOCC2)cc1C ZINC000877639629 1299448117 /nfs/dbraw/zinc/44/81/17/1299448117.db2.gz NCCINVFCZGBWPL-UHFFFAOYSA-N 1 0 349.471 3.376 20 10 EGCDRO Oc1c(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)ccc2ccccc12 ZINC000877675566 1299471284 /nfs/dbraw/zinc/47/12/84/1299471284.db2.gz QWZYMIAZLDIAMO-CQSZACIVSA-N 1 0 336.317 3.030 20 10 EGCDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3c(C)cccc3O)CC2)c1 ZINC000877694428 1299486693 /nfs/dbraw/zinc/48/66/93/1299486693.db2.gz JLZMCBLYTYOAMW-UHFFFAOYSA-N 1 0 338.451 3.403 20 10 EGCDRO CCOC(=O)N[C@H](C[NH2+]Cc1c(O)cccc1Cl)CC(C)C ZINC000751503331 1299559332 /nfs/dbraw/zinc/55/93/32/1299559332.db2.gz PCIXMEWFQSFUOJ-LBPRGKRZSA-N 1 0 328.840 3.296 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](O)c1ccccc1 ZINC000877833421 1299600269 /nfs/dbraw/zinc/60/02/69/1299600269.db2.gz VIVSRFHHADKYCZ-DNVCBOLYSA-N 1 0 331.412 3.011 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCOCc3ccccc3)CC2)cc1 ZINC000753994284 1300060705 /nfs/dbraw/zinc/06/07/05/1300060705.db2.gz HCELFLOKYCTSGO-UHFFFAOYSA-N 1 0 340.467 3.424 20 10 EGCDRO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000754863075 1300232603 /nfs/dbraw/zinc/23/26/03/1300232603.db2.gz PTLQWLWFKOHSAL-MOXPCZPISA-N 1 0 325.408 3.353 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c(O)c1C ZINC000756385620 1300481361 /nfs/dbraw/zinc/48/13/61/1300481361.db2.gz UFOQEDZOGSULJZ-AWEZNQCLSA-N 1 0 348.468 3.231 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000756433364 1300489350 /nfs/dbraw/zinc/48/93/50/1300489350.db2.gz YILHGEPCQUNIAY-HOTGVXAUSA-N 1 0 348.487 3.484 20 10 EGCDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000756530302 1300515307 /nfs/dbraw/zinc/51/53/07/1300515307.db2.gz XBWUHSMGOWPQME-CJNGLKHVSA-N 1 0 332.444 3.152 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000756546926 1300518832 /nfs/dbraw/zinc/51/88/32/1300518832.db2.gz VXTBGOQWTYLZDN-OAHLLOKOSA-N 1 0 332.488 3.032 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000756630985 1300536848 /nfs/dbraw/zinc/53/68/48/1300536848.db2.gz WTQVUUCMYIDZAS-HNNXBMFYSA-N 1 0 336.476 3.338 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)c2c1c(F)ccc2O ZINC000756648868 1300539939 /nfs/dbraw/zinc/53/99/39/1300539939.db2.gz LQWBPFURFKJPHN-GXFFZTMASA-N 1 0 336.407 3.289 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc(Cl)ccc1O ZINC000756659120 1300543826 /nfs/dbraw/zinc/54/38/26/1300543826.db2.gz MMPCESNKHGCKJG-XKQJLSEDSA-N 1 0 338.879 3.340 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc2c(cc1O)CCCC2 ZINC000756736338 1300556469 /nfs/dbraw/zinc/55/64/69/1300556469.db2.gz MKUOQAMVAFKXCX-XJKSGUPXSA-N 1 0 330.472 3.321 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c(O)c1C ZINC000756757334 1300561687 /nfs/dbraw/zinc/56/16/87/1300561687.db2.gz MQANEZYQGJCSKX-AWEZNQCLSA-N 1 0 345.464 3.190 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c2c1c(F)ccc2O ZINC000756770739 1300564359 /nfs/dbraw/zinc/56/43/59/1300564359.db2.gz MHMTYSCUBOUNNX-JDIZFGSQSA-N 1 0 345.414 3.154 20 10 EGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)C(F)(F)F ZINC000756836947 1300573501 /nfs/dbraw/zinc/57/35/01/1300573501.db2.gz ZSKMHSDFVHTZDA-RDDDGLTNSA-N 1 0 342.155 3.383 20 10 EGCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccccc21 ZINC000757001961 1300609343 /nfs/dbraw/zinc/60/93/43/1300609343.db2.gz UYTIFEGVZDQEJO-SFHVURJKSA-N 1 0 341.430 3.479 20 10 EGCDRO C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccccc1O ZINC000879649289 1300649319 /nfs/dbraw/zinc/64/93/19/1300649319.db2.gz PNIRXWDUUMHKAR-CYBMUJFWSA-N 1 0 330.453 3.079 20 10 EGCDRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879650034 1300649574 /nfs/dbraw/zinc/64/95/74/1300649574.db2.gz YKTLYUWOVZZINL-OLZOCXBDSA-N 1 0 344.411 3.087 20 10 EGCDRO O=C1NCCc2ccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)cc21 ZINC000757944360 1300762100 /nfs/dbraw/zinc/76/21/00/1300762100.db2.gz USYIBXZBSGPVPR-UHFFFAOYSA-N 1 0 349.478 3.253 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1C ZINC000758530774 1300904143 /nfs/dbraw/zinc/90/41/43/1300904143.db2.gz WOAYGRAYBMUBNS-AZUAARDMSA-N 1 0 329.415 3.399 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000760550454 1301294316 /nfs/dbraw/zinc/29/43/16/1301294316.db2.gz MWWNXWZIDMFGAU-INIZCTEOSA-N 1 0 345.487 3.034 20 10 EGCDRO COc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c(OC)c1 ZINC000761223232 1301424522 /nfs/dbraw/zinc/42/45/22/1301424522.db2.gz NTUGKFXKUWSHPR-UHFFFAOYSA-N 1 0 344.455 3.281 20 10 EGCDRO CCN(C)c1ccc(Cn2cc(C[NH2+]C3CCCCC3)nn2)cc1 ZINC000881314991 1301523053 /nfs/dbraw/zinc/52/30/53/1301523053.db2.gz KHMGLCCLLYWCMJ-UHFFFAOYSA-N 1 0 327.476 3.205 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)CC3CCC3)CC2)cc1 ZINC000764676020 1302115977 /nfs/dbraw/zinc/11/59/77/1302115977.db2.gz NRVKTKWLEWNILY-GOSISDBHSA-N 1 0 345.531 3.376 20 10 EGCDRO CC[C@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000764685431 1302117595 /nfs/dbraw/zinc/11/75/95/1302117595.db2.gz VVPKCCFOTFIPMV-FQEVSTJZSA-N 1 0 333.520 3.232 20 10 EGCDRO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764741400 1302126484 /nfs/dbraw/zinc/12/64/84/1302126484.db2.gz CUTWVYRMTDBCHL-QKLQHJQFSA-N 1 0 333.520 3.293 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000764884468 1302159616 /nfs/dbraw/zinc/15/96/16/1302159616.db2.gz KNFYHPNBTIDFAZ-LJQANCHMSA-N 1 0 340.471 3.065 20 10 EGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765250604 1302229848 /nfs/dbraw/zinc/22/98/48/1302229848.db2.gz CJYDUMZXCBWRCB-AOIWGVFYSA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765254519 1302229874 /nfs/dbraw/zinc/22/98/74/1302229874.db2.gz NFZUZGOYJYLYNB-LSDHHAIUSA-N 1 0 338.879 3.254 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765312192 1302245637 /nfs/dbraw/zinc/24/56/37/1302245637.db2.gz YLBLGOUTVFWURO-LJQANCHMSA-N 1 0 343.446 3.362 20 10 EGCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccc(C)o3)CC2)cc1 ZINC000765399995 1302260942 /nfs/dbraw/zinc/26/09/42/1302260942.db2.gz CGTFCDPEXAAEAK-KRWDZBQOSA-N 1 0 343.471 3.069 20 10 EGCDRO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765765394 1302320792 /nfs/dbraw/zinc/32/07/92/1302320792.db2.gz CROXVRPEIZKFIW-HZPDHXFCSA-N 1 0 337.483 3.043 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765781738 1302325286 /nfs/dbraw/zinc/32/52/86/1302325286.db2.gz PTUJXAJUGCYPIH-HUUCEWRRSA-N 1 0 349.906 3.064 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000765977007 1302359889 /nfs/dbraw/zinc/35/98/89/1302359889.db2.gz PFQORJPRKYSURW-UTKZUKDTSA-N 1 0 345.531 3.437 20 10 EGCDRO c1csc(SCCC[NH2+]C2CCN(Cc3ccccn3)CC2)n1 ZINC000766072896 1302382403 /nfs/dbraw/zinc/38/24/03/1302382403.db2.gz OBDBDQARESDCPV-UHFFFAOYSA-N 1 0 348.541 3.275 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H]2CCCCN2C2CC2)ccc1OC ZINC000766222347 1302412188 /nfs/dbraw/zinc/41/21/88/1302412188.db2.gz FQZGZLXHPWBSHB-LJQANCHMSA-N 1 0 332.488 3.338 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000768140783 1302833752 /nfs/dbraw/zinc/83/37/52/1302833752.db2.gz JYTMZHLTWTXXLL-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000768226378 1302858452 /nfs/dbraw/zinc/85/84/52/1302858452.db2.gz NGIBNAGUVAOQMA-UHFFFAOYSA-N 1 0 341.407 3.201 20 10 EGCDRO CC(C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440015 1302900614 /nfs/dbraw/zinc/90/06/14/1302900614.db2.gz NDMWLJRNZIQHFQ-IBGZPJMESA-N 1 0 327.424 3.476 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1OC ZINC000768437623 1302902144 /nfs/dbraw/zinc/90/21/44/1302902144.db2.gz BIOOFNYAKFWFHF-UHFFFAOYSA-N 1 0 347.411 3.059 20 10 EGCDRO COc1cc(CN2CC[NH+](CCc3ccccc3)CC2)c(O)cc1C ZINC000768441913 1302903843 /nfs/dbraw/zinc/90/38/43/1302903843.db2.gz LPXPLGJLXXWLSJ-UHFFFAOYSA-N 1 0 340.467 3.070 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768446334 1302907370 /nfs/dbraw/zinc/90/73/70/1302907370.db2.gz MWAMFXLVMUMSLO-MJGOQNOKSA-N 1 0 343.448 3.108 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769008399 1303031299 /nfs/dbraw/zinc/03/12/99/1303031299.db2.gz XKRRITPFRMCLCE-SJLPKXTDSA-N 1 0 331.504 3.269 20 10 EGCDRO CCCCCC(=O)NC1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000769224641 1303075486 /nfs/dbraw/zinc/07/54/86/1303075486.db2.gz VOYRZLATYMOEJU-UHFFFAOYSA-N 1 0 348.487 3.452 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000769382922 1303102456 /nfs/dbraw/zinc/10/24/56/1303102456.db2.gz YUTGSZKAWOLPSQ-HZPDHXFCSA-N 1 0 330.394 3.420 20 10 EGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c1O ZINC000769496121 1303126521 /nfs/dbraw/zinc/12/65/21/1303126521.db2.gz KKBVLKFBJXKKQT-DLBZAZTESA-N 1 0 334.460 3.012 20 10 EGCDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769994677 1303203284 /nfs/dbraw/zinc/20/32/84/1303203284.db2.gz INAWORTUKPLLKY-VUBDOFJKSA-N 1 0 338.879 3.154 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000770294451 1303245933 /nfs/dbraw/zinc/24/59/33/1303245933.db2.gz ZGQBWUACSGAKOC-LPHOPBHVSA-N 1 0 347.459 3.178 20 10 EGCDRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000771382060 1303396384 /nfs/dbraw/zinc/39/63/84/1303396384.db2.gz IKZVLZYEUMUGPG-GFCCVEGCSA-N 1 0 332.469 3.426 20 10 EGCDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747076 1303582944 /nfs/dbraw/zinc/58/29/44/1303582944.db2.gz KKMYVGPAXUEAHP-HNNXBMFYSA-N 1 0 329.488 3.057 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000886749449 1303583294 /nfs/dbraw/zinc/58/32/94/1303583294.db2.gz SQKQLFYCTPLQNP-VQTJNVASSA-N 1 0 341.499 3.057 20 10 EGCDRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(N(C)C)cc1 ZINC000773611316 1303714054 /nfs/dbraw/zinc/71/40/54/1303714054.db2.gz HSGXEKUZLIKFDL-QFBILLFUSA-N 1 0 344.503 3.083 20 10 EGCDRO CCCNC(=O)C1([NH2+]Cc2ccc(N(C)CC)cc2)CCCCC1 ZINC000773779207 1303738834 /nfs/dbraw/zinc/73/88/34/1303738834.db2.gz FJDLBFKRBLNQRD-UHFFFAOYSA-N 1 0 331.504 3.461 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000774483231 1303816015 /nfs/dbraw/zinc/81/60/15/1303816015.db2.gz NGFAXWVVJYUAGO-KGLIPLIRSA-N 1 0 331.485 3.170 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCNC(=O)C(F)(F)F)cc1 ZINC000774547402 1303826525 /nfs/dbraw/zinc/82/65/25/1303826525.db2.gz NEIFKVKWVZLMGO-UHFFFAOYSA-N 1 0 345.409 3.033 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)ccc1[N+](=O)[O-] ZINC000774834751 1303864415 /nfs/dbraw/zinc/86/44/15/1303864415.db2.gz XVDSOYDXMLXPKL-CQSZACIVSA-N 1 0 329.356 3.041 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000774879628 1303871895 /nfs/dbraw/zinc/87/18/95/1303871895.db2.gz JNJWWDVTOGKMDT-ZDUSSCGKSA-N 1 0 346.358 3.438 20 10 EGCDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774913719 1303876543 /nfs/dbraw/zinc/87/65/43/1303876543.db2.gz OZUKKRWZZXSCMX-OLZOCXBDSA-N 1 0 340.445 3.415 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)c1 ZINC000775369308 1303948558 /nfs/dbraw/zinc/94/85/58/1303948558.db2.gz NHPFPAPIIXHBIQ-NSHDSACASA-N 1 0 334.803 3.344 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1Oc1ccccc1 ZINC000775499422 1303974503 /nfs/dbraw/zinc/97/45/03/1303974503.db2.gz DNXIQLKLQIWERF-TYPHKJRUSA-N 1 0 339.435 3.336 20 10 EGCDRO CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Cl)ccc1O ZINC000775506711 1303976528 /nfs/dbraw/zinc/97/65/28/1303976528.db2.gz CNMUFFSSUHVWPK-OAHLLOKOSA-N 1 0 326.868 3.197 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)COCCOC)c1cc(Br)ccc1O ZINC000775524476 1303978333 /nfs/dbraw/zinc/97/83/33/1303978333.db2.gz ABKDXDQCPWFLCD-SMDDNHRTSA-N 1 0 346.265 3.247 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cc(Cl)ccc1O ZINC000775527011 1303979566 /nfs/dbraw/zinc/97/95/66/1303979566.db2.gz VFSOCSDBLSYSAX-UKPHBRMFSA-N 1 0 325.836 3.424 20 10 EGCDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775830648 1304045121 /nfs/dbraw/zinc/04/51/21/1304045121.db2.gz MAFPFAQQUMUDLB-HNNXBMFYSA-N 1 0 341.455 3.441 20 10 EGCDRO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834276 1304046486 /nfs/dbraw/zinc/04/64/86/1304046486.db2.gz MTJQVEWEAASDLO-MRXNPFEDSA-N 1 0 325.456 3.028 20 10 EGCDRO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775834400 1304047122 /nfs/dbraw/zinc/04/71/22/1304047122.db2.gz NNOWLRMDBCQVOO-HNNXBMFYSA-N 1 0 343.446 3.167 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775837035 1304047528 /nfs/dbraw/zinc/04/75/28/1304047528.db2.gz QPPDZADUUCUWHT-HOTGVXAUSA-N 1 0 337.467 3.381 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775835537 1304048140 /nfs/dbraw/zinc/04/81/40/1304048140.db2.gz UIRMOGBGKDITQA-GJYPPUQNSA-N 1 0 331.504 3.440 20 10 EGCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775984360 1304074408 /nfs/dbraw/zinc/07/44/08/1304074408.db2.gz FQOLNTDDIULJFJ-JKSUJKDBSA-N 1 0 346.475 3.110 20 10 EGCDRO C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776238443 1304118582 /nfs/dbraw/zinc/11/85/82/1304118582.db2.gz ODNUJJQOOSWPRL-HOTGVXAUSA-N 1 0 346.519 3.185 20 10 EGCDRO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000776236928 1304118905 /nfs/dbraw/zinc/11/89/05/1304118905.db2.gz CXWSKHBMOPKTOP-INIZCTEOSA-N 1 0 346.519 3.329 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589855 1304176984 /nfs/dbraw/zinc/17/69/84/1304176984.db2.gz WJTSYHQXMOWOLC-SFHVURJKSA-N 1 0 330.384 3.246 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000776806666 1304202286 /nfs/dbraw/zinc/20/22/86/1304202286.db2.gz FLVMJJUTXIIMOC-STQMWFEESA-N 1 0 340.851 3.392 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c(O)c1 ZINC000776958291 1304223910 /nfs/dbraw/zinc/22/39/10/1304223910.db2.gz CHDSHGGJHGWELK-QGZVFWFLSA-N 1 0 335.444 3.346 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000779003848 1304516988 /nfs/dbraw/zinc/51/69/88/1304516988.db2.gz ZYFBZHUZMKFCHI-HNNXBMFYSA-N 1 0 338.423 3.411 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1O ZINC000779004225 1304517018 /nfs/dbraw/zinc/51/70/18/1304517018.db2.gz PBDMBMLVVIKLKY-XHDPSFHLSA-N 1 0 341.293 3.454 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(O)CCCC2)c1O ZINC000779024474 1304519715 /nfs/dbraw/zinc/51/97/15/1304519715.db2.gz NFDMESBOEYTCTE-LLVKDONJSA-N 1 0 328.250 3.419 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000779988697 1304629413 /nfs/dbraw/zinc/62/94/13/1304629413.db2.gz PJKSMHABYXKZFE-NVXWUHKLSA-N 1 0 347.459 3.490 20 10 EGCDRO C/C(=C\c1ccco1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245318 1304999717 /nfs/dbraw/zinc/99/97/17/1304999717.db2.gz COEFQAUJDHDMGI-OCKXMSAZSA-N 1 0 341.455 3.168 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1O ZINC000782841843 1305015926 /nfs/dbraw/zinc/01/59/26/1305015926.db2.gz HBQRIDAIZSVUTA-HNNXBMFYSA-N 1 0 346.402 3.287 20 10 EGCDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000783594046 1305113374 /nfs/dbraw/zinc/11/33/74/1305113374.db2.gz TUUGZWSZGJTESS-UHFFFAOYSA-N 1 0 325.456 3.499 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000783609308 1305115764 /nfs/dbraw/zinc/11/57/64/1305115764.db2.gz SMBUMABCXVNJTF-AWEZNQCLSA-N 1 0 340.414 3.273 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000783626167 1305119302 /nfs/dbraw/zinc/11/93/02/1305119302.db2.gz JVUPJCHXWAGCOQ-YOEHRIQHSA-N 1 0 338.879 3.026 20 10 EGCDRO Cc1ccncc1/C=C/C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000783910639 1305161111 /nfs/dbraw/zinc/16/11/11/1305161111.db2.gz WRLFJFUABQMBBL-CSHXORCISA-N 1 0 333.435 3.414 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000891806028 1305173104 /nfs/dbraw/zinc/17/31/04/1305173104.db2.gz UWAGMSYVIJBXEN-RDTXWAMCSA-N 1 0 343.423 3.371 20 10 EGCDRO CCc1cc(C[NH+]2CCC3(COC(=O)N3)CC2)c(O)c(C(C)(C)C)c1 ZINC000784022832 1305177905 /nfs/dbraw/zinc/17/79/05/1305177905.db2.gz BHNODEGATDVIQM-UHFFFAOYSA-N 1 0 346.471 3.327 20 10 EGCDRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1O ZINC000892790525 1305554499 /nfs/dbraw/zinc/55/44/99/1305554499.db2.gz DPHMMSVUVJIGKK-UHFFFAOYSA-N 1 0 325.334 3.162 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)c(O)c1OC ZINC000892948814 1305622130 /nfs/dbraw/zinc/62/21/30/1305622130.db2.gz BMHSJWJXEJWXFL-AWEZNQCLSA-N 1 0 345.395 3.031 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(O)c1C ZINC000786960405 1305667611 /nfs/dbraw/zinc/66/76/11/1305667611.db2.gz ICNAIYVKKXQFKH-LBPRGKRZSA-N 1 0 339.482 3.325 20 10 EGCDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893132167 1305725208 /nfs/dbraw/zinc/72/52/08/1305725208.db2.gz LROXUKAAAPRXDO-OAHLLOKOSA-N 1 0 329.396 3.195 20 10 EGCDRO Cc1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000788124640 1305872700 /nfs/dbraw/zinc/87/27/00/1305872700.db2.gz YDKCTFXYLDLOSG-DLBZAZTESA-N 1 0 339.439 3.273 20 10 EGCDRO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788622475 1305985843 /nfs/dbraw/zinc/98/58/43/1305985843.db2.gz AWIAATAORRVUED-CHWSQXEVSA-N 1 0 348.409 3.418 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1O ZINC000894145360 1306243530 /nfs/dbraw/zinc/24/35/30/1306243530.db2.gz AVRJXXHNHPQJFE-INIZCTEOSA-N 1 0 330.428 3.229 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1nnc2n1CCCCC2 ZINC000894213218 1306280632 /nfs/dbraw/zinc/28/06/32/1306280632.db2.gz MSHJWRJBYYTGMS-HNNXBMFYSA-N 1 0 344.459 3.268 20 10 EGCDRO COC(=O)Nc1ccc(CC[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894304442 1306332333 /nfs/dbraw/zinc/33/23/33/1306332333.db2.gz PYEZGKBWTJSTBN-UHFFFAOYSA-N 1 0 344.411 3.220 20 10 EGCDRO CCC[N@H+](CCN1CCCCC1)Cc1ccc(OC)c(OC)c1O ZINC000894416800 1308867079 /nfs/dbraw/zinc/86/70/79/1308867079.db2.gz FMUAPNJVOCSUGW-UHFFFAOYSA-N 1 0 336.476 3.107 20 10 EGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000790995456 1308906712 /nfs/dbraw/zinc/90/67/12/1308906712.db2.gz MVOPIAXZIWUSIZ-SFHVURJKSA-N 1 0 349.475 3.470 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1O ZINC000894550820 1308950152 /nfs/dbraw/zinc/95/01/52/1308950152.db2.gz NMFFOTTVYRJPII-HRAATJIYSA-N 1 0 343.467 3.429 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1O ZINC000894913607 1309126105 /nfs/dbraw/zinc/12/61/05/1309126105.db2.gz BNSWPIRDTUAMTQ-NVXWUHKLSA-N 1 0 328.412 3.114 20 10 EGCDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793030973 1309283303 /nfs/dbraw/zinc/28/33/03/1309283303.db2.gz FAQVWXKTOSTEJO-HNNXBMFYSA-N 1 0 345.409 3.022 20 10 EGCDRO COc1ccc(N2CC[NH+](CC3CCC(OC)CC3)CC2)c(OC)c1 ZINC000895817289 1309533496 /nfs/dbraw/zinc/53/34/96/1309533496.db2.gz MVGJDIMIJSSJRF-UHFFFAOYSA-N 1 0 348.487 3.031 20 10 EGCDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000794797655 1309597101 /nfs/dbraw/zinc/59/71/01/1309597101.db2.gz PFVUPNUXMWYKNH-SFHVURJKSA-N 1 0 342.512 3.141 20 10 EGCDRO OC1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000796743009 1310077082 /nfs/dbraw/zinc/07/70/82/1310077082.db2.gz IEDJDVOBUVGXQY-UHFFFAOYSA-N 1 0 340.414 3.150 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccnc2)cc1Cn1cccn1 ZINC000897965209 1310531756 /nfs/dbraw/zinc/53/17/56/1310531756.db2.gz OGAUCNMOVCUURD-INIZCTEOSA-N 1 0 336.439 3.056 20 10 EGCDRO COCc1csc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898448119 1310739489 /nfs/dbraw/zinc/73/94/89/1310739489.db2.gz PKDZIYMZXYJXNR-IBGZPJMESA-N 1 0 347.528 3.353 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccnc2Cl)N(C)C)cc1 ZINC000898452356 1310743034 /nfs/dbraw/zinc/74/30/34/1310743034.db2.gz XFJKLXAQMHNNIW-QGZVFWFLSA-N 1 0 332.879 3.194 20 10 EGCDRO Cc1cccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)c1O ZINC000800543624 1310780731 /nfs/dbraw/zinc/78/07/31/1310780731.db2.gz GATOQEJDXHTCEJ-MRXNPFEDSA-N 1 0 326.440 3.352 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CCCNc1ccccn1 ZINC000825429345 1320337586 /nfs/dbraw/zinc/33/75/86/1320337586.db2.gz LBZQBEKWXOZEEW-UHFFFAOYSA-N 1 0 336.233 3.142 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)cc1Cl ZINC000825738209 1320359800 /nfs/dbraw/zinc/35/98/00/1320359800.db2.gz KHQZKBDMVKASJX-LLVKDONJSA-N 1 0 328.840 3.357 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000826020404 1320378948 /nfs/dbraw/zinc/37/89/48/1320378948.db2.gz UBJDTDZDGVXOQL-QUCCMNQESA-N 1 0 331.504 3.399 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@H](OC)c3ccccc3)CC2)cc1 ZINC000801911163 1316964962 /nfs/dbraw/zinc/96/49/62/1316964962.db2.gz VHQVNXIYGRVIRE-FQEVSTJZSA-N 1 0 326.440 3.205 20 10 EGCDRO CCc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)o1 ZINC001019051746 1317025591 /nfs/dbraw/zinc/02/55/91/1317025591.db2.gz JLGYPFSJTOOMJQ-INIZCTEOSA-N 1 0 342.439 3.163 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CC=CCC3)C2)cc1C ZINC001019245459 1317122058 /nfs/dbraw/zinc/12/20/58/1317122058.db2.gz WAGBBUOLMDJRSG-HKUYNNGSSA-N 1 0 342.483 3.441 20 10 EGCDRO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000805311163 1317340518 /nfs/dbraw/zinc/34/05/18/1317340518.db2.gz YPVDFTDKEQFWHS-BXWFABGCSA-N 1 0 344.503 3.082 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)C[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000805424860 1317361648 /nfs/dbraw/zinc/36/16/48/1317361648.db2.gz DEDKMOHKHLQEJH-LBPRGKRZSA-N 1 0 333.863 3.427 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1F ZINC000858165814 1328702079 /nfs/dbraw/zinc/70/20/79/1328702079.db2.gz OGTMNZWIGPMHRN-UZLBHIALSA-N 1 0 346.421 3.287 20 10 EGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858170357 1328702471 /nfs/dbraw/zinc/70/24/71/1328702471.db2.gz JLGICRVEQGIYNY-LLVKDONJSA-N 1 0 340.336 3.478 20 10 EGCDRO CCc1cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(O)c(C(C)(C)C)c1 ZINC000902500472 1317583981 /nfs/dbraw/zinc/58/39/81/1317583981.db2.gz WEXXSBDPVILHHN-UHFFFAOYSA-N 1 0 346.471 3.327 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC34CC4)C2)cc1C ZINC001020287757 1317628279 /nfs/dbraw/zinc/62/82/79/1317628279.db2.gz JSCMEJFTXYBITP-BZSNNMDCSA-N 1 0 342.483 3.321 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000808243335 1317649882 /nfs/dbraw/zinc/64/98/82/1317649882.db2.gz GKXVAACWBSKCAE-UHFFFAOYSA-N 1 0 338.249 3.100 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCSC2)c1O ZINC000808429949 1317676693 /nfs/dbraw/zinc/67/66/93/1317676693.db2.gz KOACHNLSJYKAFH-JTQLQIEISA-N 1 0 346.290 3.396 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000808454846 1317680639 /nfs/dbraw/zinc/68/06/39/1317680639.db2.gz UCOGDADMZLWCTD-ICSRJNTNSA-N 1 0 326.440 3.117 20 10 EGCDRO COc1ccnc([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903448087 1317702555 /nfs/dbraw/zinc/70/25/55/1317702555.db2.gz JLKUYBRBOIQICF-FOIQADDNSA-N 1 0 342.487 3.110 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)c1O ZINC000808675158 1317713918 /nfs/dbraw/zinc/71/39/18/1317713918.db2.gz YBSFBZVTAGHLAA-HIFRSBDPSA-N 1 0 335.831 3.445 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1O ZINC000808695447 1317717652 /nfs/dbraw/zinc/71/76/52/1317717652.db2.gz IAEQNNFLXIHLRG-CYBMUJFWSA-N 1 0 326.868 3.115 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOC[C@H]2CCOC2)c1O ZINC000808697306 1317717824 /nfs/dbraw/zinc/71/78/24/1317717824.db2.gz BYMSCLNLJDTVAP-ZIAGYGMSSA-N 1 0 327.852 3.448 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1ccc(C)cc1O ZINC000808722196 1317723239 /nfs/dbraw/zinc/72/32/39/1317723239.db2.gz AIFIGAWDZYEPBK-WZGPROSRSA-N 1 0 330.472 3.388 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CCC(F)CC3)C2)cc1C ZINC001020549936 1317761187 /nfs/dbraw/zinc/76/11/87/1317761187.db2.gz AEVJGXDSSPBMQY-VNGAXPGBSA-N 1 0 348.462 3.269 20 10 EGCDRO CCCC[N@H+](Cc1cc(C(=O)OC)n(C)c1)Cc1ccccc1O ZINC000809662964 1317859230 /nfs/dbraw/zinc/85/92/30/1317859230.db2.gz HXAATLIMCQNXDK-UHFFFAOYSA-N 1 0 330.428 3.320 20 10 EGCDRO CCCN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(OC)c1O ZINC000809701094 1317868125 /nfs/dbraw/zinc/86/81/25/1317868125.db2.gz UGNBDCWCCVETMC-UHFFFAOYSA-N 1 0 326.868 3.362 20 10 EGCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Br)ccc1O ZINC000809702981 1317869374 /nfs/dbraw/zinc/86/93/74/1317869374.db2.gz BRJDHJAUPPMVHZ-DOMZBBRYSA-N 1 0 339.277 3.213 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)c1 ZINC000809711353 1317873767 /nfs/dbraw/zinc/87/37/67/1317873767.db2.gz UYDJVGGWVZCXGK-QGZVFWFLSA-N 1 0 343.423 3.453 20 10 EGCDRO CN(C)c1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)cc1F ZINC000809717977 1317874679 /nfs/dbraw/zinc/87/46/79/1317874679.db2.gz DGWDMIGHVFQFTA-UHFFFAOYSA-N 1 0 333.451 3.439 20 10 EGCDRO COc1ccc2nc(C[NH2+]Cc3cccc(OC)c3O)sc2c1 ZINC000809740221 1317886024 /nfs/dbraw/zinc/88/60/24/1317886024.db2.gz QDHNCHVGTXMOKZ-UHFFFAOYSA-N 1 0 330.409 3.309 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)c1O ZINC000809741770 1317886481 /nfs/dbraw/zinc/88/64/81/1317886481.db2.gz VYYWVDDWOJTCPE-CYBMUJFWSA-N 1 0 345.439 3.447 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1F ZINC000810165465 1317966726 /nfs/dbraw/zinc/96/67/26/1317966726.db2.gz SXERKXLYPSGAEC-XLIONFOSSA-N 1 0 328.431 3.148 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c1 ZINC000810168578 1317967611 /nfs/dbraw/zinc/96/76/11/1317967611.db2.gz IVOMCDYAYBIBDN-UHFFFAOYSA-N 1 0 341.455 3.384 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810213035 1317977228 /nfs/dbraw/zinc/97/72/28/1317977228.db2.gz KKQPCDDSSYJJJV-ONGXEEELSA-N 1 0 331.256 3.375 20 10 EGCDRO CN(C)c1cc[nH+]c(CNC(=S)Nc2ccc3c(c2)CCC3)c1 ZINC000905618970 1317973621 /nfs/dbraw/zinc/97/36/21/1317973621.db2.gz RDUMTPCKCZUYGR-UHFFFAOYSA-N 1 0 326.469 3.123 20 10 EGCDRO CC[C@H]([NH2+]C[C@@](C)(O)CCOC)c1ccc(C(F)(F)F)cc1O ZINC000810219275 1317978622 /nfs/dbraw/zinc/97/86/22/1317978622.db2.gz PGJZQVRGZXERLD-ZFWWWQNUSA-N 1 0 335.366 3.239 20 10 EGCDRO CC[C@H]([NH2+]CCc1cncn1C)c1ccc(C(F)(F)F)cc1O ZINC000810238090 1317984496 /nfs/dbraw/zinc/98/44/96/1317984496.db2.gz YAJFNCUDDVMWGL-AWEZNQCLSA-N 1 0 327.350 3.428 20 10 EGCDRO O=C(NC1CCCC1)OC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000811510381 1318188489 /nfs/dbraw/zinc/18/84/89/1318188489.db2.gz DLXREXWRIAMIKZ-QGZVFWFLSA-N 1 0 332.444 3.416 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCC1(F)F ZINC000811513420 1318193100 /nfs/dbraw/zinc/19/31/00/1318193100.db2.gz YZCDAWTWVMYEQC-ZDUSSCGKSA-N 1 0 328.378 3.139 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cn3cc(C)ccc3n2)c1O ZINC000811633800 1318215230 /nfs/dbraw/zinc/21/52/30/1318215230.db2.gz UAEPYJZIYNIVPT-UHFFFAOYSA-N 1 0 331.803 3.300 20 10 EGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(CCC)Cc1ccccc1O ZINC000812454948 1318395933 /nfs/dbraw/zinc/39/59/33/1318395933.db2.gz DFOFXFUPYXYULF-INIZCTEOSA-N 1 0 335.492 3.434 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000812739879 1318446410 /nfs/dbraw/zinc/44/64/10/1318446410.db2.gz HAXBFCFRABFQRB-ZIAGYGMSSA-N 1 0 328.387 3.296 20 10 EGCDRO Cc1cc(O)c(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1C ZINC000812779245 1318452536 /nfs/dbraw/zinc/45/25/36/1318452536.db2.gz ZSGVGJBHKVEFDE-IBGZPJMESA-N 1 0 326.440 3.188 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000813878580 1318650129 /nfs/dbraw/zinc/65/01/29/1318650129.db2.gz CFRVGODLQWEMKP-RDBSUJKOSA-N 1 0 338.423 3.390 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CCCCC3)C2)cc1C ZINC001021787927 1318683499 /nfs/dbraw/zinc/68/34/99/1318683499.db2.gz KVUHNOBCOUIWGD-HDICACEKSA-N 1 0 330.472 3.321 20 10 EGCDRO Cc1nc(CN2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)cs1 ZINC000815011534 1318865726 /nfs/dbraw/zinc/86/57/26/1318865726.db2.gz PZDFAHHINYWNSP-UHFFFAOYSA-N 1 0 344.528 3.144 20 10 EGCDRO Cc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)ccc1N(C)C ZINC000815014103 1318866010 /nfs/dbraw/zinc/86/60/10/1318866010.db2.gz WDZVACXNIFOKPR-UHFFFAOYSA-N 1 0 326.440 3.464 20 10 EGCDRO Cc1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)ccc1N(C)C ZINC000815010409 1318866734 /nfs/dbraw/zinc/86/67/34/1318866734.db2.gz VZIXAWKKAQAPPP-UHFFFAOYSA-N 1 0 325.456 3.089 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)ccc1N(C)C ZINC000815046624 1318873378 /nfs/dbraw/zinc/87/33/78/1318873378.db2.gz ABFMQSZYXQOYCU-GOSISDBHSA-N 1 0 329.488 3.038 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(Br)c2)c1 ZINC000815083403 1318886556 /nfs/dbraw/zinc/88/65/56/1318886556.db2.gz WQRGSQBMVFSTCS-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H](O)COCc2ccccc2)c1O ZINC000858595410 1328805137 /nfs/dbraw/zinc/80/51/37/1328805137.db2.gz POFDGJAFIGGINQ-DOTOQJQBSA-N 1 0 345.439 3.019 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@H](C)C3)C2)cc1C ZINC001022803843 1319116036 /nfs/dbraw/zinc/11/60/36/1319116036.db2.gz LGESKISWFMBBFH-XDKFSHSGSA-N 1 0 330.472 3.177 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H](CC)CN1C(C)=O ZINC000816515614 1319170467 /nfs/dbraw/zinc/17/04/67/1319170467.db2.gz FOSALRYRARJEMM-UONOGXRCSA-N 1 0 342.842 3.406 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1O ZINC000816639588 1319198106 /nfs/dbraw/zinc/19/81/06/1319198106.db2.gz XPQGUEKNYKTJDV-SNVBAGLBSA-N 1 0 337.217 3.415 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1O ZINC000816641560 1319198297 /nfs/dbraw/zinc/19/82/97/1319198297.db2.gz WZKWYVXSTNFMLV-INIZCTEOSA-N 1 0 342.277 3.494 20 10 EGCDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000816662224 1319202670 /nfs/dbraw/zinc/20/26/70/1319202670.db2.gz KOUQTIVZOXXIFW-MRXNPFEDSA-N 1 0 342.277 3.385 20 10 EGCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000817413859 1319353356 /nfs/dbraw/zinc/35/33/56/1319353356.db2.gz BMQPVAQTZDDNPO-QAPCUYQASA-N 1 0 327.424 3.316 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccncc1Cl ZINC000817573320 1319399257 /nfs/dbraw/zinc/39/92/57/1319399257.db2.gz CBHNTDJRZNNHSB-CQSZACIVSA-N 1 0 331.847 3.422 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2ccnc2)cc1 ZINC000817938343 1319467371 /nfs/dbraw/zinc/46/73/71/1319467371.db2.gz JDSCMJYPTBNJSW-IIBYNOLFSA-N 1 0 349.482 3.289 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000817941558 1319470179 /nfs/dbraw/zinc/47/01/79/1319470179.db2.gz KOWHVWMGBKNAOV-MSOLQXFVSA-N 1 0 331.410 3.308 20 10 EGCDRO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817954763 1319475537 /nfs/dbraw/zinc/47/55/37/1319475537.db2.gz IWVNDJMYEKIELK-NXEZZACHSA-N 1 0 347.684 3.458 20 10 EGCDRO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817956739 1319476957 /nfs/dbraw/zinc/47/69/57/1319476957.db2.gz BOQSGNRMEUWAEP-FQEVSTJZSA-N 1 0 335.455 3.132 20 10 EGCDRO COC(=O)c1ccc(O)c([C@@H](C)NCC[NH2+]C2CCCCCC2)c1 ZINC000817960824 1319478070 /nfs/dbraw/zinc/47/80/70/1319478070.db2.gz RFCBJAXZZKSWIK-CQSZACIVSA-N 1 0 334.460 3.142 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000817972200 1319481283 /nfs/dbraw/zinc/48/12/83/1319481283.db2.gz VDHABPBGGRXHBW-KXUCPTDWSA-N 1 0 331.229 3.085 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)cc(F)c1[O-] ZINC000817976571 1319484049 /nfs/dbraw/zinc/48/40/49/1319484049.db2.gz NUFVIWOQMOUTNW-ZANVPECISA-N 1 0 343.240 3.087 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(Br)c(F)cc1[O-] ZINC000817981238 1319485319 /nfs/dbraw/zinc/48/53/19/1319485319.db2.gz HTZXIJHTDPIETH-IVZWLZJFSA-N 1 0 331.229 3.072 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(Br)c(F)cc1[O-] ZINC000817981237 1319485393 /nfs/dbraw/zinc/48/53/93/1319485393.db2.gz HTZXIJHTDPIETH-GUBZILKMSA-N 1 0 331.229 3.072 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(OC)c3)C2)cc1 ZINC000818220435 1319521901 /nfs/dbraw/zinc/52/19/01/1319521901.db2.gz KGKSCZVGHQZAKN-QGZVFWFLSA-N 1 0 326.440 3.320 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000818341542 1319530264 /nfs/dbraw/zinc/53/02/64/1319530264.db2.gz AGTTVBZVOUCEPS-VQIMIIECSA-N 1 0 330.472 3.070 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000818342705 1319530717 /nfs/dbraw/zinc/53/07/17/1319530717.db2.gz USIQAJOSXVZQAX-YLJYHZDGSA-N 1 0 344.499 3.460 20 10 EGCDRO CC[N@@H+](Cc1cc(C)cc(OC)c1O)C[C@@H]1COc2ccccc2O1 ZINC000915824710 1319542668 /nfs/dbraw/zinc/54/26/68/1319542668.db2.gz HFWIRMVXFUOPQV-MRXNPFEDSA-N 1 0 343.423 3.371 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000915917331 1319560068 /nfs/dbraw/zinc/56/00/68/1319560068.db2.gz QYZHBZLTMMXGGK-UHFFFAOYSA-N 1 0 333.476 3.188 20 10 EGCDRO Cc1cc(C[NH3+])cc(NC(=O)NCCCSc2nccs2)c1 ZINC000818634992 1319572729 /nfs/dbraw/zinc/57/27/29/1319572729.db2.gz XGJKEHSPYUSMGN-UHFFFAOYSA-N 1 0 336.486 3.214 20 10 EGCDRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000818953877 1319587204 /nfs/dbraw/zinc/58/72/04/1319587204.db2.gz OEPVFTWRGMMULW-HXUWFJFHSA-N 1 0 340.467 3.125 20 10 EGCDRO CC1CCN(c2ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc2)CC1 ZINC000819039554 1319620552 /nfs/dbraw/zinc/62/05/52/1319620552.db2.gz RKKNILWKACIYNR-MRXNPFEDSA-N 1 0 330.394 3.326 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC=CCC3)C2)cc1C ZINC000961544679 1319644791 /nfs/dbraw/zinc/64/47/91/1319644791.db2.gz JHZMXAPXYKVTEY-JLAWEPINSA-N 1 0 342.483 3.344 20 10 EGCDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000916838247 1319712946 /nfs/dbraw/zinc/71/29/46/1319712946.db2.gz FYRJXZMSGQAPLV-LJQANCHMSA-N 1 0 346.475 3.015 20 10 EGCDRO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000819900587 1319797244 /nfs/dbraw/zinc/79/72/44/1319797244.db2.gz FHMKXZIHEUXMOB-LJQANCHMSA-N 1 0 338.451 3.072 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1OC ZINC000819902036 1319797349 /nfs/dbraw/zinc/79/73/49/1319797349.db2.gz LVAAJXBVLJFZCW-IBGZPJMESA-N 1 0 347.455 3.191 20 10 EGCDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000918696893 1319990172 /nfs/dbraw/zinc/99/01/72/1319990172.db2.gz GQTRXEGBEYDYAK-GOSISDBHSA-N 1 0 339.483 3.474 20 10 EGCDRO Cc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c(C)n1-c1ccccc1C ZINC000918700642 1319991330 /nfs/dbraw/zinc/99/13/30/1319991330.db2.gz GPUQATCRDKOZNC-HXUWFJFHSA-N 1 0 339.483 3.473 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000824195307 1320236869 /nfs/dbraw/zinc/23/68/69/1320236869.db2.gz ARNSABRNSUIZBO-AWEZNQCLSA-N 1 0 332.469 3.007 20 10 EGCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824926541 1320296569 /nfs/dbraw/zinc/29/65/69/1320296569.db2.gz FUOCDGWJZLVCDB-CQSZACIVSA-N 1 0 328.250 3.402 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCCc3ccccc3CC2)cc1OC ZINC000824982443 1320301790 /nfs/dbraw/zinc/30/17/90/1320301790.db2.gz FVWINARDOHUAGV-UHFFFAOYSA-N 1 0 327.424 3.400 20 10 EGCDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000825098280 1320309433 /nfs/dbraw/zinc/30/94/33/1320309433.db2.gz FUZNQZUYPHJTOJ-BMIGLBTASA-N 1 0 328.250 3.366 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000825145094 1320314420 /nfs/dbraw/zinc/31/44/20/1320314420.db2.gz VIPQHKMAINDRHC-GFCCVEGCSA-N 1 0 328.250 3.369 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1Cl ZINC000825265948 1320322763 /nfs/dbraw/zinc/32/27/63/1320322763.db2.gz GQISSBUFHWCUFR-MRXNPFEDSA-N 1 0 338.879 3.087 20 10 EGCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(Br)cc1O ZINC000825396460 1320334577 /nfs/dbraw/zinc/33/45/77/1320334577.db2.gz ULJPLNVXLOTXLM-QMTHXVAHSA-N 1 0 340.217 3.350 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000826019319 1320378728 /nfs/dbraw/zinc/37/87/28/1320378728.db2.gz DMXDAVWBHQKTHO-UHFFFAOYSA-N 1 0 337.467 3.408 20 10 EGCDRO Cc1nnc(CN(C)Cc2ccc(OCc3ccccc3)cc2O)o1 ZINC000827039434 1320422239 /nfs/dbraw/zinc/42/22/39/1320422239.db2.gz UCHMHNNSZJERDK-UHFFFAOYSA-N 1 0 339.395 3.295 20 10 EGCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000827500432 1320456856 /nfs/dbraw/zinc/45/68/56/1320456856.db2.gz ANQUYVDKEFNWKP-CALCHBBNSA-N 1 0 341.407 3.012 20 10 EGCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827588495 1320460633 /nfs/dbraw/zinc/46/06/33/1320460633.db2.gz IKWWELKEKLMIPN-UHFFFAOYSA-N 1 0 343.515 3.428 20 10 EGCDRO O[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838793068 1320817031 /nfs/dbraw/zinc/81/70/31/1320817031.db2.gz GLTHKSNZHCUKOS-AWEZNQCLSA-N 1 0 339.277 3.006 20 10 EGCDRO C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000838917072 1320834019 /nfs/dbraw/zinc/83/40/19/1320834019.db2.gz ZAVJYGKLJRPZAP-HNNXBMFYSA-N 1 0 338.455 3.041 20 10 EGCDRO CC(C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838957412 1320842032 /nfs/dbraw/zinc/84/20/32/1320842032.db2.gz GITRTCCYKJZMEE-UHFFFAOYSA-N 1 0 341.293 3.300 20 10 EGCDRO CCOc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)ccc1O ZINC000839012076 1320850624 /nfs/dbraw/zinc/85/06/24/1320850624.db2.gz WWCXNDMDXPIRSC-UHFFFAOYSA-N 1 0 344.455 3.368 20 10 EGCDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000840166329 1321042364 /nfs/dbraw/zinc/04/23/64/1321042364.db2.gz IGGXEEZMPSIZEV-SGTLLEGYSA-N 1 0 331.387 3.020 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000840808756 1321153521 /nfs/dbraw/zinc/15/35/21/1321153521.db2.gz LPLHMQLAYAKPMC-HACGYAERSA-N 1 0 345.414 3.454 20 10 EGCDRO CCOc1cc(C[NH2+]Cc2ccccc2O)ccc1OC(=O)CC ZINC000840888916 1321170962 /nfs/dbraw/zinc/17/09/62/1321170962.db2.gz FDFRGJUEPGNXLU-UHFFFAOYSA-N 1 0 329.396 3.396 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000840892943 1321172074 /nfs/dbraw/zinc/17/20/74/1321172074.db2.gz FHRCZDBPBYAGLY-JKSUJKDBSA-N 1 0 326.488 3.486 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000840916005 1321176956 /nfs/dbraw/zinc/17/69/56/1321176956.db2.gz VLWHHNDIKIFBPJ-SFHVURJKSA-N 1 0 338.499 3.335 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000840918247 1321177787 /nfs/dbraw/zinc/17/77/87/1321177787.db2.gz YSAZCJAQIGTPSO-UHFFFAOYSA-N 1 0 325.447 3.222 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000840960955 1321187249 /nfs/dbraw/zinc/18/72/49/1321187249.db2.gz OTHQOVKTKMUBFF-SFHVURJKSA-N 1 0 341.455 3.271 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)ccc1OC ZINC000840962227 1321188348 /nfs/dbraw/zinc/18/83/48/1321188348.db2.gz HEBXKHRAVOOXRU-GOSISDBHSA-N 1 0 347.430 3.237 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000840972526 1321191192 /nfs/dbraw/zinc/19/11/92/1321191192.db2.gz PAJAJLVGUNBQEV-HXUWFJFHSA-N 1 0 341.451 3.321 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000840973267 1321191624 /nfs/dbraw/zinc/19/16/24/1321191624.db2.gz HKOCOIQVDLORIZ-SFHVURJKSA-N 1 0 329.488 3.038 20 10 EGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840977153 1321192711 /nfs/dbraw/zinc/19/27/11/1321192711.db2.gz SUBNHXXJMLBILE-CQSZACIVSA-N 1 0 330.428 3.161 20 10 EGCDRO Nc1ccc(CC[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC000841035056 1321205090 /nfs/dbraw/zinc/20/50/90/1321205090.db2.gz DWQNGNJIMXEVKT-UHFFFAOYSA-N 1 0 349.228 3.092 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc3c2OC(C)(C)C3)cc1 ZINC000841045379 1321208301 /nfs/dbraw/zinc/20/83/01/1321208301.db2.gz KMAWOZCIUSESTG-LJQANCHMSA-N 1 0 339.483 3.256 20 10 EGCDRO CCCOc1cccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841044328 1321208435 /nfs/dbraw/zinc/20/84/35/1321208435.db2.gz WCEJKWAGQMJLPY-HXUWFJFHSA-N 1 0 327.472 3.331 20 10 EGCDRO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)c2ccccc2C[NH2+]1 ZINC000841089617 1321216736 /nfs/dbraw/zinc/21/67/36/1321216736.db2.gz OZSMCSXWFQIXEU-KRWDZBQOSA-N 1 0 337.467 3.022 20 10 EGCDRO O=C(NCCCSc1nccs1)Nc1cccc2c1CC[NH2+]C2 ZINC000841309411 1321252208 /nfs/dbraw/zinc/25/22/08/1321252208.db2.gz WIIXXDJRXQWDDT-UHFFFAOYSA-N 1 0 348.497 3.093 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Cl)cc1O ZINC000841748224 1321306295 /nfs/dbraw/zinc/30/62/95/1321306295.db2.gz JLMKKZGDFNDRSR-DYVFJYSZSA-N 1 0 344.842 3.497 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Cl)cc1O ZINC000841760559 1321308150 /nfs/dbraw/zinc/30/81/50/1321308150.db2.gz SNCZXHYVJNSDMU-SWLSCSKDSA-N 1 0 336.863 3.487 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841973604 1321332697 /nfs/dbraw/zinc/33/26/97/1321332697.db2.gz WXPAKYPUSZHFLH-HXUWFJFHSA-N 1 0 346.519 3.062 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841997287 1321334021 /nfs/dbraw/zinc/33/40/21/1321334021.db2.gz QHRVNVAAFFRSGV-WKILWMFISA-N 1 0 333.476 3.079 20 10 EGCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843045908 1321461191 /nfs/dbraw/zinc/46/11/91/1321461191.db2.gz LSGRQRFJMJHFCU-WBVHZDCISA-N 1 0 346.475 3.287 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000843046295 1321461304 /nfs/dbraw/zinc/46/13/04/1321461304.db2.gz QZTRXAGVSWBJQY-BXUZGUMPSA-N 1 0 327.266 3.165 20 10 EGCDRO COCCOc1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843057900 1321464290 /nfs/dbraw/zinc/46/42/90/1321464290.db2.gz XFWZFMGGJRNFSG-UHFFFAOYSA-N 1 0 326.440 3.123 20 10 EGCDRO COc1cccc(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1O ZINC000843114484 1321472455 /nfs/dbraw/zinc/47/24/55/1321472455.db2.gz KBFWZWOGEXYKTE-MRXNPFEDSA-N 1 0 332.831 3.201 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125938 1321474375 /nfs/dbraw/zinc/47/43/75/1321474375.db2.gz DAAGTQYIECTSOP-STQMWFEESA-N 1 0 326.843 3.396 20 10 EGCDRO C[NH2+][C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000843344687 1321502865 /nfs/dbraw/zinc/50/28/65/1321502865.db2.gz QPUZIEGUPZPLTK-SFHVURJKSA-N 1 0 337.427 3.334 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000843349728 1321503404 /nfs/dbraw/zinc/50/34/04/1321503404.db2.gz JVNZLJNUAJQTAK-FXAWDEMLSA-N 1 0 341.499 3.079 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@@H]1CCCN(c2ccccc2)C1=O ZINC000843349807 1321503477 /nfs/dbraw/zinc/50/34/77/1321503477.db2.gz DHWGJDRIECCJAO-HXUWFJFHSA-N 1 0 335.451 3.094 20 10 EGCDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350782 1321504059 /nfs/dbraw/zinc/50/40/59/1321504059.db2.gz YQFMPJPSAHWLFU-CRAIPNDOSA-N 1 0 329.488 3.078 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843387836 1321509777 /nfs/dbraw/zinc/50/97/77/1321509777.db2.gz JBZUFSYKWKPSOK-ZIAGYGMSSA-N 1 0 336.863 3.070 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)CCNC(C)=O)cc1 ZINC000843427138 1321517838 /nfs/dbraw/zinc/51/78/38/1321517838.db2.gz JAJOTMUOLDTHDP-UHFFFAOYSA-N 1 0 339.483 3.281 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)C3(C[NH3+])CCC3)c2C)cc1 ZINC000843485458 1321522170 /nfs/dbraw/zinc/52/21/70/1321522170.db2.gz RCILWTPBWKWNAI-UHFFFAOYSA-N 1 0 341.455 3.056 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C1CC1 ZINC000844761913 1321644530 /nfs/dbraw/zinc/64/45/30/1321644530.db2.gz UHWJHIGVXXAIRT-JKSUJKDBSA-N 1 0 347.455 3.026 20 10 EGCDRO CC[N@H+](CCCNC(=O)NCc1ccccc1O)C1CCCCC1 ZINC000844938828 1321660372 /nfs/dbraw/zinc/66/03/72/1321660372.db2.gz KXOUXRUYRIRBBT-UHFFFAOYSA-N 1 0 333.476 3.236 20 10 EGCDRO CCCC[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844938812 1321660427 /nfs/dbraw/zinc/66/04/27/1321660427.db2.gz AQIJGDUELZFNGL-UHFFFAOYSA-N 1 0 339.867 3.109 20 10 EGCDRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000845948981 1321758281 /nfs/dbraw/zinc/75/82/81/1321758281.db2.gz FBLHZTDABLEMRR-YVWKXTFCSA-N 1 0 343.515 3.447 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CCC([C@@H](C)CO)CC2)c1O ZINC000846058687 1321764865 /nfs/dbraw/zinc/76/48/65/1321764865.db2.gz RPPKUZZLADELRU-LBPRGKRZSA-N 1 0 342.277 3.304 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COc3c(cccc3OC)C2)c1O ZINC000846146462 1321771622 /nfs/dbraw/zinc/77/16/22/1321771622.db2.gz QTSQFKZJOCJYDV-TZMCWYRMSA-N 1 0 329.396 3.064 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)c1O ZINC000846155755 1321772424 /nfs/dbraw/zinc/77/24/24/1321772424.db2.gz XZUQIAJXQSXKSP-KGLIPLIRSA-N 1 0 329.396 3.282 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)c1O ZINC000846165902 1321772965 /nfs/dbraw/zinc/77/29/65/1321772965.db2.gz PGWHVQYHBPVIJF-GFCCVEGCSA-N 1 0 346.393 3.326 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000846170762 1321773778 /nfs/dbraw/zinc/77/37/78/1321773778.db2.gz ZOSYOWRIELJUBM-JCKWVBRZSA-N 1 0 328.412 3.367 20 10 EGCDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1=O ZINC000846208830 1321776096 /nfs/dbraw/zinc/77/60/96/1321776096.db2.gz MHHAMJJJXKNKIK-DLBZAZTESA-N 1 0 329.488 3.196 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000846206850 1321776193 /nfs/dbraw/zinc/77/61/93/1321776193.db2.gz USRZJAYKMNOBTJ-DLBZAZTESA-N 1 0 341.499 3.338 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000848565000 1321977273 /nfs/dbraw/zinc/97/72/73/1321977273.db2.gz KNXSKSXBJCKHJB-DLBZAZTESA-N 1 0 325.456 3.200 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1O ZINC000848885420 1322028505 /nfs/dbraw/zinc/02/85/05/1322028505.db2.gz JFDMBVGKOOVSPM-UHFFFAOYSA-N 1 0 331.485 3.119 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000848889188 1322029910 /nfs/dbraw/zinc/02/99/10/1322029910.db2.gz GJROJHGSTOJVFZ-MRXNPFEDSA-N 1 0 326.444 3.330 20 10 EGCDRO CCc1cccc(CNc2ccc(C[NH+]3CCN(C)CC3)cc2)c1O ZINC000848891944 1322031777 /nfs/dbraw/zinc/03/17/77/1322031777.db2.gz FZAZYEPQDIXCEL-UHFFFAOYSA-N 1 0 339.483 3.314 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1O ZINC000848895524 1322035012 /nfs/dbraw/zinc/03/50/12/1322035012.db2.gz WBEIYVLMGROGFG-IBGZPJMESA-N 1 0 338.451 3.408 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c1O ZINC000848915558 1322045056 /nfs/dbraw/zinc/04/50/56/1322045056.db2.gz XLYQQTFTNFEHBR-KURKYZTESA-N 1 0 343.471 3.438 20 10 EGCDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000848921001 1322046186 /nfs/dbraw/zinc/04/61/86/1322046186.db2.gz NRPYAKWMBJJDCQ-IBGZPJMESA-N 1 0 338.451 3.282 20 10 EGCDRO COc1cc(C[NH2+]CC[S@@](=O)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850138516 1322197835 /nfs/dbraw/zinc/19/78/35/1322197835.db2.gz IGIRBVWDOLTPHZ-HSZRJFAPSA-N 1 0 341.517 3.335 20 10 EGCDRO COc1cc(C[NH2+][C@H](CO)CC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850225410 1322210072 /nfs/dbraw/zinc/21/00/72/1322210072.db2.gz CVQRJRCDYIITSR-NSHDSACASA-N 1 0 335.366 3.101 20 10 EGCDRO Cc1cc(F)ccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405782 1322240894 /nfs/dbraw/zinc/24/08/94/1322240894.db2.gz DRCKZVHDXQDLQD-UHFFFAOYSA-N 1 0 328.431 3.385 20 10 EGCDRO COCc1csc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406733 1322240986 /nfs/dbraw/zinc/24/09/86/1322240986.db2.gz RNBYHTUFGZHZKT-UHFFFAOYSA-N 1 0 346.496 3.145 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CCCc2ccco2)c1O ZINC000850407677 1322241072 /nfs/dbraw/zinc/24/10/72/1322241072.db2.gz NIAJDLJEOVRWNK-UHFFFAOYSA-N 1 0 340.217 3.479 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000850418195 1322244354 /nfs/dbraw/zinc/24/43/54/1322244354.db2.gz APTTUQRIBPSWCD-CQSZACIVSA-N 1 0 341.329 3.031 20 10 EGCDRO CCCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000850555729 1322265731 /nfs/dbraw/zinc/26/57/31/1322265731.db2.gz PTEBXVSTFCJLBV-YPMHNXCESA-N 1 0 327.266 3.290 20 10 EGCDRO CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000921747691 1322390614 /nfs/dbraw/zinc/39/06/14/1322390614.db2.gz RBYCEQAFVYTCLS-FXAWDEMLSA-N 1 0 346.515 3.238 20 10 EGCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922225249 1322482052 /nfs/dbraw/zinc/48/20/52/1322482052.db2.gz AQIQQBYQDPOGLO-UHFFFAOYSA-N 1 0 325.408 3.017 20 10 EGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1c(O)cccc1Cl ZINC000922429603 1322527913 /nfs/dbraw/zinc/52/79/13/1322527913.db2.gz NMLKGUNWJXAJNE-UHFFFAOYSA-N 1 0 333.741 3.359 20 10 EGCDRO COc1ccnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000924791829 1323164539 /nfs/dbraw/zinc/16/45/39/1323164539.db2.gz BKAPVCHOCVLWAV-JKSUJKDBSA-N 1 0 341.455 3.339 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)cc1C ZINC001024176862 1323188926 /nfs/dbraw/zinc/18/89/26/1323188926.db2.gz GZMLNWQUQHABRP-QZTJIDSGSA-N 1 0 342.483 3.132 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C(C)(C)C)C[C@H]23)cc1C ZINC001026406399 1324779077 /nfs/dbraw/zinc/77/90/77/1324779077.db2.gz YXAUODJIXFRGKK-FGTMMUONSA-N 1 0 344.499 3.376 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853555672 1325123327 /nfs/dbraw/zinc/12/33/27/1325123327.db2.gz MYYVCJFHDCJPAZ-YJBOKZPZSA-N 1 0 344.499 3.353 20 10 EGCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[C@@H]4C)C3)C2)cc1C ZINC000963516956 1325287143 /nfs/dbraw/zinc/28/71/43/1325287143.db2.gz DECHOGNAFQIJFR-NQQBIPLMSA-N 1 0 342.483 3.177 20 10 EGCDRO CCOc1cncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000856767458 1325520964 /nfs/dbraw/zinc/52/09/64/1325520964.db2.gz PBAOVRKPCXMLRC-MRXNPFEDSA-N 1 0 341.455 3.168 20 10 EGCDRO COc1cc(CCC[NH2+]Cc2cc(C)ccc2O)cc(OC)c1O ZINC000856812638 1325531322 /nfs/dbraw/zinc/53/13/22/1325531322.db2.gz SUQFAWNJEFKDGQ-UHFFFAOYSA-N 1 0 331.412 3.146 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)Cc3ccccn3)C2)cc1 ZINC000926613960 1327635741 /nfs/dbraw/zinc/63/57/41/1327635741.db2.gz WLAPPTKTFJQHOI-DLBZAZTESA-N 1 0 325.456 3.137 20 10 EGCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862249539 1329471689 /nfs/dbraw/zinc/47/16/89/1329471689.db2.gz SULSDGXMIQWYIY-ZDUSSCGKSA-N 1 0 341.293 3.318 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000862359657 1329477871 /nfs/dbraw/zinc/47/78/71/1329477871.db2.gz PKYAFOORRVQWJM-OAHLLOKOSA-N 1 0 326.234 3.157 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000862228289 1329468169 /nfs/dbraw/zinc/46/81/69/1329468169.db2.gz QALCDNPLBODFLK-LLVKDONJSA-N 1 0 336.233 3.257 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000862228291 1329468273 /nfs/dbraw/zinc/46/82/73/1329468273.db2.gz QALCDNPLBODFLK-NSHDSACASA-N 1 0 336.233 3.257 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1F ZINC000862322569 1329474986 /nfs/dbraw/zinc/47/49/86/1329474986.db2.gz NPJDTFVZLSDVQY-AWEZNQCLSA-N 1 0 340.414 3.006 20 10 EGCDRO CN(Cc1cnc2ccccc2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000862326218 1329475626 /nfs/dbraw/zinc/47/56/26/1329475626.db2.gz KKQALVCPMBHMHQ-UHFFFAOYSA-N 1 0 336.439 3.207 20 10 EGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(O)cccc1Br ZINC000862365292 1329478520 /nfs/dbraw/zinc/47/85/20/1329478520.db2.gz ONDVBZIHRQARQU-CHWSQXEVSA-N 1 0 339.277 3.213 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000862387385 1329480982 /nfs/dbraw/zinc/48/09/82/1329480982.db2.gz KNSCJKSDGHFPST-ZDUSSCGKSA-N 1 0 328.275 3.482 20 10 EGCDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2c(O)cccc2Br)C1 ZINC000862390155 1329481565 /nfs/dbraw/zinc/48/15/65/1329481565.db2.gz BJNCFOJAVDGWDU-LBPRGKRZSA-N 1 0 327.266 3.069 20 10 EGCDRO CCOc1ccc(C[N@H+](CC)CCNC(=O)OC(C)(C)C)c(O)c1 ZINC000862468276 1329489170 /nfs/dbraw/zinc/48/91/70/1329489170.db2.gz DRFDSFNFLWSMJS-UHFFFAOYSA-N 1 0 338.448 3.138 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)c1 ZINC000862479042 1329489557 /nfs/dbraw/zinc/48/95/57/1329489557.db2.gz ZVOXIRBZVDVASL-UHFFFAOYSA-N 1 0 334.460 3.484 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1(C)COC1 ZINC000862477885 1329489781 /nfs/dbraw/zinc/48/97/81/1329489781.db2.gz TVIVJGDWNCHAJS-UHFFFAOYSA-N 1 0 333.432 3.053 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)CC3(C)OCCO3)CC2)cc1 ZINC000865672390 1329727988 /nfs/dbraw/zinc/72/79/88/1329727988.db2.gz JDWADOLIDOFQDI-MRXNPFEDSA-N 1 0 348.487 3.043 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)Cc3cccnc3)cc2)CC1 ZINC000934228649 1329957204 /nfs/dbraw/zinc/95/72/04/1329957204.db2.gz CAVMYMONYASYDK-QGZVFWFLSA-N 1 0 339.483 3.418 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1O ZINC000866642144 1330137030 /nfs/dbraw/zinc/13/70/30/1330137030.db2.gz DHZVTLNQFWRWBP-GFCCVEGCSA-N 1 0 328.412 3.231 20 10 EGCDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000868777189 1330341045 /nfs/dbraw/zinc/34/10/45/1330341045.db2.gz UMZIOUIYYNTGJB-CABCVRRESA-N 1 0 331.460 3.159 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)=C3CCCC3)C2)cc1C ZINC000968403389 1335921913 /nfs/dbraw/zinc/92/19/13/1335921913.db2.gz PHJNLMHPPQRHAX-QGZVFWFLSA-N 1 0 346.446 3.492 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3CC=CCC3)C2)cc1C ZINC000969604329 1336227468 /nfs/dbraw/zinc/22/74/68/1336227468.db2.gz WAGBBUOLMDJRSG-IEBWSBKVSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3sccc3C)C2)cc1C ZINC001018431915 1339614626 /nfs/dbraw/zinc/61/46/26/1339614626.db2.gz HIRMKEKWZMQVEF-INIZCTEOSA-N 1 0 344.480 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@H]2C=CCC2)cc1C ZINC001034854171 1342805268 /nfs/dbraw/zinc/80/52/68/1342805268.db2.gz QREGOGBDYDWLFS-PKOBYXMFSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2CC=CC2)cc1C ZINC001034888605 1342821359 /nfs/dbraw/zinc/82/13/59/1342821359.db2.gz FIVIQTHVLDRSNJ-GOSISDBHSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C(C)(F)F)cc1C ZINC001036926232 1343869604 /nfs/dbraw/zinc/86/96/04/1343869604.db2.gz VHOBRBUMZIKESZ-GJZGRUSLSA-N 1 0 340.414 3.033 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccco3)[C@H](C)C2)cc1C ZINC001044431844 1346328497 /nfs/dbraw/zinc/32/84/97/1346328497.db2.gz OQBXFNUAKBLIKI-WBVHZDCISA-N 1 0 342.439 3.380 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CC(C)C)C2)cc1C ZINC001047684234 1347328969 /nfs/dbraw/zinc/32/89/69/1347328969.db2.gz SQLQPOYYVDQKSM-SJLPKXTDSA-N 1 0 332.488 3.376 20 10 EGCDRO C/C=C(\C)C(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001047784772 1347370335 /nfs/dbraw/zinc/37/03/35/1347370335.db2.gz NEOUGZZEXMJCGB-AVIGNLCVSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C(C)(C)C)C2)cc1C ZINC001048034701 1347445386 /nfs/dbraw/zinc/44/53/86/1347445386.db2.gz CBSKVBGTXHTHTH-WBVHZDCISA-N 1 0 332.488 3.376 20 10 EGCDRO C/C=C(/C)C(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001048207744 1347494530 /nfs/dbraw/zinc/49/45/30/1347494530.db2.gz COZMWKJOXWKQFL-NCKXEGHVSA-N 1 0 330.472 3.154 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC3(C)CC3)C[C@@H]2C)cc1C ZINC001048322112 1347517990 /nfs/dbraw/zinc/51/79/90/1347517990.db2.gz OFLBJABTZHTLIK-WMZOPIPTSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccsc3)C[C@H]2C)cc1C ZINC001054366506 1349337173 /nfs/dbraw/zinc/33/71/73/1349337173.db2.gz MATYOKPJPIQSCV-PBHICJAKSA-N 1 0 344.480 3.315 20 10 EGCDRO CC(=O)C1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC001233109759 1376570584 /nfs/dbraw/zinc/57/05/84/1376570584.db2.gz CPEUXUOKCNFMEV-UHFFFAOYSA-N 1 0 326.234 3.264 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1O ZINC001233108401 1376570903 /nfs/dbraw/zinc/57/09/03/1376570903.db2.gz MCNCXZPXWNGASS-DOMZBBRYSA-N 1 0 340.261 3.464 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC3CC3)CC[C@@H]2C)cc1C ZINC001072157363 1355157681 /nfs/dbraw/zinc/15/76/81/1355157681.db2.gz SRCDNSLUHSXXNH-HNAYVOBHSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)C3CCC3)C23CCC3)cc1C ZINC001078526686 1356994892 /nfs/dbraw/zinc/99/48/92/1356994892.db2.gz SLMQNZIWGRVERT-MOPGFXCFSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccccc3)C2)cc1C ZINC001090903096 1360949714 /nfs/dbraw/zinc/94/97/14/1360949714.db2.gz DHTGRSWOUIKZHG-UHFFFAOYSA-N 1 0 338.451 3.302 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C3CC3)C[C@H]2C)cc1C ZINC001093696629 1361678748 /nfs/dbraw/zinc/67/87/48/1361678748.db2.gz GWBFYAYWAMEFKM-JTDSTZFVSA-N 1 0 344.499 3.234 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001325316775 1387933421 /nfs/dbraw/zinc/93/34/21/1387933421.db2.gz UWQVYENKGTUBER-XJKSGUPXSA-N 1 0 345.464 3.442 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001203315224 1370078953 /nfs/dbraw/zinc/07/89/53/1370078953.db2.gz WBVYAUMXHNRXTC-UHFFFAOYSA-N 1 0 326.440 3.034 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCCCS(C)(=O)=O ZINC001325785433 1388045631 /nfs/dbraw/zinc/04/56/31/1388045631.db2.gz IBWLDDRXAXMZFE-ZIAGYGMSSA-N 1 0 325.474 3.053 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203550518 1370165726 /nfs/dbraw/zinc/16/57/26/1370165726.db2.gz WUPAGOKJCSJVMP-ZBFHGGJFSA-N 1 0 332.444 3.224 20 10 EGCDRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccccc4O)C3)CC2=O)cc1 ZINC001203555830 1370168485 /nfs/dbraw/zinc/16/84/85/1370168485.db2.gz HBCMTAAPRNGWRI-NRFANRHFSA-N 1 0 336.435 3.330 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2cncc(Br)c2)c1O ZINC001203588999 1370180441 /nfs/dbraw/zinc/18/04/41/1370180441.db2.gz AMWLRJZPNSEMES-UHFFFAOYSA-N 1 0 337.217 3.190 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)c1O ZINC001203596567 1370182861 /nfs/dbraw/zinc/18/28/61/1370182861.db2.gz IYKTVMVTFHJIDQ-UHFFFAOYSA-N 1 0 347.411 3.059 20 10 EGCDRO COc1cccc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3)CC2)c1O ZINC001203602204 1370184148 /nfs/dbraw/zinc/18/41/48/1370184148.db2.gz IIOKSOSSWAYMSM-HNNXBMFYSA-N 1 0 344.430 3.419 20 10 EGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cccc(OCC)c2O)C[C@@H]1C ZINC001203617350 1370189504 /nfs/dbraw/zinc/18/95/04/1370189504.db2.gz ONHSVQDIZJQKCM-GJZGRUSLSA-N 1 0 335.444 3.202 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ncccc2C(F)(F)F)c(O)c1 ZINC001203621295 1370190261 /nfs/dbraw/zinc/19/02/61/1370190261.db2.gz RTTMORCUFSQJHR-UHFFFAOYSA-N 1 0 326.318 3.447 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3OC)C2)c(O)c1 ZINC001203630801 1370194188 /nfs/dbraw/zinc/19/41/88/1370194188.db2.gz WDMNJNYAGKOFOQ-MRXNPFEDSA-N 1 0 329.396 3.063 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN([C@H](C)c3ccc(F)cc3)CC2)c1 ZINC001203684154 1370216884 /nfs/dbraw/zinc/21/68/84/1370216884.db2.gz NSBRIZCSYATQJD-OAHLLOKOSA-N 1 0 344.430 3.419 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c1 ZINC001203684565 1370217019 /nfs/dbraw/zinc/21/70/19/1370217019.db2.gz ZHEWYPBBRBLWQB-KRWDZBQOSA-N 1 0 328.412 3.148 20 10 EGCDRO Oc1ccc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1O ZINC001203879081 1370297658 /nfs/dbraw/zinc/29/76/58/1370297658.db2.gz DZLRAKULGJUBPV-UHFFFAOYSA-N 1 0 338.451 3.121 20 10 EGCDRO Oc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1O ZINC001203882664 1370298323 /nfs/dbraw/zinc/29/83/23/1370298323.db2.gz PPVJHYIIZKGWDG-UHFFFAOYSA-N 1 0 332.831 3.069 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCC[C@]1(O)C(F)(F)F ZINC001203929462 1370317696 /nfs/dbraw/zinc/31/76/96/1370317696.db2.gz DDQMTAKQTSZKJB-CZUORRHYSA-N 1 0 330.394 3.278 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001203931871 1370319445 /nfs/dbraw/zinc/31/94/45/1370319445.db2.gz XPXPATDAOBPYAG-FQEVSTJZSA-N 1 0 345.487 3.338 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001203934645 1370321316 /nfs/dbraw/zinc/32/13/16/1370321316.db2.gz YIDCJKMFLRNHKK-QGZVFWFLSA-N 1 0 347.503 3.441 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCN(c3cnccn3)CC2)c2ccccc21 ZINC001204232874 1370416885 /nfs/dbraw/zinc/41/68/85/1370416885.db2.gz LBBGNRAUDMCVBO-UHFFFAOYSA-N 1 0 347.466 3.018 20 10 EGCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204239501 1370418908 /nfs/dbraw/zinc/41/89/08/1370418908.db2.gz XVHVCWYNRXTDMM-DYESRHJHSA-N 1 0 340.467 3.001 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204276998 1370429220 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C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CN(C)C(=O)O1 ZINC001117707040 1371066385 /nfs/dbraw/zinc/06/63/85/1371066385.db2.gz VOFWNNDAJDXSRC-YJBOKZPZSA-N 1 0 340.423 3.406 20 10 EGCDRO Cc1cc(O)c(CN2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206806227 1371174595 /nfs/dbraw/zinc/17/45/95/1371174595.db2.gz GICVWWZPKZHPKI-NWDGAFQWSA-N 1 0 327.266 3.022 20 10 EGCDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC001118801116 1371232484 /nfs/dbraw/zinc/23/24/84/1371232484.db2.gz MJDWTFYZUYYEJV-INIZCTEOSA-N 1 0 347.256 3.431 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)c(O)c1OC ZINC001119947571 1371429989 /nfs/dbraw/zinc/42/99/89/1371429989.db2.gz VOKBZFYBSKKYKO-ZDUSSCGKSA-N 1 0 329.396 3.065 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC001209225537 1372043042 /nfs/dbraw/zinc/04/30/42/1372043042.db2.gz GMWUMMGUVZHBOP-UHFFFAOYSA-N 1 0 346.496 3.138 20 10 EGCDRO COc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)c(C)c1 ZINC001209299926 1372063549 /nfs/dbraw/zinc/06/35/49/1372063549.db2.gz LAQAZNGZDZYNMY-UHFFFAOYSA-N 1 0 326.440 3.205 20 10 EGCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001209404505 1372095561 /nfs/dbraw/zinc/09/55/61/1372095561.db2.gz SXFMGQXGAMFQCO-BCDXTJNWSA-N 1 0 332.488 3.411 20 10 EGCDRO O=C(c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1)N1CCCC1 ZINC001209677701 1372167874 /nfs/dbraw/zinc/16/78/74/1372167874.db2.gz MUPJSYOIXUEKCP-UHFFFAOYSA-N 1 0 336.435 3.187 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc([C@H]3C[C@H]3C)o2)cc1C ZINC001127107987 1373087113 /nfs/dbraw/zinc/08/71/13/1373087113.db2.gz WROOYWDPRPPIOA-CJNGLKHVSA-N 1 0 342.439 3.240 20 10 EGCDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001217987217 1373527314 /nfs/dbraw/zinc/52/73/14/1373527314.db2.gz MHRFPOZLCCIRCW-CXAGYDPISA-N 1 0 341.407 3.096 20 10 EGCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)ccc21 ZINC001218093054 1373558926 /nfs/dbraw/zinc/55/89/26/1373558926.db2.gz JUEVKSKBPSCQTC-KNQAVFIVSA-N 1 0 347.414 3.373 20 10 EGCDRO c1ccc(CO[C@H]2C[C@H](Oc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001218470642 1373619988 /nfs/dbraw/zinc/61/99/88/1373619988.db2.gz XHLPBDLRDCIHMT-MEMLXQNLSA-N 1 0 338.451 3.223 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCCC2(F)F)cc1C ZINC001131809869 1373817001 /nfs/dbraw/zinc/81/70/01/1373817001.db2.gz JZEOSRKLXGBEKE-HNNXBMFYSA-N 1 0 340.414 3.035 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385035 1373831719 /nfs/dbraw/zinc/83/17/19/1373831719.db2.gz DFUPAGWJPBNPAB-INIZCTEOSA-N 1 0 339.277 3.263 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc3ncccc3c2)cc1C ZINC001133265058 1375880073 /nfs/dbraw/zinc/88/00/73/1375880073.db2.gz PRZVWZNRUUQMEJ-UHFFFAOYSA-N 1 0 349.434 3.071 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CC(C2COC2)C1 ZINC001231466210 1376247445 /nfs/dbraw/zinc/24/74/45/1376247445.db2.gz OXEDKCIDWYYFEJ-UHFFFAOYSA-N 1 0 325.408 3.049 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cncs2)cc1C ZINC001133879557 1376247568 /nfs/dbraw/zinc/24/75/68/1376247568.db2.gz COADRCSYEJRTGU-KGLIPLIRSA-N 1 0 347.484 3.147 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1O ZINC001231593081 1376273629 /nfs/dbraw/zinc/27/36/29/1376273629.db2.gz MUIPAVDFGNNFPN-JKSUJKDBSA-N 1 0 328.437 3.142 20 10 EGCDRO Cc1cccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c1O ZINC001231593023 1376274417 /nfs/dbraw/zinc/27/44/17/1376274417.db2.gz RYBFIDJVKQYIFU-GOSISDBHSA-N 1 0 331.456 3.251 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)c(O)cc1O ZINC001231636279 1376287075 /nfs/dbraw/zinc/28/70/75/1376287075.db2.gz RJIRPTBFQOLONM-KRWDZBQOSA-N 1 0 343.423 3.458 20 10 EGCDRO COc1cccc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC001231871289 1376332876 /nfs/dbraw/zinc/33/28/76/1376332876.db2.gz IWUGZEUQFDDOTI-AWEZNQCLSA-N 1 0 348.830 3.411 20 10 EGCDRO C[C@H]1CN(Cc2cc(Cl)c(O)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001232262243 1376425530 /nfs/dbraw/zinc/42/55/30/1376425530.db2.gz CWOKPDRAKYOOBK-AWEZNQCLSA-N 1 0 346.858 3.458 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1 ZINC001233284448 1376603129 /nfs/dbraw/zinc/60/31/29/1376603129.db2.gz VDULXXXMOGUTOY-OCCSQVGLSA-N 1 0 331.378 3.292 20 10 EGCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)CC[C@@H]21 ZINC001233287231 1376604543 /nfs/dbraw/zinc/60/45/43/1376604543.db2.gz CSMDIIGNVVGDBJ-YOEHRIQHSA-N 1 0 330.472 3.132 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c1O ZINC001233290091 1376605451 /nfs/dbraw/zinc/60/54/51/1376605451.db2.gz ICCJDGYSVXMEJC-ZDUSSCGKSA-N 1 0 329.799 3.147 20 10 EGCDRO COC(=O)c1cccc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2O)c1 ZINC001233290464 1376606736 /nfs/dbraw/zinc/60/67/36/1376606736.db2.gz DHPIAAFEBVOSSS-UHFFFAOYSA-N 1 0 349.814 3.473 20 10 EGCDRO Oc1ccc(F)c(F)c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001233334968 1376618123 /nfs/dbraw/zinc/61/81/23/1376618123.db2.gz BRPASQIPPVZNQZ-MAUKXSAKSA-N 1 0 344.405 3.377 20 10 EGCDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(O)c(O)cc1O ZINC001233487535 1376653322 /nfs/dbraw/zinc/65/33/22/1376653322.db2.gz HWDLDHDCUUNWBG-UHFFFAOYSA-N 1 0 343.301 3.334 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@@]1(C)O ZINC001233726406 1376703127 /nfs/dbraw/zinc/70/31/27/1376703127.db2.gz CXYLUCNKUQDFPT-IAQYHMDHSA-N 1 0 333.350 3.274 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2scnc2C(C)C)cc1C ZINC001134990264 1376831309 /nfs/dbraw/zinc/83/13/09/1376831309.db2.gz SIHRMHCPBZWWCG-UHFFFAOYSA-N 1 0 347.484 3.103 20 10 EGCDRO Oc1ccc(OCc2ccccc2)cc1CN1CCC[C@]12CC[NH2+]C2 ZINC001235112639 1376846855 /nfs/dbraw/zinc/84/68/55/1376846855.db2.gz YZTMMJRZLODNCM-OAQYLSRUSA-N 1 0 338.451 3.299 20 10 EGCDRO Cc1cc(Br)cc(CN2CCCC[C@@]23CC[NH2+]C3)c1O ZINC001235115449 1376847644 /nfs/dbraw/zinc/84/76/44/1376847644.db2.gz APKWSVQRDBBCSK-INIZCTEOSA-N 1 0 339.277 3.181 20 10 EGCDRO [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703646 1376885614 /nfs/dbraw/zinc/88/56/14/1376885614.db2.gz ZUJKEBQWMDWEQJ-UHFFFAOYSA-N 1 0 326.843 3.396 20 10 EGCDRO CCCC[C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)CC[NH2+]1 ZINC001236140348 1376935818 /nfs/dbraw/zinc/93/58/18/1376935818.db2.gz DTXFTQNCCRFIIY-CQSZACIVSA-N 1 0 346.393 3.297 20 10 EGCDRO Cc1cc(O)c(CN(C2CC2)[C@H]2CCC[NH2+]C2)cc1Br ZINC001236240379 1376944445 /nfs/dbraw/zinc/94/44/45/1376944445.db2.gz LCBHALHXLLBOBR-AWEZNQCLSA-N 1 0 339.277 3.180 20 10 EGCDRO Cc1cc(Br)cc(CN(C(C)C)[C@@H]2CC[NH2+]C2)c1O ZINC001236525282 1376955909 /nfs/dbraw/zinc/95/59/09/1376955909.db2.gz AXISBZYEJOPKPK-CQSZACIVSA-N 1 0 327.266 3.035 20 10 EGCDRO c1cc(N2CCOCC2)ccc1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653132 1376957882 /nfs/dbraw/zinc/95/78/82/1376957882.db2.gz ONVYHDPUGFKJPX-OAQYLSRUSA-N 1 0 343.515 3.020 20 10 EGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c(O)c1 ZINC001237051876 1376970890 /nfs/dbraw/zinc/97/08/90/1376970890.db2.gz RNMOSJPLNPRFDR-KRWDZBQOSA-N 1 0 327.428 3.349 20 10 EGCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001237052646 1376971580 /nfs/dbraw/zinc/97/15/80/1376971580.db2.gz BCIOAWSNVFEEND-UHFFFAOYSA-N 1 0 345.361 3.336 20 10 EGCDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c(O)c1 ZINC001237053514 1376972172 /nfs/dbraw/zinc/97/21/72/1376972172.db2.gz LZLWXUIWGZHAGJ-SFHVURJKSA-N 1 0 330.472 3.493 20 10 EGCDRO CC[NH+](CC)CCN(C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237052094 1376972347 /nfs/dbraw/zinc/97/23/47/1376972347.db2.gz TXDBVOLCCMGPMS-UHFFFAOYSA-N 1 0 334.382 3.107 20 10 EGCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001237053043 1376972457 /nfs/dbraw/zinc/97/24/57/1376972457.db2.gz FXJVTOOLAFHZDQ-NLWGTHIKSA-N 1 0 331.456 3.141 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001135260125 1377008612 /nfs/dbraw/zinc/00/86/12/1377008612.db2.gz WILMVPSFBFMVRW-LIEJCIORSA-N 1 0 344.499 3.423 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C(F)F)cc2)cc1C ZINC001135387936 1377067706 /nfs/dbraw/zinc/06/77/06/1377067706.db2.gz ZMHMRPNNNDPFGA-UHFFFAOYSA-N 1 0 348.393 3.461 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(CF)CC2)cc1C ZINC001135441400 1377099408 /nfs/dbraw/zinc/09/94/08/1377099408.db2.gz AHYIASYOMFFSCN-GJZGRUSLSA-N 1 0 336.451 3.126 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccccc3-n3cccn3)CC2)cc1 ZINC001137093767 1377477259 /nfs/dbraw/zinc/47/72/59/1377477259.db2.gz RVEMTJAPIRQDDO-UHFFFAOYSA-N 1 0 348.450 3.203 20 10 EGCDRO COC(=O)c1ccc(OC)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001137249566 1377504099 /nfs/dbraw/zinc/50/40/99/1377504099.db2.gz CRUSPFFYSBZMIS-UHFFFAOYSA-N 1 0 342.439 3.180 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c(C)n1-c1ccccc1 ZINC001137856058 1377631909 /nfs/dbraw/zinc/63/19/09/1377631909.db2.gz OVKBEABBIUOOCB-IOMROCGXSA-N 1 0 340.467 3.066 20 10 EGCDRO Cc1c(C[N@@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)c2ccccc2n1C ZINC001138253999 1377694030 /nfs/dbraw/zinc/69/40/30/1377694030.db2.gz NGCHYAGIWXEYDE-OAQYLSRUSA-N 1 0 345.446 3.499 20 10 EGCDRO Cc1c(C[N@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c2ccccc2n1C ZINC001138259303 1377694697 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COc1cc(CN2Cc3ccc(F)cc3C2)cc(C[NH+](C)C)c1O ZINC001139258579 1377858048 /nfs/dbraw/zinc/85/80/48/1377858048.db2.gz SZRYMOFEECRWCB-UHFFFAOYSA-N 1 0 330.403 3.117 20 10 EGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139673736 1377931757 /nfs/dbraw/zinc/93/17/57/1377931757.db2.gz WZNOSTRBRFDDRB-UHFFFAOYSA-N 1 0 338.451 3.406 20 10 EGCDRO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140056317 1377996810 /nfs/dbraw/zinc/99/68/10/1377996810.db2.gz QSVOLQFSALBBFC-INIZCTEOSA-N 1 0 343.398 3.487 20 10 EGCDRO Oc1cccc(Br)c1C[NH+]1CCC2(CCOC2)CC1 ZINC001140098652 1378007577 /nfs/dbraw/zinc/00/75/77/1378007577.db2.gz JRQMKBQRPCPLLN-UHFFFAOYSA-N 1 0 326.234 3.157 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1O ZINC001140178791 1378026403 /nfs/dbraw/zinc/02/64/03/1378026403.db2.gz XQNVBDXUXAKRCE-UHFFFAOYSA-N 1 0 346.471 3.498 20 10 EGCDRO C[C@H]1CN(Cc2c(O)cccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001140338153 1378048723 /nfs/dbraw/zinc/04/87/23/1378048723.db2.gz XNZWIGFOGXMDGN-LBPRGKRZSA-N 1 0 340.851 3.487 20 10 EGCDRO Oc1cccc(Cl)c1CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001140341530 1378049158 /nfs/dbraw/zinc/04/91/58/1378049158.db2.gz UFASEXALTFXZOX-UHFFFAOYSA-N 1 0 326.843 3.444 20 10 EGCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342638 1378049890 /nfs/dbraw/zinc/04/98/90/1378049890.db2.gz ROSBAGYYZVARAS-UHFFFAOYSA-N 1 0 339.867 3.061 20 10 EGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC001140342631 1378050246 /nfs/dbraw/zinc/05/02/46/1378050246.db2.gz RNAVRGFPEBHTGX-CYBMUJFWSA-N 1 0 333.819 3.187 20 10 EGCDRO COC(=O)c1ccc(C2C[NH+](Cc3ccc(Cl)cc3O)C2)cc1 ZINC001140464206 1378066777 /nfs/dbraw/zinc/06/67/77/1378066777.db2.gz GSHJAICRJUMMBD-UHFFFAOYSA-N 1 0 331.799 3.432 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466614 1378068996 /nfs/dbraw/zinc/06/89/96/1378068996.db2.gz IASLPYXCQXYSGC-LBPRGKRZSA-N 1 0 340.851 3.392 20 10 EGCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466455 1378069167 /nfs/dbraw/zinc/06/91/67/1378069167.db2.gz GGKOOWQEJFCWIT-CQSZACIVSA-N 1 0 340.851 3.487 20 10 EGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c([O-])cc(F)cc3F)C2)c1 ZINC001140585512 1378090408 /nfs/dbraw/zinc/09/04/08/1378090408.db2.gz LVMHJSLMMXMOCC-AWEZNQCLSA-N 1 0 334.366 3.417 20 10 EGCDRO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273284715 1378094499 /nfs/dbraw/zinc/09/44/99/1378094499.db2.gz KNTWJKWIROJQMF-XJKSGUPXSA-N 1 0 334.435 3.048 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c1 ZINC001140623394 1378100412 /nfs/dbraw/zinc/10/04/12/1378100412.db2.gz QGESCNNRYOSDAM-AZUAARDMSA-N 1 0 338.451 3.324 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c1 ZINC001140621660 1378100466 /nfs/dbraw/zinc/10/04/66/1378100466.db2.gz OHZHHVXHQVPNMO-KRWDZBQOSA-N 1 0 343.471 3.206 20 10 EGCDRO CCOC(=O)c1coc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC001140623974 1378100496 /nfs/dbraw/zinc/10/04/96/1378100496.db2.gz ZTERAGZEBFYCMA-UHFFFAOYSA-N 1 0 344.411 3.245 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1O ZINC001140745377 1378128416 /nfs/dbraw/zinc/12/84/16/1378128416.db2.gz HROGHCOJXWXHMX-UHFFFAOYSA-N 1 0 346.858 3.377 20 10 EGCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c1O ZINC001140748309 1378129030 /nfs/dbraw/zinc/12/90/30/1378129030.db2.gz JWTNMSVRYMBKMT-HHXXYDBFSA-N 1 0 331.456 3.433 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)c1O ZINC001140749006 1378129067 /nfs/dbraw/zinc/12/90/67/1378129067.db2.gz NYAMVAICDBORAH-IBGZPJMESA-N 1 0 331.387 3.293 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)c(O)c1 ZINC001140856363 1378159586 /nfs/dbraw/zinc/15/95/86/1378159586.db2.gz ZIILMYXLKCIZCB-INIZCTEOSA-N 1 0 330.432 3.267 20 10 EGCDRO Oc1cc2c(cc1O)CN(Cc1cnccc1C(F)(F)F)CCC2 ZINC001140919930 1378180692 /nfs/dbraw/zinc/18/06/92/1378180692.db2.gz HDGISZYTDOENQU-UHFFFAOYSA-N 1 0 338.329 3.460 20 10 EGCDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140947928 1378188092 /nfs/dbraw/zinc/18/80/92/1378188092.db2.gz LUNORFXFPPIGSL-GDBMZVCRSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001140947717 1378188095 /nfs/dbraw/zinc/18/80/95/1378188095.db2.gz CIAXCMZMCQHFHC-HOCLYGCPSA-N 1 0 332.444 3.142 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(O)c1 ZINC001140949371 1378188279 /nfs/dbraw/zinc/18/82/79/1378188279.db2.gz ACESFUYHYVURPU-JKSUJKDBSA-N 1 0 328.437 3.142 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140948045 1378188299 /nfs/dbraw/zinc/18/82/99/1378188299.db2.gz QKMYNZZRMRRECG-JKSUJKDBSA-N 1 0 332.444 3.284 20 10 EGCDRO COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140953737 1378191949 /nfs/dbraw/zinc/19/19/49/1378191949.db2.gz FRLKIKHTIOMQQH-INIZCTEOSA-N 1 0 328.412 3.148 20 10 EGCDRO F[C@H]1COC2(C1)CC[NH+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141078437 1378234146 /nfs/dbraw/zinc/23/41/46/1378234146.db2.gz VXESRISPHPWUDP-LJQANCHMSA-N 1 0 344.474 3.478 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](OCc4ccccc4)C3)ccc21 ZINC001141143351 1378248789 /nfs/dbraw/zinc/24/87/89/1378248789.db2.gz VTSNSRLMQDIRSX-LJQANCHMSA-N 1 0 338.451 3.306 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]3CC(=O)OC(C)(C)C)ccc21 ZINC001141144479 1378248827 /nfs/dbraw/zinc/24/88/27/1378248827.db2.gz FVUXBHGDLMMZIC-MRXNPFEDSA-N 1 0 346.471 3.211 20 10 EGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141142587 1378248973 /nfs/dbraw/zinc/24/89/73/1378248973.db2.gz TUDOTQMENBBYKS-XLIONFOSSA-N 1 0 330.472 3.154 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(O)c(OC)c(OC)c1 ZINC001141175680 1378260347 /nfs/dbraw/zinc/26/03/47/1378260347.db2.gz OGPJOHATHKAKLN-UHFFFAOYSA-N 1 0 344.455 3.498 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCN(c3nccs3)CC2)c1O ZINC001143103748 1378540730 /nfs/dbraw/zinc/54/07/30/1378540730.db2.gz JUQUBZIFEXXMRF-UHFFFAOYSA-N 1 0 331.485 3.468 20 10 EGCDRO Oc1cc(O)c(C[N@H+](Cc2ccccc2)Cc2ccccn2)c(O)c1 ZINC001144500156 1378738413 /nfs/dbraw/zinc/73/84/13/1378738413.db2.gz QCZDIELABFBPAE-UHFFFAOYSA-N 1 0 336.391 3.401 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)c(O)c1 ZINC001144515143 1378740030 /nfs/dbraw/zinc/74/00/30/1378740030.db2.gz FEKDWIZOXIDVFD-UHFFFAOYSA-N 1 0 339.313 3.381 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)CC(C)(C)C(F)(F)F)cc1C ZINC001149420428 1379380030 /nfs/dbraw/zinc/38/00/30/1379380030.db2.gz CQJYAPNANFRALC-UHFFFAOYSA-N 1 0 346.393 3.188 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)CC(C2CC2)C2CC2)cc1C ZINC001152571673 1379951234 /nfs/dbraw/zinc/95/12/34/1379951234.db2.gz WYBHAZAGCMZHSU-UHFFFAOYSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1cc(Cl)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156655766 1380605481 /nfs/dbraw/zinc/60/54/81/1380605481.db2.gz JKXZYNVZKQHTGZ-UHFFFAOYSA-N 1 0 346.862 3.108 20 10 EGCDRO CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157210138 1380810990 /nfs/dbraw/zinc/81/09/90/1380810990.db2.gz WXPCUXPLYRYIGD-CQSZACIVSA-N 1 0 347.463 3.335 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)C(F)(F)F)cc1C ZINC001165667077 1383321875 /nfs/dbraw/zinc/32/18/75/1383321875.db2.gz QWBVCSYUXKNCDH-CYBMUJFWSA-N 1 0 346.393 3.188 20 10 EGCDRO CC[C@@H]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001166045789 1383380534 /nfs/dbraw/zinc/38/05/34/1383380534.db2.gz CJDRPBUHRFPZDW-QZTJIDSGSA-N 1 0 332.488 3.426 20 10 EGCDRO c1cncc(-c2cccc3c2C2(CN3c3cnccn3)CC[NH2+]CC2)c1 ZINC001166126752 1383392701 /nfs/dbraw/zinc/39/27/01/1383392701.db2.gz ALKWTTSRDNSSIK-UHFFFAOYSA-N 1 0 343.434 3.312 20 10 EGCDRO CC[C@H](F)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001166618682 1383448277 /nfs/dbraw/zinc/44/82/77/1383448277.db2.gz TVQHLVVZCXMPRI-INIZCTEOSA-N 1 0 336.451 3.128 20 10 EGCDRO CCc1ncc(Cl)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426209 1383631259 /nfs/dbraw/zinc/63/12/59/1383631259.db2.gz BQUXVPVVUIIWHS-UHFFFAOYSA-N 1 0 345.878 3.056 20 10 EGCDRO C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CCO1 ZINC001168142889 1383827006 /nfs/dbraw/zinc/82/70/06/1383827006.db2.gz FXIFFNQWTLUQOJ-HIFRSBDPSA-N 1 0 344.377 3.275 20 10 EGCDRO Oc1c(CNc2cnc3c(c2)C[NH2+]CC3)cc(Cl)c2cccnc12 ZINC001168522147 1383929970 /nfs/dbraw/zinc/92/99/70/1383929970.db2.gz ADHMZPXVEYWREN-UHFFFAOYSA-N 1 0 340.814 3.247 20 10 EGCDRO CCOCC[C@@H](C)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001172421456 1384788297 /nfs/dbraw/zinc/78/82/97/1384788297.db2.gz XOWLHRQVVKRMLJ-JSNMRZPZSA-N 1 0 344.455 3.244 20 10 EGCDRO Cn1cc(N2CC[C@H]([NH2+]Cc3cc(-c4ccccc4)ccc3O)C2)cn1 ZINC001319950998 1386412604 /nfs/dbraw/zinc/41/26/04/1386412604.db2.gz HAPNOJMOFPCHPZ-IBGZPJMESA-N 1 0 348.450 3.161 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccc2ccccc2c1O ZINC001320420012 1386605329 /nfs/dbraw/zinc/60/53/29/1386605329.db2.gz JPAQODZQHRRKEW-MNOVXSKESA-N 1 0 340.345 3.263 20 10 EGCDRO C[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1cc(Cl)ccc1O ZINC001320878874 1386745532 /nfs/dbraw/zinc/74/55/32/1386745532.db2.gz CXQLIFWYTJYRLP-GXTWGEPZSA-N 1 0 327.852 3.121 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001336290620 1389060673 /nfs/dbraw/zinc/06/06/73/1389060673.db2.gz QQUYKUGEMYIIQT-AEFFLSMTSA-N 1 0 344.503 3.065 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCCc3cnn(C(C)C)c32)c(O)c1OC ZINC001333751899 1390392258 /nfs/dbraw/zinc/39/22/58/1390392258.db2.gz AZBRJEUVERQMJJ-HNNXBMFYSA-N 1 0 345.443 3.354 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](OC)c2ccc(F)cc2)c(O)c1OC ZINC001335468413 1390687812 /nfs/dbraw/zinc/68/78/12/1390687812.db2.gz ZCRMUURRRKTJBR-MRXNPFEDSA-N 1 0 335.375 3.026 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001351331226 1391628107 /nfs/dbraw/zinc/62/81/07/1391628107.db2.gz PVVBHTUYSHGUHX-INIZCTEOSA-N 1 0 333.476 3.154 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCc2cccs2)cc1C ZINC001752918344 1440247906 /nfs/dbraw/zinc/24/79/06/1440247906.db2.gz ZIOGQPGOESGIMH-HNNXBMFYSA-N 1 0 346.496 3.292 20 10 EGCDRO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCCCC1 ZINC001752922242 1440249025 /nfs/dbraw/zinc/24/90/25/1440249025.db2.gz IEUSGQIHIUVHED-ZDUSSCGKSA-N 1 0 345.447 3.137 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001753003577 1440265324 /nfs/dbraw/zinc/26/53/24/1440265324.db2.gz VSBHSGUJRKSKQJ-ZDUSSCGKSA-N 1 0 349.862 3.283 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C3CC(C)C3)C2)cc1C ZINC001754693932 1440666680 /nfs/dbraw/zinc/66/66/80/1440666680.db2.gz YSFTUPJHZSQINO-ZYKWQNGHSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)c3ccco3)C2)cc1C ZINC001754900169 1440706857 /nfs/dbraw/zinc/70/68/57/1440706857.db2.gz AFDKQEWFLOXEKO-MRXNPFEDSA-N 1 0 342.439 3.239 20 10 EGCDRO CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755619702 1440890195 /nfs/dbraw/zinc/89/01/95/1440890195.db2.gz ZGZSQDLWNKQRSA-ZDUSSCGKSA-N 1 0 347.463 3.335 20 10 EGCDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(F)ccc1O ZINC000824293525 946646461 /nfs/dbraw/zinc/64/64/61/946646461.db2.gz PZWILPNCKPOCEO-UHFFFAOYSA-N 1 0 341.390 3.122 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)c1O ZINC000275372088 456274386 /nfs/dbraw/zinc/27/43/86/456274386.db2.gz VVXWCJYGBWMGSP-RMDKCXRXSA-N 1 0 348.306 3.271 20 10 EGCDRO COc1ccc(O)c(CN2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000190133359 455281788 /nfs/dbraw/zinc/28/17/88/455281788.db2.gz QMSIGDUJOGMHNA-GOSISDBHSA-N 1 0 335.350 3.253 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1O ZINC000183430822 455291785 /nfs/dbraw/zinc/29/17/85/455291785.db2.gz RERNRSGDWFRSRG-AWEZNQCLSA-N 1 0 330.403 3.219 20 10 EGCDRO COc1ccc(OC)c2c1C[N@H+](Cc1cc(C)c(C)cc1O)C[C@@H]2O ZINC000029543374 453829739 /nfs/dbraw/zinc/82/97/39/453829739.db2.gz IRYDUJFTSBVTJN-KRWDZBQOSA-N 1 0 343.423 3.075 20 10 EGCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000089636319 454170406 /nfs/dbraw/zinc/17/04/06/454170406.db2.gz PBINBYSMVIWKIE-JKSUJKDBSA-N 1 0 338.517 3.151 20 10 EGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000119584090 454205955 /nfs/dbraw/zinc/20/59/55/454205955.db2.gz AFLPQECVISXSNE-OAHLLOKOSA-N 1 0 335.831 3.055 20 10 EGCDRO CCOc1cccc(CNc2ccc(OCC[NH+](C)C)cc2)c1O ZINC000119679072 454212919 /nfs/dbraw/zinc/21/29/19/454212919.db2.gz HCKZJLQNSSXFRN-UHFFFAOYSA-N 1 0 330.428 3.343 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000121774186 454474938 /nfs/dbraw/zinc/47/49/38/454474938.db2.gz JENXOWPRAOTYJH-ZDUSSCGKSA-N 1 0 342.830 3.468 20 10 EGCDRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC000092144438 454527449 /nfs/dbraw/zinc/52/74/49/454527449.db2.gz UOHCUXDXRIFADC-UHFFFAOYSA-N 1 0 343.515 3.223 20 10 EGCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000093741879 454731769 /nfs/dbraw/zinc/73/17/69/454731769.db2.gz VSBOJWIHKRYESM-ZDUSSCGKSA-N 1 0 341.293 3.318 20 10 EGCDRO CCC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccccc1O ZINC000137009724 454765067 /nfs/dbraw/zinc/76/50/67/454765067.db2.gz MSYJQLSYOJIESG-UHFFFAOYSA-N 1 0 348.472 3.218 20 10 EGCDRO COc1cc(Cl)c(C)cc1NC(=O)CN(C)Cc1ccccc1O ZINC000109770288 454835800 /nfs/dbraw/zinc/83/58/00/454835800.db2.gz JYMFGBYYYRYTFD-UHFFFAOYSA-N 1 0 348.830 3.433 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC([C@@H](O)c3ccccc3)CC1)OCO2 ZINC000126197642 454876916 /nfs/dbraw/zinc/87/69/16/454876916.db2.gz DAZXCXMVWWBBHP-FQEVSTJZSA-N 1 0 341.407 3.067 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154458337 454899248 /nfs/dbraw/zinc/89/92/48/454899248.db2.gz VGHCLTPMCNLADS-AWEZNQCLSA-N 1 0 330.403 3.219 20 10 EGCDRO CCCNC(=O)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113323266 454922597 /nfs/dbraw/zinc/92/25/97/454922597.db2.gz BIDXTQQIRVYSHV-UHFFFAOYSA-N 1 0 332.831 3.475 20 10 EGCDRO CCCC[C@H](COC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151537227 454998087 /nfs/dbraw/zinc/99/80/87/454998087.db2.gz DWGYMNJYKZRNEF-MRXNPFEDSA-N 1 0 338.467 3.082 20 10 EGCDRO O=C1C[C@H](C[NH2+]Cc2cc(Cl)ccc2O)CN1Cc1ccccc1 ZINC000179052010 455003199 /nfs/dbraw/zinc/00/31/99/455003199.db2.gz FRVROFVJYYQTNU-OAHLLOKOSA-N 1 0 344.842 3.184 20 10 EGCDRO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179563007 455058523 /nfs/dbraw/zinc/05/85/23/455058523.db2.gz NFTAFWYXFFJSIB-UHFFFAOYSA-N 1 0 344.842 3.394 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171781597 455093612 /nfs/dbraw/zinc/09/36/12/455093612.db2.gz BVXRXJPMPKMKHH-UHFFFAOYSA-N 1 0 345.487 3.188 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000179928634 455100396 /nfs/dbraw/zinc/10/03/96/455100396.db2.gz HUSHIHZMFQTPOE-QGZVFWFLSA-N 1 0 343.402 3.236 20 10 EGCDRO CCn1nccc1C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000180221292 455149214 /nfs/dbraw/zinc/14/92/14/455149214.db2.gz HGIFPZQNWQHHFP-UHFFFAOYSA-N 1 0 338.249 3.393 20 10 EGCDRO Cc1cc(C(=O)N2CCC(C[NH3+])CC2)c(C)n1-c1ccc(F)cc1 ZINC000237677671 455206342 /nfs/dbraw/zinc/20/63/42/455206342.db2.gz ZAVHKPHBBFGFHP-UHFFFAOYSA-N 1 0 329.419 3.044 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1O ZINC000183381354 455284995 /nfs/dbraw/zinc/28/49/95/455284995.db2.gz RXKPZWCIQGAPGP-BEFAXECRSA-N 1 0 344.430 3.255 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1O ZINC000183386842 455285820 /nfs/dbraw/zinc/28/58/20/455285820.db2.gz ZMLJOFFNHUGVMZ-INIZCTEOSA-N 1 0 326.440 3.075 20 10 EGCDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000265099743 455300295 /nfs/dbraw/zinc/30/02/95/455300295.db2.gz SWDIEHUSMYOUGZ-HNNXBMFYSA-N 1 0 341.455 3.321 20 10 EGCDRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183518340 455302800 /nfs/dbraw/zinc/30/28/00/455302800.db2.gz LTJUFHMUGOUQOL-HIFRSBDPSA-N 1 0 326.481 3.455 20 10 EGCDRO CCOC(=O)CCCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000265398353 455318409 /nfs/dbraw/zinc/31/84/09/455318409.db2.gz PNCVTBUEDYLREY-UHFFFAOYSA-N 1 0 348.487 3.079 20 10 EGCDRO [NH3+]CC1(CC(=O)NCc2ccc(N3CCCC3)cc2)CCCCC1 ZINC000184226115 455363056 /nfs/dbraw/zinc/36/30/56/455363056.db2.gz LRQVMNRZOLHKBH-UHFFFAOYSA-N 1 0 329.488 3.202 20 10 EGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000174508855 455398066 /nfs/dbraw/zinc/39/80/66/455398066.db2.gz OHUHNKCBPGWPSL-MOPGFXCFSA-N 1 0 348.462 3.100 20 10 EGCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCCCC3)cc1)CC2 ZINC000160299125 455446016 /nfs/dbraw/zinc/44/60/16/455446016.db2.gz FXCHAZUMYRDHFR-QAPCUYQASA-N 1 0 339.487 3.242 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c(O)c1 ZINC000184894376 455468565 /nfs/dbraw/zinc/46/85/65/455468565.db2.gz CJJBPEILFHVKPY-QGZVFWFLSA-N 1 0 340.467 3.384 20 10 EGCDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000184955480 455478524 /nfs/dbraw/zinc/47/85/24/455478524.db2.gz ZODPWQACNAFSQU-LBPRGKRZSA-N 1 0 334.851 3.257 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1 ZINC000185086692 455498823 /nfs/dbraw/zinc/49/88/23/455498823.db2.gz ZLMFLCNLHNJIIT-INIZCTEOSA-N 1 0 347.480 3.356 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)c1cc(OC)cc(OC)c1)c1ccccc1O ZINC000185211675 455522774 /nfs/dbraw/zinc/52/27/74/455522774.db2.gz HNAIUMRBCCNOKR-MJGOQNOKSA-N 1 0 331.412 3.184 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185374842 455550743 /nfs/dbraw/zinc/55/07/43/455550743.db2.gz YSKZPKNLUJXJRN-CHWSQXEVSA-N 1 0 337.366 3.069 20 10 EGCDRO CCc1cc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3O)CC2)ncn1 ZINC000185643203 455588593 /nfs/dbraw/zinc/58/85/93/455588593.db2.gz AMJDZPFAXMFCBM-CYBMUJFWSA-N 1 0 344.434 3.203 20 10 EGCDRO Cc1cc(Br)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277551918 455596102 /nfs/dbraw/zinc/59/61/02/455596102.db2.gz RBKBQHOMQLGSFV-OAHLLOKOSA-N 1 0 341.293 3.379 20 10 EGCDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000192603023 455650900 /nfs/dbraw/zinc/65/09/00/455650900.db2.gz UQRAOVYLOJWEQB-CPUCHLNUSA-N 1 0 340.414 3.271 20 10 EGCDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2)ncn1 ZINC000186023861 455677954 /nfs/dbraw/zinc/67/79/54/455677954.db2.gz WEYPUTSZBIZLQP-XJKSGUPXSA-N 1 0 344.434 3.203 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000284430459 455684547 /nfs/dbraw/zinc/68/45/47/455684547.db2.gz RWYPSAQFUDIXOE-ACJLOTCBSA-N 1 0 332.419 3.493 20 10 EGCDRO Cc1ncsc1/C=C/C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000186172312 455709478 /nfs/dbraw/zinc/70/94/78/455709478.db2.gz OSXJEYIZHHFOQK-ROJDOSBLSA-N 1 0 339.464 3.476 20 10 EGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268701275 455711148 /nfs/dbraw/zinc/71/11/48/455711148.db2.gz AAOFQKHDBUCVLO-MRXNPFEDSA-N 1 0 349.494 3.187 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000268878560 455716970 /nfs/dbraw/zinc/71/69/70/455716970.db2.gz XBBIPZXTVGUPGA-XHDPSFHLSA-N 1 0 334.357 3.390 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000186372899 455754488 /nfs/dbraw/zinc/75/44/88/455754488.db2.gz WDYWHXKHYMGNCP-CYBMUJFWSA-N 1 0 349.452 3.045 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1F ZINC000292999463 455770459 /nfs/dbraw/zinc/77/04/59/455770459.db2.gz OTMKVXKOBHEWNY-UHFFFAOYSA-N 1 0 343.446 3.018 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000271859301 455788764 /nfs/dbraw/zinc/78/87/64/455788764.db2.gz YGUSJJCAZQVARE-HXUWFJFHSA-N 1 0 327.424 3.346 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000278240603 455794632 /nfs/dbraw/zinc/79/46/32/455794632.db2.gz LKVWFZJEURIKEE-SWLSCSKDSA-N 1 0 338.423 3.409 20 10 EGCDRO Oc1ccc(Br)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000293830616 455797852 /nfs/dbraw/zinc/79/78/52/455797852.db2.gz GLOHHKLOOPUNER-AWEZNQCLSA-N 1 0 326.234 3.034 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293980030 455802301 /nfs/dbraw/zinc/80/23/01/455802301.db2.gz KUYNUQCMROYQSF-SFHVURJKSA-N 1 0 327.424 3.318 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000269244128 455820007 /nfs/dbraw/zinc/82/00/07/455820007.db2.gz ZEJUCEXHTJZZDP-KZULUSFZSA-N 1 0 329.419 3.043 20 10 EGCDRO CNC(=O)C(C)(C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294687156 455823529 /nfs/dbraw/zinc/82/35/29/455823529.db2.gz ILJLBYRJUFHVTD-GOSISDBHSA-N 1 0 340.467 3.428 20 10 EGCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000278367524 455831017 /nfs/dbraw/zinc/83/10/17/455831017.db2.gz DGHRBBFMLCVUDN-PBPGXSGUSA-N 1 0 332.488 3.258 20 10 EGCDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000295125127 455840377 /nfs/dbraw/zinc/84/03/77/455840377.db2.gz NWWUMPIQOZJVGJ-GFCCVEGCSA-N 1 0 326.412 3.314 20 10 EGCDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000295286631 455845164 /nfs/dbraw/zinc/84/51/64/455845164.db2.gz UBSYQXVZVNRSJU-ZDUSSCGKSA-N 1 0 328.250 3.138 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1O ZINC000278863414 455851198 /nfs/dbraw/zinc/85/11/98/455851198.db2.gz YBJASKOTSHSLML-OAHLLOKOSA-N 1 0 339.794 3.407 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000279086306 455857659 /nfs/dbraw/zinc/85/76/59/455857659.db2.gz SPBBVIKTVQRKMK-MRXNPFEDSA-N 1 0 325.767 3.017 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)CC2 ZINC000295957482 455864816 /nfs/dbraw/zinc/86/48/16/455864816.db2.gz LXLLFOUXHVRPDQ-HOTGVXAUSA-N 1 0 344.480 3.104 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1 ZINC000296065004 455868834 /nfs/dbraw/zinc/86/88/34/455868834.db2.gz PNLMIIQVRFGIAO-MSOLQXFVSA-N 1 0 346.496 3.014 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c(C(F)(F)F)c1 ZINC000279834401 455874643 /nfs/dbraw/zinc/87/46/43/455874643.db2.gz HCIDSHJDAZWJEH-BLLLJJGKSA-N 1 0 330.394 3.412 20 10 EGCDRO CCO[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000195188597 455930511 /nfs/dbraw/zinc/93/05/11/455930511.db2.gz ZEXXLNDIMDSUPP-IBGZPJMESA-N 1 0 331.412 3.277 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)CC2 ZINC000296435975 455937992 /nfs/dbraw/zinc/93/79/92/455937992.db2.gz MIDNKVCHWCHYBJ-CQSZACIVSA-N 1 0 328.378 3.243 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000188109890 456000015 /nfs/dbraw/zinc/00/00/15/456000015.db2.gz QUFVJTWCZZMSOM-APWZRJJASA-N 1 0 330.472 3.308 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000296692383 456011693 /nfs/dbraw/zinc/01/16/93/456011693.db2.gz HPWCJHVPUQCPPU-LJQANCHMSA-N 1 0 343.496 3.082 20 10 EGCDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272672315 456035296 /nfs/dbraw/zinc/03/52/96/456035296.db2.gz UBMBDSKOSLKTES-WBVHZDCISA-N 1 0 347.503 3.488 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1F ZINC000272738985 456056408 /nfs/dbraw/zinc/05/64/08/456056408.db2.gz IEDFFOZUHKSRCO-SBUREZEXSA-N 1 0 334.460 3.101 20 10 EGCDRO Cc1ccc([C@H]([NH2+]Cc2cccc(C)c2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280844620 456064565 /nfs/dbraw/zinc/06/45/65/456064565.db2.gz YSHDWIZXGGXFBY-CRAIPNDOSA-N 1 0 347.480 3.273 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(C)n1-c1ccccc1 ZINC000272796875 456072184 /nfs/dbraw/zinc/07/21/84/456072184.db2.gz ULMGMLWNVSNBGH-MRXNPFEDSA-N 1 0 337.467 3.474 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000280919488 456081163 /nfs/dbraw/zinc/08/11/63/456081163.db2.gz QXPVSDMNAIBIBA-AWEZNQCLSA-N 1 0 339.430 3.099 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cc3c(cc2SC)OCCO3)c1O ZINC000289404778 456124773 /nfs/dbraw/zinc/12/47/73/456124773.db2.gz GZDUFARPWZMZTN-UHFFFAOYSA-N 1 0 347.436 3.184 20 10 EGCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1O ZINC000289543859 456129999 /nfs/dbraw/zinc/12/99/99/456129999.db2.gz XAMYYFXBMDUVOL-CYBMUJFWSA-N 1 0 331.412 3.226 20 10 EGCDRO COC[C@@]1(C[NH2+][C@H](C)c2cc(C)ccc2O)OCCc2ccccc21 ZINC000289609905 456132704 /nfs/dbraw/zinc/13/27/04/456132704.db2.gz CZWZYWBUOBFISF-IIBYNOLFSA-N 1 0 341.451 3.466 20 10 EGCDRO COc1cccc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1O ZINC000289888733 456169989 /nfs/dbraw/zinc/16/99/89/456169989.db2.gz WISFVPREKMZRIW-UHFFFAOYSA-N 1 0 339.395 3.125 20 10 EGCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263657252 456183445 /nfs/dbraw/zinc/18/34/45/456183445.db2.gz GKTJWWWLXZLLTA-OAHLLOKOSA-N 1 0 326.440 3.454 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000273344676 456223458 /nfs/dbraw/zinc/22/34/58/456223458.db2.gz AIJFARAYGXGQDY-XLWVJDPXSA-N 1 0 335.831 3.181 20 10 EGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C2 ZINC000273477748 456233674 /nfs/dbraw/zinc/23/36/74/456233674.db2.gz LCRXLNRGDXXNBJ-JSGCOSHPSA-N 1 0 329.396 3.064 20 10 EGCDRO Cc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c(O)c1 ZINC000273525966 456236568 /nfs/dbraw/zinc/23/65/68/456236568.db2.gz VFNZLXOHDBKIFJ-RDJZCZTQSA-N 1 0 340.471 3.409 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@]23CCCO3)ccc1OC ZINC000273535538 456237912 /nfs/dbraw/zinc/23/79/12/456237912.db2.gz ALENFDVUMVKLOE-AQNXPRMDSA-N 1 0 349.471 3.048 20 10 EGCDRO C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(Br)cc1O ZINC000273575664 456239053 /nfs/dbraw/zinc/23/90/53/456239053.db2.gz LRYXWIINQBJVJB-LLVKDONJSA-N 1 0 336.233 3.312 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)c1 ZINC000273620685 456240788 /nfs/dbraw/zinc/24/07/88/456240788.db2.gz YZGNVZOLSZGDCF-HNNXBMFYSA-N 1 0 337.423 3.480 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000237219732 456248717 /nfs/dbraw/zinc/24/87/17/456248717.db2.gz ICBUOSWYHKKXOJ-FQEVSTJZSA-N 1 0 329.488 3.168 20 10 EGCDRO C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297791863 456295611 /nfs/dbraw/zinc/29/56/11/456295611.db2.gz QAFTVUVMDSCAEX-LJQANCHMSA-N 1 0 340.467 3.152 20 10 EGCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000282150495 456427311 /nfs/dbraw/zinc/42/73/11/456427311.db2.gz CPVUNTSVOBQRFP-LFVRLGFBSA-N 1 0 338.492 3.378 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)c3ccccc3)CC2)cc1 ZINC000304062727 456500046 /nfs/dbraw/zinc/50/00/46/456500046.db2.gz QXAWTBVOUONOBL-NRFANRHFSA-N 1 0 340.467 3.161 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCC(F)(F)F ZINC000282415134 456505056 /nfs/dbraw/zinc/50/50/56/456505056.db2.gz IUJKAXFTIYOLOE-LBPRGKRZSA-N 1 0 332.366 3.061 20 10 EGCDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299543445 456724122 /nfs/dbraw/zinc/72/41/22/456724122.db2.gz AKBRYSXXQRBFBU-UHFFFAOYSA-N 1 0 342.487 3.057 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CC2(COC)CCOCC2)cc1F ZINC000291826430 456769827 /nfs/dbraw/zinc/76/98/27/456769827.db2.gz ZSKMPLTZOFTCOH-UHFFFAOYSA-N 1 0 338.467 3.205 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000349643977 457003698 /nfs/dbraw/zinc/00/36/98/457003698.db2.gz GXXZYUMSDMTHPA-YOEHRIQHSA-N 1 0 342.487 3.015 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1OC ZINC000362636175 457018519 /nfs/dbraw/zinc/01/85/19/457018519.db2.gz DKWDYMPYTQQHIT-GJZGRUSLSA-N 1 0 335.444 3.048 20 10 EGCDRO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1O ZINC000370892281 457734317 /nfs/dbraw/zinc/73/43/17/457734317.db2.gz OLXJMIFXFRLTMT-UHFFFAOYSA-N 1 0 327.359 3.220 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000371327196 457868774 /nfs/dbraw/zinc/86/87/74/457868774.db2.gz MIEPMADJFGRQJN-NEPJUHHUSA-N 1 0 326.234 3.013 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(Cc3cccnc3)CC2)cc1OC ZINC000371464108 457944408 /nfs/dbraw/zinc/94/44/08/457944408.db2.gz OSJPCTNETOLQFP-UHFFFAOYSA-N 1 0 342.439 3.259 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)c1O ZINC000369037426 458072515 /nfs/dbraw/zinc/07/25/15/458072515.db2.gz XEWKVMGCJNVBBZ-CRAIPNDOSA-N 1 0 326.440 3.326 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420841738 458402356 /nfs/dbraw/zinc/40/23/56/458402356.db2.gz PFKBRQDFOWMNLW-UHFFFAOYSA-N 1 0 342.487 3.159 20 10 EGCDRO Clc1cccc2c1OC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000378087627 458627169 /nfs/dbraw/zinc/62/71/69/458627169.db2.gz GNHZOPILNNQGMF-GOSISDBHSA-N 1 0 344.842 3.400 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]C[C@@H]2COCCN2)c(O)c(C(C)(C)C)c1 ZINC000530247739 458730370 /nfs/dbraw/zinc/73/03/70/458730370.db2.gz YFEKINGPDCGTAP-MRXNPFEDSA-N 1 0 334.504 3.065 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Br)ccc1O ZINC000037158057 522912042 /nfs/dbraw/zinc/91/20/42/522912042.db2.gz YXZWBKKCTWPYCQ-SMDDNHRTSA-N 1 0 338.249 3.481 20 10 EGCDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000726587682 574562731 /nfs/dbraw/zinc/56/27/31/574562731.db2.gz AFNCGECTSIISSG-HNNXBMFYSA-N 1 0 335.444 3.313 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000726603198 574563400 /nfs/dbraw/zinc/56/34/00/574563400.db2.gz OGMHBFQNXVTTAT-UHFFFAOYSA-N 1 0 343.515 3.415 20 10 EGCDRO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000726980633 574626962 /nfs/dbraw/zinc/62/69/62/574626962.db2.gz CKHPTZBBSQWCMO-QGZVFWFLSA-N 1 0 339.483 3.404 20 10 EGCDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000731450529 575074824 /nfs/dbraw/zinc/07/48/24/575074824.db2.gz ILESYOYVIMBOHR-OAHLLOKOSA-N 1 0 344.430 3.089 20 10 EGCDRO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccccc1O ZINC000731843493 575211920 /nfs/dbraw/zinc/21/19/20/575211920.db2.gz KMABIPBJNSQESX-OAHLLOKOSA-N 1 0 331.416 3.318 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2cccc3c2OCCO3)ccc1OC ZINC000733331917 575328890 /nfs/dbraw/zinc/32/88/90/575328890.db2.gz NEKXUJRICIHHOF-UHFFFAOYSA-N 1 0 343.423 3.293 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000736348688 575941157 /nfs/dbraw/zinc/94/11/57/575941157.db2.gz UJRWXPNWAJQCGG-LPHOPBHVSA-N 1 0 337.467 3.239 20 10 EGCDRO CCn1ccnc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000738431342 576325238 /nfs/dbraw/zinc/32/52/38/576325238.db2.gz OYJTVGLNQYJORB-INIZCTEOSA-N 1 0 348.878 3.016 20 10 EGCDRO CC(C)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741709510 576712501 /nfs/dbraw/zinc/71/25/01/576712501.db2.gz LTCSFXQTDVUOTN-QGZVFWFLSA-N 1 0 331.504 3.269 20 10 EGCDRO CC1CCN(C(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000741711836 576712588 /nfs/dbraw/zinc/71/25/88/576712588.db2.gz OBMLNWHBOYFWGQ-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCOC2CCC2)ccc1N1CCCCC1 ZINC000742385791 576777593 /nfs/dbraw/zinc/77/75/93/576777593.db2.gz VAGQLSZUZHVYLE-UHFFFAOYSA-N 1 0 333.432 3.244 20 10 EGCDRO CC(C)[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccc(N(C)C)cc1 ZINC000743261579 576804559 /nfs/dbraw/zinc/80/45/59/576804559.db2.gz GMXCPHPIAVSALR-KRWDZBQOSA-N 1 0 331.504 3.364 20 10 EGCDRO CCN(CC[NH+]1CCCCC1)Cc1cc(Br)ccc1O ZINC000743870870 576818077 /nfs/dbraw/zinc/81/80/77/576818077.db2.gz FHAQTJQELMAHMO-UHFFFAOYSA-N 1 0 341.293 3.463 20 10 EGCDRO C[C@](CO)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000877050927 1299133085 /nfs/dbraw/zinc/13/30/85/1299133085.db2.gz JMNRQZFIVCAHPC-OAQYLSRUSA-N 1 0 346.515 3.069 20 10 EGCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000769410097 1303108864 /nfs/dbraw/zinc/10/88/64/1303108864.db2.gz YDMKTLJTJXOPPO-QAPCUYQASA-N 1 0 329.488 3.057 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(C)cc1O ZINC000794805314 1309598067 /nfs/dbraw/zinc/59/80/67/1309598067.db2.gz WWNICRSGMBCEPO-QAPCUYQASA-N 1 0 333.403 3.320 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(C)cc1O ZINC000794804531 1309598610 /nfs/dbraw/zinc/59/86/10/1309598610.db2.gz UQURUAGNSRYDTK-QAPCUYQASA-N 1 0 333.403 3.320 20 10 EGCDRO CCC[N@H+](Cc1cc(C(C)C)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000022013950 1291208735 /nfs/dbraw/zinc/20/87/35/1291208735.db2.gz SSBNAJYMWBSZFS-MRXNPFEDSA-N 1 0 339.501 3.223 20 10 EGCDRO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000075611529 1292402202 /nfs/dbraw/zinc/40/22/02/1292402202.db2.gz AWXZDTDTPVEJMF-UHFFFAOYSA-N 1 0 339.483 3.221 20 10 EGCDRO COc1cc2c(cc1C[NH2+]Cc1ccc3c(c1)CCO3)O[C@@H](C)C2 ZINC000078821272 1292528237 /nfs/dbraw/zinc/52/82/37/1292528237.db2.gz WLNHIEMDONLCOQ-ZDUSSCGKSA-N 1 0 325.408 3.243 20 10 EGCDRO COC1CCN(c2ccc(CN(C)CC3([NH+](C)C)CCC3)cc2)CC1 ZINC000829107141 1292541205 /nfs/dbraw/zinc/54/12/05/1292541205.db2.gz NUBVOHKOKQERMY-UHFFFAOYSA-N 1 0 345.531 3.218 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)ccc1N1CCCCC1 ZINC000829336889 1292563409 /nfs/dbraw/zinc/56/34/09/1292563409.db2.gz ULQFXJGGQBVVTL-RXVVDRJESA-N 1 0 344.499 3.365 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c1O ZINC000830082624 1292660753 /nfs/dbraw/zinc/66/07/53/1292660753.db2.gz LEVPDDPBHGJKNP-GFCCVEGCSA-N 1 0 336.863 3.164 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085425591 1292721473 /nfs/dbraw/zinc/72/14/73/1292721473.db2.gz QIBXRXWPPHCHMV-HNNXBMFYSA-N 1 0 335.492 3.290 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089155951 1292759173 /nfs/dbraw/zinc/75/91/73/1292759173.db2.gz JHSKZFMHBSZGRM-UHFFFAOYSA-N 1 0 347.503 3.408 20 10 EGCDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090087765 1292787354 /nfs/dbraw/zinc/78/73/54/1292787354.db2.gz SOUSHSXYXGENEN-CABCVRRESA-N 1 0 338.467 3.110 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCCCC[NH3+] ZINC000831263547 1292834657 /nfs/dbraw/zinc/83/46/57/1292834657.db2.gz LASSFTIKPGOCKG-UHFFFAOYSA-N 1 0 334.508 3.192 20 10 EGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(N)c3)c2)CC1 ZINC000831490856 1292871134 /nfs/dbraw/zinc/87/11/34/1292871134.db2.gz RHOQRSJNXBYCGG-UHFFFAOYSA-N 1 0 338.455 3.052 20 10 EGCDRO CCOCC[N@H+](CC)Cc1cc(Br)cc(OC)c1O ZINC000092537629 1292875197 /nfs/dbraw/zinc/87/51/97/1292875197.db2.gz UIUKKMVHXCFZAV-UHFFFAOYSA-N 1 0 332.238 3.022 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000102684583 1292981314 /nfs/dbraw/zinc/98/13/14/1292981314.db2.gz LWUOZZCPUYDVQK-HXUWFJFHSA-N 1 0 339.483 3.418 20 10 EGCDRO C/C(=C\C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000832286340 1292982179 /nfs/dbraw/zinc/98/21/79/1292982179.db2.gz YBWGIITYEMQFTN-VUVZNRFTSA-N 1 0 341.430 3.111 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC000104187962 1293019460 /nfs/dbraw/zinc/01/94/60/1293019460.db2.gz WMKOFVBNDIHIPG-QGZVFWFLSA-N 1 0 325.456 3.084 20 10 EGCDRO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235713 1293102403 /nfs/dbraw/zinc/10/24/03/1293102403.db2.gz UYEUQWKHANOJPH-UHFFFAOYSA-N 1 0 338.860 3.198 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000834535108 1293112795 /nfs/dbraw/zinc/11/27/95/1293112795.db2.gz YQSYLIPXQUQRDF-ATZDWAIDSA-N 1 0 330.472 3.131 20 10 EGCDRO COc1cccc([C@H](C[NH2+]Cc2c(O)cccc2Cl)N(C)C)c1 ZINC000113311366 1293146587 /nfs/dbraw/zinc/14/65/87/1293146587.db2.gz HBMPRLMWNROEEX-KRWDZBQOSA-N 1 0 334.847 3.447 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c(C)n1-c1ccccc1C ZINC000834791617 1293149634 /nfs/dbraw/zinc/14/96/34/1293149634.db2.gz PHMPQWQTBMLLLM-LJQANCHMSA-N 1 0 337.467 3.274 20 10 EGCDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)c(C)n1-c1cccc(C)c1 ZINC000834829454 1293155109 /nfs/dbraw/zinc/15/51/09/1293155109.db2.gz BNEAPPBIQFUYHU-MRXNPFEDSA-N 1 0 335.398 3.115 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000834903037 1293170093 /nfs/dbraw/zinc/17/00/93/1293170093.db2.gz HKHMGMHPYMJKFE-GRDNDAEWSA-N 1 0 336.435 3.335 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000834907076 1293171936 /nfs/dbraw/zinc/17/19/36/1293171936.db2.gz LVVFGBAENKUKHC-RYQLBKOJSA-N 1 0 329.488 3.372 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000834907615 1293172546 /nfs/dbraw/zinc/17/25/46/1293172546.db2.gz XXKZZNCGTIMRSH-VNQPRFMTSA-N 1 0 333.451 3.121 20 10 EGCDRO C[C@H]([NH2+]CCOCC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000834908247 1293172951 /nfs/dbraw/zinc/17/29/51/1293172951.db2.gz CPROKGRHTXOBMM-KRWDZBQOSA-N 1 0 332.488 3.381 20 10 EGCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834912610 1293174931 /nfs/dbraw/zinc/17/49/31/1293174931.db2.gz SQKMMZUWOUUDKE-IFUGULHKSA-N 1 0 343.402 3.400 20 10 EGCDRO CCOC(=O)CN(Cc1c(O)ccc2ccc(OC)cc21)C1CC1 ZINC000120700428 1293333632 /nfs/dbraw/zinc/33/36/32/1293333632.db2.gz PGTKOKBPHTWTGI-UHFFFAOYSA-N 1 0 329.396 3.082 20 10 EGCDRO C[C@@H](C(=O)NCCCSc1nccs1)[NH+]1[C@H](C)CC[C@H]1C ZINC000127062213 1293552680 /nfs/dbraw/zinc/55/26/80/1293552680.db2.gz RXSRUUCRWJTQCT-UPJWGTAASA-N 1 0 327.519 3.003 20 10 EGCDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC000128967360 1293609317 /nfs/dbraw/zinc/60/93/17/1293609317.db2.gz JFLHMPROBCIMOC-UHFFFAOYSA-N 1 0 328.840 3.392 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000129783391 1293634152 /nfs/dbraw/zinc/63/41/52/1293634152.db2.gz JWNAWFGAMZRNQV-JXFKEZNVSA-N 1 0 332.488 3.115 20 10 EGCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151024614 1293903298 /nfs/dbraw/zinc/90/32/98/1293903298.db2.gz QFYIQUDZRUXIEC-UHFFFAOYSA-N 1 0 326.440 3.130 20 10 EGCDRO CCCCCNC(=O)C1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000153005274 1293995592 /nfs/dbraw/zinc/99/55/92/1293995592.db2.gz JPCAVASFIOFIMQ-UHFFFAOYSA-N 1 0 348.487 3.309 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000155216561 1294089630 /nfs/dbraw/zinc/08/96/30/1294089630.db2.gz WXACJVDAFBJHBY-GOSISDBHSA-N 1 0 326.440 3.280 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(O)cc1C ZINC000160364360 1294266649 /nfs/dbraw/zinc/26/66/49/1294266649.db2.gz VTZWRSCORKNVSU-QHCPKHFHSA-N 1 0 333.453 3.079 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2C)cc1 ZINC000160920976 1294280665 /nfs/dbraw/zinc/28/06/65/1294280665.db2.gz KRAPKGUSUABCIG-JKSUJKDBSA-N 1 0 341.455 3.102 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccco3)CC2)cc1 ZINC000162831892 1294322798 /nfs/dbraw/zinc/32/27/98/1294322798.db2.gz FPIVUEZYZRIASS-KRWDZBQOSA-N 1 0 343.471 3.151 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCc3c(C)noc3C)CC2)cc1 ZINC000164922029 1294353713 /nfs/dbraw/zinc/35/37/13/1294353713.db2.gz YJSCLNWIEGIODR-UHFFFAOYSA-N 1 0 329.444 3.055 20 10 EGCDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000177958807 1294705424 /nfs/dbraw/zinc/70/54/24/1294705424.db2.gz HFWWRAMNHBGJPS-KBPBESRZSA-N 1 0 346.450 3.116 20 10 EGCDRO C[C@@H]([NH2+]CCc1cscn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178470491 1294736377 /nfs/dbraw/zinc/73/63/77/1294736377.db2.gz XOPSHKJNYBPKQO-CYBMUJFWSA-N 1 0 335.448 3.012 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000178858955 1294758983 /nfs/dbraw/zinc/75/89/83/1294758983.db2.gz FRYNUCHCDMJPEL-UHFFFAOYSA-N 1 0 330.472 3.234 20 10 EGCDRO COc1cc(CN2CCO[C@H](c3ccc(F)cc3)C2)c(O)cc1C ZINC000179436790 1294794591 /nfs/dbraw/zinc/79/45/91/1294794591.db2.gz DJKDVLBXCHHNLM-IBGZPJMESA-N 1 0 331.387 3.422 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000179884532 1294835963 /nfs/dbraw/zinc/83/59/63/1294835963.db2.gz GJFBPQAMEKBNSD-KRWDZBQOSA-N 1 0 332.488 3.345 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)c1 ZINC000182362017 1295038623 /nfs/dbraw/zinc/03/86/23/1295038623.db2.gz XWFQKDIYJQQLFQ-NSHDSACASA-N 1 0 345.424 3.013 20 10 EGCDRO [NH3+]CCCN(Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 ZINC000183221137 1295105588 /nfs/dbraw/zinc/10/55/88/1295105588.db2.gz MVEGSBLGHASHJL-UHFFFAOYSA-N 1 0 343.446 3.018 20 10 EGCDRO CCOc1ccccc1N1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000183464707 1295121812 /nfs/dbraw/zinc/12/18/12/1295121812.db2.gz RREGUDHFXCALDS-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(O)cc1C ZINC000183795758 1295143912 /nfs/dbraw/zinc/14/39/12/1295143912.db2.gz KLCBMVVMQWKSCE-OAHLLOKOSA-N 1 0 335.444 3.263 20 10 EGCDRO Cc1cc(C(=O)CN2CC[C@@H](O)[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000186857034 1295353936 /nfs/dbraw/zinc/35/39/36/1295353936.db2.gz WVPDLDPMRZNGRH-FOIQADDNSA-N 1 0 340.467 3.288 20 10 EGCDRO Cc1cc(C(=O)NC2(C)CC[NH2+]CC2)c(C)n1-c1ccccc1C ZINC000193394774 1295863134 /nfs/dbraw/zinc/86/31/34/1295863134.db2.gz GWPDAXIKQBFOPX-UHFFFAOYSA-N 1 0 325.456 3.274 20 10 EGCDRO [NH3+]CCN(Cc1ccccc1)Cc1cc(Br)ccc1O ZINC000220352953 1296125130 /nfs/dbraw/zinc/12/51/30/1296125130.db2.gz HFUMSZNZFHYJPH-UHFFFAOYSA-N 1 0 335.245 3.116 20 10 EGCDRO CCCc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000870933650 1296144046 /nfs/dbraw/zinc/14/40/46/1296144046.db2.gz SKNIAAYSFKSCKJ-MRXNPFEDSA-N 1 0 331.485 3.196 20 10 EGCDRO CCC(CC)(C[NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236634753 1296194089 /nfs/dbraw/zinc/19/40/89/1296194089.db2.gz WJHUEFANKYTNEF-UHFFFAOYSA-N 1 0 331.504 3.400 20 10 EGCDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000237128996 1296220500 /nfs/dbraw/zinc/22/05/00/1296220500.db2.gz UNMSBHZWLQDVGV-KRWDZBQOSA-N 1 0 329.419 3.057 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000237520702 1296248022 /nfs/dbraw/zinc/24/80/22/1296248022.db2.gz AHEBAFRCSIDDMQ-HNNXBMFYSA-N 1 0 331.504 3.440 20 10 EGCDRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC000262594567 1296641359 /nfs/dbraw/zinc/64/13/59/1296641359.db2.gz TXNUDMOMINZXET-KRWDZBQOSA-N 1 0 325.456 3.132 20 10 EGCDRO Cc1cc(C(=O)N(C)CC(C)(C)C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000262585415 1296641601 /nfs/dbraw/zinc/64/16/01/1296641601.db2.gz OEOKBUSYGLHKGP-UHFFFAOYSA-N 1 0 331.435 3.290 20 10 EGCDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000262655190 1296644498 /nfs/dbraw/zinc/64/44/98/1296644498.db2.gz TWQUCQADTLLTEO-OAHLLOKOSA-N 1 0 325.456 3.057 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(C)n1-c1ccccc1C ZINC000262956483 1296655013 /nfs/dbraw/zinc/65/50/13/1296655013.db2.gz WAPMTVDHAMVITE-RHSMWYFYSA-N 1 0 325.456 3.273 20 10 EGCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000305069812 1296964887 /nfs/dbraw/zinc/96/48/87/1296964887.db2.gz KUYOBFDVXJMQBD-AUUYWEPGSA-N 1 0 344.455 3.154 20 10 EGCDRO O=C(OCc1ccccc1)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000309941001 1297081509 /nfs/dbraw/zinc/08/15/09/1297081509.db2.gz GWTWEXDHQMHXFN-UHFFFAOYSA-N 1 0 340.423 3.283 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000325370805 1297224900 /nfs/dbraw/zinc/22/49/00/1297224900.db2.gz SIRKBNVKMBPKLX-AEFFLSMTSA-N 1 0 331.504 3.127 20 10 EGCDRO COc1ccc(C[NH2+]CCSC(F)(F)F)cc1Cn1cccn1 ZINC000873016999 1297225223 /nfs/dbraw/zinc/22/52/23/1297225223.db2.gz SNDJOKBHNAPEHZ-UHFFFAOYSA-N 1 0 345.390 3.283 20 10 EGCDRO CCCOc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1C ZINC000873107115 1297274294 /nfs/dbraw/zinc/27/42/94/1297274294.db2.gz ZUWBGCOBOJFBRU-UHFFFAOYSA-N 1 0 331.485 3.418 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1C ZINC000873127739 1297284075 /nfs/dbraw/zinc/28/40/75/1297284075.db2.gz UVYYYLVRNBSMOZ-UHFFFAOYSA-N 1 0 326.440 3.101 20 10 EGCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cn1 ZINC000873128818 1297285990 /nfs/dbraw/zinc/28/59/90/1297285990.db2.gz AMXBNHLCSGBZDP-OAHLLOKOSA-N 1 0 339.443 3.007 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)cc1Cn1cccn1 ZINC000873132552 1297288987 /nfs/dbraw/zinc/28/89/87/1297288987.db2.gz XIGZIHAPKOUPRY-FOIQADDNSA-N 1 0 343.471 3.233 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1C(=O)OC(C)(C)C ZINC000385498296 1297582805 /nfs/dbraw/zinc/58/28/05/1297582805.db2.gz YCRBBWDGUBYXHZ-WMLDXEAASA-N 1 0 346.471 3.499 20 10 EGCDRO CO[C@H](C[NH2+]Cc1cccc(Br)c1[O-])C1CCCC1 ZINC000692967976 1298147175 /nfs/dbraw/zinc/14/71/75/1298147175.db2.gz WFQDSXLYDJWVNS-CQSZACIVSA-N 1 0 328.250 3.450 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000697870369 1298165975 /nfs/dbraw/zinc/16/59/75/1298165975.db2.gz FXTVOKASHCEVCZ-OLZOCXBDSA-N 1 0 338.448 3.212 20 10 EGCDRO CC[C@H]([NH2+]CCC1CC(O)C1)c1cc(Br)ccc1O ZINC000702437317 1298196219 /nfs/dbraw/zinc/19/62/19/1298196219.db2.gz SJNKTDLEOWIEFH-OVGLSYRBSA-N 1 0 328.250 3.356 20 10 EGCDRO [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000715778759 1298286092 /nfs/dbraw/zinc/28/60/92/1298286092.db2.gz MIOGRPFBDKOCIU-CHWSQXEVSA-N 1 0 343.240 3.010 20 10 EGCDRO CC[NH+]1CCC(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715830206 1298287911 /nfs/dbraw/zinc/28/79/11/1298287911.db2.gz XZAGUXXWLITLAU-UHFFFAOYSA-N 1 0 345.256 3.115 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCC2CCCCC2)cc1 ZINC000725810930 1298367959 /nfs/dbraw/zinc/36/79/59/1298367959.db2.gz BRPKNSXJJLZRFB-UHFFFAOYSA-N 1 0 331.504 3.271 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000725847744 1298373852 /nfs/dbraw/zinc/37/38/52/1298373852.db2.gz HSVDRWMKIRTLEM-UHFFFAOYSA-N 1 0 349.814 3.158 20 10 EGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1O)c1ccc(Cl)cc1 ZINC000746761942 1298656336 /nfs/dbraw/zinc/65/63/36/1298656336.db2.gz PLJKKGDJAJWVTH-INIZCTEOSA-N 1 0 347.846 3.148 20 10 EGCDRO Nc1c(F)cccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876531644 1298809430 /nfs/dbraw/zinc/80/94/30/1298809430.db2.gz LERGDKWSGZWNLC-MRXNPFEDSA-N 1 0 330.403 3.295 20 10 EGCDRO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C)cc1O ZINC000876532498 1298810851 /nfs/dbraw/zinc/81/08/51/1298810851.db2.gz IADNKYXVBNVTIF-UHFFFAOYSA-N 1 0 334.366 3.439 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CC(=O)Nc2cccc(F)c2)cc1 ZINC000747853051 1298872615 /nfs/dbraw/zinc/87/26/15/1298872615.db2.gz VWRMMCPKOJUYEL-UHFFFAOYSA-N 1 0 329.419 3.400 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cccc(F)c3N)CC2)cc1 ZINC000876630856 1298883966 /nfs/dbraw/zinc/88/39/66/1298883966.db2.gz MOKLNBXRNHNNQN-UHFFFAOYSA-N 1 0 329.419 3.129 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000876724978 1298940085 /nfs/dbraw/zinc/94/00/85/1298940085.db2.gz LDAUINFEBMSBNO-UHFFFAOYSA-N 1 0 340.452 3.028 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCc3c(F)cccc3F)cc2)CC1 ZINC000876944440 1299079811 /nfs/dbraw/zinc/07/98/11/1299079811.db2.gz LJUHQPWGKNLAOD-UHFFFAOYSA-N 1 0 346.421 3.258 20 10 EGCDRO Cc1nc(CN2CCC(C[NH2+]Cc3c(C)cccc3O)CC2)oc1C ZINC000877009035 1299111832 /nfs/dbraw/zinc/11/18/32/1299111832.db2.gz RTLLAAPVDZSTOZ-UHFFFAOYSA-N 1 0 343.471 3.307 20 10 EGCDRO Cc1cccc(O)c1CNc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000877308363 1299242209 /nfs/dbraw/zinc/24/22/09/1299242209.db2.gz UDPOIDIHMGZLTN-UHFFFAOYSA-N 1 0 340.467 3.442 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(CO)c2ccccc2)c1O ZINC000750044365 1299329042 /nfs/dbraw/zinc/32/90/42/1299329042.db2.gz GGKUTOPIRLREIB-GOSISDBHSA-N 1 0 333.815 3.246 20 10 EGCDRO OC1CCN(c2ccc(C[N@H+](Cc3cccnc3)C3CC3)cc2)CC1 ZINC000877530579 1299372323 /nfs/dbraw/zinc/37/23/23/1299372323.db2.gz 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MKUOQAMVAFKXCX-CJNGLKHVSA-N 1 0 330.472 3.321 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)c2c1c(F)ccc2O ZINC000756766590 1300562008 /nfs/dbraw/zinc/56/20/08/1300562008.db2.gz XEAJUJRPGXHRNY-NFAWXSAZSA-N 1 0 335.419 3.397 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000756762581 1300562442 /nfs/dbraw/zinc/56/24/42/1300562442.db2.gz UTDXSGDBTMTCLD-HZPDHXFCSA-N 1 0 348.487 3.197 20 10 EGCDRO C[C@@H](CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000879648746 1300649529 /nfs/dbraw/zinc/64/95/29/1300649529.db2.gz CDHUZTYJTCEWIO-ARFHVFGLSA-N 1 0 326.440 3.351 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1ccccc1O ZINC000879648729 1300650067 /nfs/dbraw/zinc/65/00/67/1300650067.db2.gz AWPLPPBMKZBFOM-CYBMUJFWSA-N 1 0 328.437 3.182 20 10 EGCDRO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1c(O)ccc2ccncc21 ZINC000758279652 1300840325 /nfs/dbraw/zinc/84/03/25/1300840325.db2.gz YULNOLYGEUCOBU-UHFFFAOYSA-N 1 0 330.428 3.494 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2CCCC[C@H]2C)cc1 ZINC000759644973 1301134895 /nfs/dbraw/zinc/13/48/95/1301134895.db2.gz WKKDPZRFTIWVKE-QGZVFWFLSA-N 1 0 331.504 3.366 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1F ZINC000762614166 1301712922 /nfs/dbraw/zinc/71/29/22/1301712922.db2.gz KRFQWXXKQKUXNG-FVQBIDKESA-N 1 0 326.506 3.361 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000762611355 1301713129 /nfs/dbraw/zinc/71/31/29/1301713129.db2.gz DNMPDTJKJAUHHV-BMFZPTHFSA-N 1 0 325.499 3.260 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3CCC4(CC4)CC3)cc2)CC1 ZINC000881854297 1301742662 /nfs/dbraw/zinc/74/26/62/1301742662.db2.gz AHGZJKXGKCCIFN-UHFFFAOYSA-N 1 0 341.499 3.025 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000764625829 1302103339 /nfs/dbraw/zinc/10/33/39/1302103339.db2.gz MFFJZESQIRHWRG-FXAWDEMLSA-N 1 0 333.520 3.150 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C3CCCC3)CC2)cc1 ZINC000764685405 1302117186 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COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765357949 1302252381 /nfs/dbraw/zinc/25/23/81/1302252381.db2.gz FBTFGKNMRRPRCN-OAHLLOKOSA-N 1 0 341.455 3.359 20 10 EGCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000765862568 1302342791 /nfs/dbraw/zinc/34/27/91/1302342791.db2.gz WONJERBEDJHGTN-FUHWJXTLSA-N 1 0 349.494 3.187 20 10 EGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000765877667 1302344320 /nfs/dbraw/zinc/34/43/20/1302344320.db2.gz DVQVCSIWXBXIMP-OAHLLOKOSA-N 1 0 337.483 3.409 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)c1 ZINC000883286435 1302366326 /nfs/dbraw/zinc/36/63/26/1302366326.db2.gz SUCPFFISPZXTBD-CQSZACIVSA-N 1 0 325.412 3.081 20 10 EGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766580396 1302481778 /nfs/dbraw/zinc/48/17/78/1302481778.db2.gz FGONYWHJYZWATQ-PMPSAXMXSA-N 1 0 336.451 3.128 20 10 EGCDRO CCN1C[C@H](C[N@H+](C)Cc2cccc(OC)c2O)Oc2ccccc21 ZINC000768213202 1302855446 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CC(C)OC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768992077 1303027572 /nfs/dbraw/zinc/02/75/72/1303027572.db2.gz IKUXGHMLJNOPRZ-UHFFFAOYSA-N 1 0 336.451 3.052 20 10 EGCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769209260 1303070736 /nfs/dbraw/zinc/07/07/36/1303070736.db2.gz GRYOLVPEPDHTJU-NVXWUHKLSA-N 1 0 349.494 3.409 20 10 EGCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769210850 1303072028 /nfs/dbraw/zinc/07/20/28/1303072028.db2.gz UIUJRBPBNMEUSP-RDJZCZTQSA-N 1 0 348.487 3.308 20 10 EGCDRO Fc1cc(C[NH+]2CCc3ccccc3CC2)ccc1N1CCOCC1 ZINC000769413519 1303109504 /nfs/dbraw/zinc/10/95/04/1303109504.db2.gz SKYXODXVKFFVGT-UHFFFAOYSA-N 1 0 340.442 3.263 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)cc1F ZINC000769416314 1303109724 /nfs/dbraw/zinc/10/97/24/1303109724.db2.gz CRHFTMLLKJIIHB-INIZCTEOSA-N 1 0 334.435 3.206 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H](CC)CN1C(C)=O ZINC000769499608 1303128328 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CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897545845 1310372895 /nfs/dbraw/zinc/37/28/95/1310372895.db2.gz URVVKNIKESZWSI-MRXNPFEDSA-N 1 0 333.476 3.046 20 10 EGCDRO COCC[C@@H](CO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000798505846 1310374944 /nfs/dbraw/zinc/37/49/44/1310374944.db2.gz VPSDZEVRIHDIOZ-INIZCTEOSA-N 1 0 337.504 3.474 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000799145177 1310491612 /nfs/dbraw/zinc/49/16/12/1310491612.db2.gz YWXWTQPIGUPWJR-WBVHZDCISA-N 1 0 346.471 3.182 20 10 EGCDRO CCOc1ccccc1CN1CC[N@H+](Cc2ccccc2O)[C@H](C)C1 ZINC000799737747 1310609522 /nfs/dbraw/zinc/60/95/22/1310609522.db2.gz KSYIWGYYEYGAKC-QGZVFWFLSA-N 1 0 340.467 3.497 20 10 EGCDRO COc1ccc(C[N@H+](CCCO)Cc2cc(C)cc(OC)c2O)cc1 ZINC000898172852 1310615197 /nfs/dbraw/zinc/61/51/97/1310615197.db2.gz BWUWMAYAUIPEBK-UHFFFAOYSA-N 1 0 345.439 3.102 20 10 EGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000898449719 1310741685 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337.769 3.489 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(N(C)C)cc1 ZINC000839564450 1320938752 /nfs/dbraw/zinc/93/87/52/1320938752.db2.gz UQYUIUNPHIQLFG-AUUYWEPGSA-N 1 0 341.430 3.348 20 10 EGCDRO CCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000857758571 1328595114 /nfs/dbraw/zinc/59/51/14/1328595114.db2.gz KZYUQJYQVHWUEE-KRWDZBQOSA-N 1 0 331.504 3.414 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC000802655209 1317024096 /nfs/dbraw/zinc/02/40/96/1317024096.db2.gz VEAGDESAFZRJGE-IBGZPJMESA-N 1 0 334.460 3.437 20 10 EGCDRO Fc1cc(C[NH2+]Cc2ccc3cc[nH]c3c2)ccc1N1CCOCC1 ZINC000858101080 1328682912 /nfs/dbraw/zinc/68/29/12/1328682912.db2.gz YIPPIUBATPHLAI-UHFFFAOYSA-N 1 0 339.414 3.433 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000858118920 1328687277 /nfs/dbraw/zinc/68/72/77/1328687277.db2.gz CAMYOBKOXJOYLQ-UHFFFAOYSA-N 1 0 333.476 3.154 20 10 EGCDRO CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000957442864 1317364733 /nfs/dbraw/zinc/36/47/33/1317364733.db2.gz JUJWRVWSCJCKFU-CYBMUJFWSA-N 1 0 345.447 3.041 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1F ZINC000858142908 1328694813 /nfs/dbraw/zinc/69/48/13/1328694813.db2.gz QSNPEQQGYJNJMB-MRXNPFEDSA-N 1 0 326.412 3.090 20 10 EGCDRO Cc1nccn1CCCC[NH2+]Cc1c(O)cccc1Br ZINC000858145435 1328695381 /nfs/dbraw/zinc/69/53/81/1328695381.db2.gz UIHWBZQQQYIWBQ-UHFFFAOYSA-N 1 0 338.249 3.230 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1F ZINC000858146955 1328696183 /nfs/dbraw/zinc/69/61/83/1328696183.db2.gz SSHTVZLBDZMTIZ-UHFFFAOYSA-N 1 0 335.354 3.271 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc4n[nH]cc43)C2)cc1 ZINC000858182631 1328706200 /nfs/dbraw/zinc/70/62/00/1328706200.db2.gz ASQVADRVQHKBRJ-HNNXBMFYSA-N 1 0 336.439 3.188 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000807549305 1317570937 /nfs/dbraw/zinc/57/09/37/1317570937.db2.gz VBYWPEHBMPIOIS-KRWDZBQOSA-N 1 0 333.476 3.188 20 10 EGCDRO CN(C)c1ccc([C@H](CN[C@@H]2CCCc3scnc32)[NH+](C)C)cc1 ZINC000903448407 1317701980 /nfs/dbraw/zinc/70/19/80/1317701980.db2.gz OOMZQJQDBQPSQT-SJORKVTESA-N 1 0 344.528 3.479 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@]3(C)C=CCC3)C2)cc1C ZINC001020481573 1317715833 /nfs/dbraw/zinc/71/58/33/1317715833.db2.gz QGYMKPJBGQVHQC-ZWOKBUDYSA-N 1 0 328.456 3.097 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CC4(CCC4)C3)C2)cc1C ZINC001020486653 1317719956 /nfs/dbraw/zinc/71/99/56/1317719956.db2.gz JNUUBPXLXDTSFL-IYARVYRRSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC3(C)C)C2)cc1C ZINC001020491300 1317722785 /nfs/dbraw/zinc/72/27/85/1317722785.db2.gz GINWHISQWQQCQH-BRWVUGGUSA-N 1 0 330.472 3.177 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1 ZINC000808723477 1317723099 /nfs/dbraw/zinc/72/30/99/1317723099.db2.gz OUAXKYNMBYPWGT-DZLUEKEQSA-N 1 0 343.515 3.440 20 10 EGCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809713819 1317872829 /nfs/dbraw/zinc/87/28/29/1317872829.db2.gz MWUKYMWJIZPEJW-NSHDSACASA-N 1 0 328.815 3.065 20 10 EGCDRO CCOc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000809728158 1317879890 /nfs/dbraw/zinc/87/98/90/1317879890.db2.gz NICOEAGDXZLWRI-UHFFFAOYSA-N 1 0 328.456 3.355 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)ccc1N1CCOCC1 ZINC000809729703 1317881448 /nfs/dbraw/zinc/88/14/48/1317881448.db2.gz XGVNLJKTVPTSIZ-LJQANCHMSA-N 1 0 341.430 3.394 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CCCC2)ccc1N1CCCCC1 ZINC000810178144 1317969238 /nfs/dbraw/zinc/96/92/38/1317969238.db2.gz JBBCHNAUNZLLAI-QGZVFWFLSA-N 1 0 347.459 3.226 20 10 EGCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000810179601 1317970835 /nfs/dbraw/zinc/97/08/35/1317970835.db2.gz DGZBHRYVLBSHSS-GFCCVEGCSA-N 1 0 329.282 3.365 20 10 EGCDRO CC[C@H]([NH2+]CCCN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810208530 1317976612 /nfs/dbraw/zinc/97/66/12/1317976612.db2.gz WLJSFTCDMSUCHT-HNNXBMFYSA-N 1 0 346.393 3.174 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)COCC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810213288 1317977419 /nfs/dbraw/zinc/97/74/19/1317977419.db2.gz QMAMXADZQCIMLQ-HIFRSBDPSA-N 1 0 349.393 3.485 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(Br)ccc1O ZINC000810259333 1317987584 /nfs/dbraw/zinc/98/75/84/1317987584.db2.gz GWNIJUSBEWRJQH-YGRLFVJLSA-N 1 0 328.250 3.356 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H](O)COCc2ccccc2)cc1C ZINC000858332181 1328739146 /nfs/dbraw/zinc/73/91/46/1328739146.db2.gz GGVUHTIEHOVVSM-LJQANCHMSA-N 1 0 329.440 3.061 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000812772418 1318450817 /nfs/dbraw/zinc/45/08/17/1318450817.db2.gz MFECLBPFPCUZNB-AWEZNQCLSA-N 1 0 330.403 3.156 20 10 EGCDRO CN(C)c1ccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1F ZINC000812779145 1318452377 /nfs/dbraw/zinc/45/23/77/1318452377.db2.gz XARBKAMHIMRMAP-GOSISDBHSA-N 1 0 343.446 3.070 20 10 EGCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683219 1318619023 /nfs/dbraw/zinc/61/90/23/1318619023.db2.gz XRSVQZMTOKGFLV-AOOOYVTPSA-N 1 0 331.243 3.188 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000813791849 1318633169 /nfs/dbraw/zinc/63/31/69/1318633169.db2.gz KHORPIPKVOVRGP-OAHLLOKOSA-N 1 0 330.403 3.299 20 10 EGCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000814300674 1318719212 /nfs/dbraw/zinc/71/92/12/1318719212.db2.gz LITKPPJYKYTXMJ-QGZVFWFLSA-N 1 0 331.504 3.319 20 10 EGCDRO Cc1cc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)ccc1N(C)C ZINC000815009720 1318865637 /nfs/dbraw/zinc/86/56/37/1318865637.db2.gz KWSMMJXTMXZMGD-UHFFFAOYSA-N 1 0 331.504 3.045 20 10 EGCDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000815160368 1318917217 /nfs/dbraw/zinc/91/72/17/1318917217.db2.gz XWGYNXPDTPMKEI-WBMJQRKESA-N 1 0 330.394 3.412 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000815594023 1319024786 /nfs/dbraw/zinc/02/47/86/1319024786.db2.gz CZOXDJKWWDGPSG-SOUVJXGZSA-N 1 0 325.474 3.015 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000815638807 1319033572 /nfs/dbraw/zinc/03/35/72/1319033572.db2.gz FXKAXOZBVVRWIL-OAHLLOKOSA-N 1 0 342.439 3.088 20 10 EGCDRO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022675036 1319061183 /nfs/dbraw/zinc/06/11/83/1319061183.db2.gz NCAXMPYQKQYMME-ZJPYXAASSA-N 1 0 330.472 3.177 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)cc1C ZINC001022836883 1319132532 /nfs/dbraw/zinc/13/25/32/1319132532.db2.gz DSBXHPBVTNNPRK-ZSYWTGECSA-N 1 0 342.483 3.177 20 10 EGCDRO CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022913405 1319163494 /nfs/dbraw/zinc/16/34/94/1319163494.db2.gz NCANMYLQKJQHLW-AXVVYFOYSA-N 1 0 330.472 3.177 20 10 EGCDRO COC(=O)CC[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCCO1 ZINC000816513529 1319171370 /nfs/dbraw/zinc/17/13/70/1319171370.db2.gz TUESUYAOCBTVBM-KRWDZBQOSA-N 1 0 343.423 3.090 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)[C@]12CCCO2 ZINC000816569312 1319185723 /nfs/dbraw/zinc/18/57/23/1319185723.db2.gz HQJVZLJGXQPJIW-NLWGTHIKSA-N 1 0 327.424 3.362 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC2(CCOCC2)O1 ZINC000816594450 1319190060 /nfs/dbraw/zinc/19/00/60/1319190060.db2.gz DTOQMBGPUAMXMK-OAHLLOKOSA-N 1 0 327.424 3.315 20 10 EGCDRO CC(C)[NH+]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000915227248 1319448201 /nfs/dbraw/zinc/44/82/01/1319448201.db2.gz LRNCASLGSZHVFI-UHFFFAOYSA-N 1 0 346.475 3.111 20 10 EGCDRO C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000817890870 1319453849 /nfs/dbraw/zinc/45/38/49/1319453849.db2.gz ATTAFCCPJARZEH-IWMITWMQSA-N 1 0 337.467 3.319 20 10 EGCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897970 1319455718 /nfs/dbraw/zinc/45/57/18/1319455718.db2.gz YEPCWSWSWDVFAT-IEBWSBKVSA-N 1 0 345.531 3.312 20 10 EGCDRO Cc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000817938086 1319466675 /nfs/dbraw/zinc/46/66/75/1319466675.db2.gz DCEIKTPFCKXGDM-RDTXWAMCSA-N 1 0 342.443 3.320 20 10 EGCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938700 1319467060 /nfs/dbraw/zinc/46/70/60/1319467060.db2.gz QIRLBJVNXZNCHU-LIRRHRJNSA-N 1 0 325.456 3.038 20 10 EGCDRO COC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000817940720 1319469191 /nfs/dbraw/zinc/46/91/91/1319469191.db2.gz HLSPRKTXNDCLDP-RBUKOAKNSA-N 1 0 347.890 3.383 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C12CCCC2 ZINC000817941410 1319470317 /nfs/dbraw/zinc/47/03/17/1319470317.db2.gz JREPORAIAJJEFE-IPMKNSEASA-N 1 0 331.504 3.080 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000817944351 1319471491 /nfs/dbraw/zinc/47/14/91/1319471491.db2.gz ZQSSQYOGJNEQSD-MOPGFXCFSA-N 1 0 325.456 3.256 20 10 EGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1-c1ccccc1 ZINC000817943928 1319471512 /nfs/dbraw/zinc/47/15/12/1319471512.db2.gz WTXDDQRSWGWEIK-UZLBHIALSA-N 1 0 349.482 3.289 20 10 EGCDRO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Cl)ccc1O ZINC000817952774 1319474646 /nfs/dbraw/zinc/47/46/46/1319474646.db2.gz MHSUPTKWGLNDIZ-LBPRGKRZSA-N 1 0 332.835 3.023 20 10 EGCDRO CCC([NH3+])(CC)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817961021 1319478222 /nfs/dbraw/zinc/47/82/22/1319478222.db2.gz WJWVUEROELUOGB-AWEZNQCLSA-N 1 0 339.911 3.345 20 10 EGCDRO C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817965264 1319479594 /nfs/dbraw/zinc/47/95/94/1319479594.db2.gz SFLWSDGHFPBILH-QMMMGPOBSA-N 1 0 333.657 3.340 20 10 EGCDRO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)c(F)cc1[O-] ZINC000817980615 1319483862 /nfs/dbraw/zinc/48/38/62/1319483862.db2.gz LVOVGADQAUHTLE-GHMZBOCLSA-N 1 0 345.256 3.477 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3sc(C)nc3C)C2)cc1 ZINC000818220697 1319521751 /nfs/dbraw/zinc/52/17/51/1319521751.db2.gz JBLJLFDQCYMURD-HNNXBMFYSA-N 1 0 331.485 3.385 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000818219438 1319521877 /nfs/dbraw/zinc/52/18/77/1319521877.db2.gz FRYJYMKRYOVMAV-ZDUSSCGKSA-N 1 0 347.440 3.281 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@@H](OC)C34CCC4)C2)cc1 ZINC000818342240 1319530309 /nfs/dbraw/zinc/53/03/09/1319530309.db2.gz NPCMHEBXYBPPEP-AYOQOUSVSA-N 1 0 330.472 3.069 20 10 EGCDRO CCn1cc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000818345530 1319531958 /nfs/dbraw/zinc/53/19/58/1319531958.db2.gz VYOALSWWYNPPAX-HOTGVXAUSA-N 1 0 328.460 3.089 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000818941458 1319581898 /nfs/dbraw/zinc/58/18/98/1319581898.db2.gz JVZDPNYZSNAAPE-LJQANCHMSA-N 1 0 348.874 3.073 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000818964119 1319593274 /nfs/dbraw/zinc/59/32/74/1319593274.db2.gz LJJDRADWXMEDNO-FQEVSTJZSA-N 1 0 342.508 3.371 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC000818963978 1319593687 /nfs/dbraw/zinc/59/36/87/1319593687.db2.gz HGDVCIVILRITLG-IBGZPJMESA-N 1 0 346.471 3.202 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H](C)C3CC3)C2)cc1C ZINC000961685515 1319697536 /nfs/dbraw/zinc/69/75/36/1319697536.db2.gz IYLDTJKNQGQHBJ-MXWWQKGMSA-N 1 0 330.472 3.034 20 10 EGCDRO CC(C)n1cncc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000822438000 1320081899 /nfs/dbraw/zinc/08/18/99/1320081899.db2.gz AKBFDIITTBHKKB-GOSISDBHSA-N 1 0 329.444 3.351 20 10 EGCDRO CCOC(=O)CN(CCSC(C)(C)C)Cc1ccccc1O ZINC000823576349 1320187870 /nfs/dbraw/zinc/18/78/70/1320187870.db2.gz NKXVACHAEZVJJL-UHFFFAOYSA-N 1 0 325.474 3.289 20 10 EGCDRO CN(c1ccc(CNC(=O)C2([NH+](C)C)CC2)cc1)C1CCCCC1 ZINC000824251844 1320241939 /nfs/dbraw/zinc/24/19/39/1320241939.db2.gz WFRTYYBVPFWEQD-UHFFFAOYSA-N 1 0 329.488 3.166 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1Cl ZINC000824726024 1320280627 /nfs/dbraw/zinc/28/06/27/1320280627.db2.gz OVKXCULKFSBHRU-OAHLLOKOSA-N 1 0 336.863 3.331 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1Cl ZINC000824726464 1320280906 /nfs/dbraw/zinc/28/09/06/1320280906.db2.gz UNILUDZQWLPIOF-CYBMUJFWSA-N 1 0 346.862 3.271 20 10 EGCDRO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2cc(F)ccc2O)c(OC)c1 ZINC000824733208 1320281133 /nfs/dbraw/zinc/28/11/33/1320281133.db2.gz KMSOZPFIVHPUFK-GFCCVEGCSA-N 1 0 349.402 3.278 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCc3scnc3C)CC2)cc1 ZINC000824738556 1320281529 /nfs/dbraw/zinc/28/15/29/1320281529.db2.gz OKHDWXIWRDPVGE-UHFFFAOYSA-N 1 0 331.485 3.261 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)c1O ZINC000824815027 1320287965 /nfs/dbraw/zinc/28/79/65/1320287965.db2.gz HOOAMHALEKTRIJ-GWCFXTLKSA-N 1 0 344.249 3.020 20 10 EGCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC000824856437 1320291334 /nfs/dbraw/zinc/29/13/34/1320291334.db2.gz XHZDYEPJEPVXDG-IAGOWNOFSA-N 1 0 339.863 3.106 20 10 EGCDRO COc1cc(C[NH+]2CCC(CCC(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824851258 1320291622 /nfs/dbraw/zinc/29/16/22/1320291622.db2.gz XJAONTPAGGNFDS-UHFFFAOYSA-N 1 0 348.487 3.176 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1ccsc1 ZINC000825291306 1320324213 /nfs/dbraw/zinc/32/42/13/1320324213.db2.gz JEJYYJWYNRYGKD-AWEZNQCLSA-N 1 0 342.258 3.214 20 10 EGCDRO OCC[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1cccs1 ZINC000825292065 1320324572 /nfs/dbraw/zinc/32/45/72/1320324572.db2.gz TXTHKFNXBQGKJB-GFCCVEGCSA-N 1 0 342.258 3.430 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1 ZINC000825325322 1320327762 /nfs/dbraw/zinc/32/77/62/1320327762.db2.gz AONULZGEBMBUCI-PKOBYXMFSA-N 1 0 342.487 3.276 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CCCO)C2)c(C(F)(F)F)c1 ZINC000825338156 1320329349 /nfs/dbraw/zinc/32/93/49/1320329349.db2.gz MORBCWUWLNFBBC-ZDUSSCGKSA-N 1 0 330.394 3.366 20 10 EGCDRO OC[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)CC1CC1 ZINC000827359593 1320447744 /nfs/dbraw/zinc/44/77/44/1320447744.db2.gz QBOUDUUEMCBIDM-SFHVURJKSA-N 1 0 341.451 3.469 20 10 EGCDRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(C)n1-c1ccccn1 ZINC000837187280 1320583614 /nfs/dbraw/zinc/58/36/14/1320583614.db2.gz YOOYPKYSKMFODC-KRWDZBQOSA-N 1 0 340.471 3.044 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1O ZINC000839540223 1320934876 /nfs/dbraw/zinc/93/48/76/1320934876.db2.gz IZAFYHKQMDPXCU-IRXDYDNUSA-N 1 0 328.387 3.378 20 10 EGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000839666357 1320956381 /nfs/dbraw/zinc/95/63/81/1320956381.db2.gz LIXIFLRCKZJNBO-QGZVFWFLSA-N 1 0 339.819 3.023 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1C(C)C ZINC000840146670 1321037704 /nfs/dbraw/zinc/03/77/04/1321037704.db2.gz LPMZBQWYNRKIFT-INIZCTEOSA-N 1 0 333.476 3.060 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000840555296 1321107446 /nfs/dbraw/zinc/10/74/46/1321107446.db2.gz GYQRHUDNJPMLQD-SFHVURJKSA-N 1 0 345.531 3.374 20 10 EGCDRO COC(=O)c1cnc([C@H](C)[NH2+]CCCSc2nccs2)s1 ZINC000840721349 1321134484 /nfs/dbraw/zinc/13/44/84/1321134484.db2.gz BZHLRUIQEPFQRE-VIFPVBQESA-N 1 0 343.499 3.219 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c(O)c1C ZINC000840797150 1321150486 /nfs/dbraw/zinc/15/04/86/1321150486.db2.gz IOYHCARAKKZALE-WBVHZDCISA-N 1 0 349.471 3.075 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(C)C ZINC000840879206 1321167934 /nfs/dbraw/zinc/16/79/34/1321167934.db2.gz MDFFGAWOWAQTJG-DKSSEZFCSA-N 1 0 338.467 3.108 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)ccc1O ZINC000840882405 1321169654 /nfs/dbraw/zinc/16/96/54/1321169654.db2.gz NUIHIWPQEYXTCN-MEDUHNTESA-N 1 0 332.350 3.127 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000840890788 1321171806 /nfs/dbraw/zinc/17/18/06/1321171806.db2.gz OPPHRJIRRASYLA-GHMZBOCLSA-N 1 0 343.265 3.027 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000840920959 1321178293 /nfs/dbraw/zinc/17/82/93/1321178293.db2.gz QIFUYLOVVDIZQL-KRWDZBQOSA-N 1 0 339.487 3.436 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000840936078 1321180924 /nfs/dbraw/zinc/18/09/24/1321180924.db2.gz GMDOLDJQOLBEBD-UHFFFAOYSA-N 1 0 326.366 3.110 20 10 EGCDRO Cc1noc(C2(C)CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)n1 ZINC000840935946 1321181221 /nfs/dbraw/zinc/18/12/21/1321181221.db2.gz CRXASUKXLNOMDY-UHFFFAOYSA-N 1 0 328.460 3.306 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3ccncn3)CC2)c1O ZINC000840953659 1321185657 /nfs/dbraw/zinc/18/56/57/1321185657.db2.gz ZZGXGJBFALSCDJ-UHFFFAOYSA-N 1 0 333.819 3.224 20 10 EGCDRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(N(C)C)cc1C ZINC000840952909 1321185896 /nfs/dbraw/zinc/18/58/96/1321185896.db2.gz JCQBRPWPZHTWGL-UHFFFAOYSA-N 1 0 344.503 3.060 20 10 EGCDRO COc1cc(OCC[NH+](C)C)ccc1NCc1cccc(C)c1O ZINC000840958812 1321186571 /nfs/dbraw/zinc/18/65/71/1321186571.db2.gz OGGCICBKYVHQLI-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)c1O ZINC000840977518 1321192567 /nfs/dbraw/zinc/19/25/67/1321192567.db2.gz VFRNSARNHLJLJS-HNNXBMFYSA-N 1 0 328.456 3.496 20 10 EGCDRO COc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000841044918 1321208504 /nfs/dbraw/zinc/20/85/04/1321208504.db2.gz ZVYSNIFXUXFULC-SFHVURJKSA-N 1 0 333.863 3.204 20 10 EGCDRO C[C@]1(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000841056611 1321210937 /nfs/dbraw/zinc/21/09/37/1321210937.db2.gz HEAKNUJQJUBJHE-IBGZPJMESA-N 1 0 346.475 3.064 20 10 EGCDRO COc1cccc(O)c1C[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000841083202 1321215793 /nfs/dbraw/zinc/21/57/93/1321215793.db2.gz PRHWPZLTKUECHQ-HNNXBMFYSA-N 1 0 328.412 3.375 20 10 EGCDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(N)cc1 ZINC000841301706 1321250026 /nfs/dbraw/zinc/25/00/26/1321250026.db2.gz WJXUIFSOWBDSEN-UHFFFAOYSA-N 1 0 326.444 3.384 20 10 EGCDRO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000841301414 1321250158 /nfs/dbraw/zinc/25/01/58/1321250158.db2.gz OELUTYUDTYLIES-AWEZNQCLSA-N 1 0 344.484 3.364 20 10 EGCDRO Cc1sccc1/C=C1/SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000841495417 1321279078 /nfs/dbraw/zinc/27/90/78/1321279078.db2.gz HPOBHIACYPJUCI-UKTHLTGXSA-N 1 0 338.523 3.352 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841745068 1321305783 /nfs/dbraw/zinc/30/57/83/1321305783.db2.gz NBYQYCXGCWXLEP-UKRRQHHQSA-N 1 0 335.831 3.445 20 10 EGCDRO CN(c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1)C1CCCCC1 ZINC000841757088 1321307436 /nfs/dbraw/zinc/30/74/36/1321307436.db2.gz DQMYGSKTHHIFSZ-KRWDZBQOSA-N 1 0 344.503 3.007 20 10 EGCDRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000841881076 1321325635 /nfs/dbraw/zinc/32/56/35/1321325635.db2.gz NUROPAMPBWGYPS-KBXCAEBGSA-N 1 0 332.492 3.020 20 10 EGCDRO CC(C)[NH2+]CCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841933844 1321330947 /nfs/dbraw/zinc/33/09/47/1321330947.db2.gz LIEOCBZYXMRQQC-UHFFFAOYSA-N 1 0 346.519 3.206 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000841997184 1321334473 /nfs/dbraw/zinc/33/44/73/1321334473.db2.gz KBXHAOSEQBOCDS-MRXNPFEDSA-N 1 0 334.508 3.190 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(Br)cc1O ZINC000842892298 1321445826 /nfs/dbraw/zinc/44/58/26/1321445826.db2.gz AVOUVWBJDLZMRE-LLVKDONJSA-N 1 0 336.229 3.498 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000843051279 1321461669 /nfs/dbraw/zinc/46/16/69/1321461669.db2.gz GTJBZFUTAPTQJA-RISCZKNCSA-N 1 0 327.266 3.022 20 10 EGCDRO COc1cc(CN2CCCc3cc(C[NH3+])ccc32)cc(OC)c1OC ZINC000843057470 1321463966 /nfs/dbraw/zinc/46/39/66/1321463966.db2.gz NWXUTPTVFOIWSI-UHFFFAOYSA-N 1 0 342.439 3.124 20 10 EGCDRO Cc1cc(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000843299555 1321500055 /nfs/dbraw/zinc/50/00/55/1321500055.db2.gz XRMQLFBDNTZBML-SFHVURJKSA-N 1 0 325.456 3.108 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000843323748 1321501450 /nfs/dbraw/zinc/50/14/50/1321501450.db2.gz BRBMLEGCTOYUMA-GOEBONIOSA-N 1 0 343.446 3.351 20 10 EGCDRO Cc1cc(C(=O)CN(C)C2CC[NH2+]CC2)c(C)n1-c1ccc(C)cc1 ZINC000843347159 1321502995 /nfs/dbraw/zinc/50/29/95/1321502995.db2.gz UKDNJKSJSCSICT-UHFFFAOYSA-N 1 0 339.483 3.269 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1O ZINC000843417435 1321514431 /nfs/dbraw/zinc/51/44/31/1321514431.db2.gz UFCQLZLKKHLLDK-WFASDCNBSA-N 1 0 325.836 3.445 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC2(CCCC2)O1 ZINC000843434770 1321518430 /nfs/dbraw/zinc/51/84/30/1321518430.db2.gz NTKNLYPFANNJIJ-KRWDZBQOSA-N 1 0 330.472 3.057 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)c1O ZINC000845969381 1321759964 /nfs/dbraw/zinc/75/99/64/1321759964.db2.gz DDESPFSBQCNAHM-UHFFFAOYSA-N 1 0 337.423 3.493 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)COCC2CC2)c1O ZINC000846074101 1321766718 /nfs/dbraw/zinc/76/67/18/1321766718.db2.gz WXUOHIQAOSHRBD-NSHDSACASA-N 1 0 328.250 3.368 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000846141938 1321770583 /nfs/dbraw/zinc/77/05/83/1321770583.db2.gz BXQRVIGWYHVINC-ZFWWWQNUSA-N 1 0 333.403 3.042 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c1O ZINC000846139592 1321770653 /nfs/dbraw/zinc/77/06/53/1321770653.db2.gz WVWBZFWWQOGYSO-OAHLLOKOSA-N 1 0 337.423 3.480 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1O ZINC000846145663 1321771441 /nfs/dbraw/zinc/77/14/41/1321771441.db2.gz NZBNQTIGIZESKX-CYBMUJFWSA-N 1 0 338.448 3.308 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c1O ZINC000846150473 1321772182 /nfs/dbraw/zinc/77/21/82/1321772182.db2.gz PRGFIGXBHYMOAO-AWEZNQCLSA-N 1 0 332.419 3.323 20 10 EGCDRO Cc1cc(C(=O)NCCC2(C[NH3+])CC2)c(C)n1-c1cccc(C)c1 ZINC000846692588 1321801533 /nfs/dbraw/zinc/80/15/33/1321801533.db2.gz ULMJFOZXEINHJN-UHFFFAOYSA-N 1 0 325.456 3.261 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c(C)n1-c1ccccn1 ZINC000846694499 1321801554 /nfs/dbraw/zinc/80/15/54/1321801554.db2.gz PVPFOKWEKJNUAR-KBXCAEBGSA-N 1 0 340.471 3.079 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccnc(OC)c3)C2)cc1 ZINC000848552971 1321975577 /nfs/dbraw/zinc/97/55/77/1321975577.db2.gz GXFVIGLVWDGQMQ-HOTGVXAUSA-N 1 0 341.455 3.276 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)c1O ZINC000848560156 1321976420 /nfs/dbraw/zinc/97/64/20/1321976420.db2.gz ZGCCUXRMQUHYOK-LRDDRELGSA-N 1 0 326.396 3.005 20 10 EGCDRO CCc1cccc(C[N@H+](CC)CC(=O)Nc2ccccc2OC)c1O ZINC000848876798 1322026642 /nfs/dbraw/zinc/02/66/42/1322026642.db2.gz NCSQMDVZJWMLQL-UHFFFAOYSA-N 1 0 342.439 3.424 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000848882169 1322028310 /nfs/dbraw/zinc/02/83/10/1322028310.db2.gz MGPLJPBAMIGFJA-UHFFFAOYSA-N 1 0 330.472 3.179 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c1O ZINC000848893359 1322033079 /nfs/dbraw/zinc/03/30/79/1322033079.db2.gz VASXVUWMFICXII-SFHVURJKSA-N 1 0 344.455 3.019 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)c(O)c1 ZINC000848908581 1322041354 /nfs/dbraw/zinc/04/13/54/1322041354.db2.gz XTYQQDPFHNSONM-UHFFFAOYSA-N 1 0 337.423 3.493 20 10 EGCDRO COc1ccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)c(O)c1 ZINC000849095538 1322076708 /nfs/dbraw/zinc/07/67/08/1322076708.db2.gz BMOZMIHGBFCOSS-UHFFFAOYSA-N 1 0 329.400 3.324 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)c(O)c(C(C)(C)C)c1 ZINC000850030696 1322185265 /nfs/dbraw/zinc/18/52/65/1322185265.db2.gz LSSFQIGVQRDKNI-QZTJIDSGSA-N 1 0 332.488 3.415 20 10 EGCDRO c1c2ccncc2sc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850069502 1322189535 /nfs/dbraw/zinc/18/95/35/1322189535.db2.gz OFMKKYDKXCQOBD-UHFFFAOYSA-N 1 0 339.464 3.423 20 10 EGCDRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c(O)c(C(C)(C)C)c1 ZINC000850155668 1322200418 /nfs/dbraw/zinc/20/04/18/1322200418.db2.gz GOSLSBURNRGYFS-MRXNPFEDSA-N 1 0 333.428 3.423 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(COCc1ccccc1)OC ZINC000850357782 1322233388 /nfs/dbraw/zinc/23/33/88/1322233388.db2.gz VGUGVIMCDYHOIX-HXUWFJFHSA-N 1 0 345.439 3.112 20 10 EGCDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1cccc(OC)c1 ZINC000850513616 1322259707 /nfs/dbraw/zinc/25/97/07/1322259707.db2.gz HQDYTRXQBLRMEW-DYVFJYSZSA-N 1 0 331.412 3.448 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c(O)c1C ZINC000850532118 1322261837 /nfs/dbraw/zinc/26/18/37/1322261837.db2.gz PXCRZESJTBODSJ-OAHLLOKOSA-N 1 0 339.501 3.407 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN2Cc2ccccc2)c1O ZINC000850579522 1322272046 /nfs/dbraw/zinc/27/20/46/1322272046.db2.gz VXIDVPZNLGQJMX-NVXWUHKLSA-N 1 0 326.440 3.326 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(NC(N)=O)cc1 ZINC000921738563 1322388029 /nfs/dbraw/zinc/38/80/29/1322388029.db2.gz RNDQSJXRMWIDQC-CYBMUJFWSA-N 1 0 325.412 3.353 20 10 EGCDRO C[C@@H]1CN(CC[N@H+](Cc2ccco2)Cc2ccccc2O)C[C@@H](C)O1 ZINC000851840166 1323099916 /nfs/dbraw/zinc/09/99/16/1323099916.db2.gz AUAKKYNRWBPYOP-IAGOWNOFSA-N 1 0 344.455 3.097 20 10 EGCDRO COC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1cccc(OC)c1 ZINC000852446829 1323195234 /nfs/dbraw/zinc/19/52/34/1323195234.db2.gz SCCZILXBCGRQJD-SFHVURJKSA-N 1 0 347.386 3.220 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025632468 1324484830 /nfs/dbraw/zinc/48/48/30/1324484830.db2.gz KRRQKOGOZCMWED-UKRRQHHQSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cccs3)C2)cc1C ZINC001026659075 1324957877 /nfs/dbraw/zinc/95/78/77/1324957877.db2.gz PDKOFGNHQPMOKJ-INIZCTEOSA-N 1 0 344.480 3.317 20 10 EGCDRO C[NH2+]C[C@@H](C)NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000853248347 1325071676 /nfs/dbraw/zinc/07/16/76/1325071676.db2.gz DLKSQZVMTAGOIK-CYBMUJFWSA-N 1 0 340.309 3.137 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H](C)C3CC3)C2)cc1C ZINC001027237454 1325330501 /nfs/dbraw/zinc/33/05/01/1325330501.db2.gz PDQASHQRHNOMPB-YJBOKZPZSA-N 1 0 344.499 3.378 20 10 EGCDRO CCOc1ccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000856813431 1325530401 /nfs/dbraw/zinc/53/04/01/1325530401.db2.gz VGWWZUPUFYPGLY-ZDUSSCGKSA-N 1 0 338.448 3.184 20 10 EGCDRO CN(C)c1cc(F)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000862248143 1329471075 /nfs/dbraw/zinc/47/10/75/1329471075.db2.gz IMFNLRUXJGVRRZ-OAHLLOKOSA-N 1 0 337.458 3.339 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000862250479 1329471683 /nfs/dbraw/zinc/47/16/83/1329471683.db2.gz OZVKOOXBZPGIKY-CYBMUJFWSA-N 1 0 340.261 3.403 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1F ZINC000862349128 1329476549 /nfs/dbraw/zinc/47/65/49/1329476549.db2.gz PULUWAQMHFSGQO-ZDUSSCGKSA-N 1 0 334.414 3.144 20 10 EGCDRO Oc1cccc(Br)c1CN1CCOC[C@H]1C1CCC1 ZINC000862400286 1329482733 /nfs/dbraw/zinc/48/27/33/1329482733.db2.gz SFSNUHFGJXPCSE-AWEZNQCLSA-N 1 0 326.234 3.156 20 10 EGCDRO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)C1(F)F ZINC000862442273 1329487727 /nfs/dbraw/zinc/48/77/27/1329487727.db2.gz HIWGYBOOGONRPY-OKILXGFUSA-N 1 0 342.405 3.385 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccccc1O)CC(F)(F)F ZINC000865442730 1329698047 /nfs/dbraw/zinc/69/80/47/1329698047.db2.gz QUSGCCBTMQAXHS-LBPRGKRZSA-N 1 0 348.365 3.328 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+][C@@H]2COCC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000865749043 1329734850 /nfs/dbraw/zinc/73/48/50/1329734850.db2.gz ARERNYIHPUBAJG-IAGOWNOFSA-N 1 0 335.488 3.227 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2F)c(O)c1 ZINC000865786420 1329738345 /nfs/dbraw/zinc/73/83/45/1329738345.db2.gz CYPYAYGLNRSBGB-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)CC[NH2+]C(C)(C)C)cc2)CC1 ZINC000932297489 1329804008 /nfs/dbraw/zinc/80/40/08/1329804008.db2.gz RGSZVQHETIAXPD-UHFFFAOYSA-N 1 0 331.504 3.317 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@H](O)C(F)(F)F ZINC000866464773 1330115880 /nfs/dbraw/zinc/11/58/80/1330115880.db2.gz YPHMAYTWBWRTMJ-CVJICSNFSA-N 1 0 342.155 3.117 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccnc(N3CCSCC3)c1)CC2 ZINC000866474766 1330116686 /nfs/dbraw/zinc/11/66/86/1330116686.db2.gz SIQAZXVPZOUUCO-INIZCTEOSA-N 1 0 341.480 3.118 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)cc1C ZINC000969307462 1336197439 /nfs/dbraw/zinc/19/74/39/1336197439.db2.gz NGATUMIYDTZPTM-KZNAEPCWSA-N 1 0 344.499 3.376 20 10 EGCDRO Cc1cc(Br)cc(CN2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206371716 1371036534 /nfs/dbraw/zinc/03/65/34/1371036534.db2.gz VJMAQFICSMVBLX-HNNXBMFYSA-N 1 0 345.256 3.116 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3C=CCC3)C2)cc1C ZINC001018482390 1339637401 /nfs/dbraw/zinc/63/74/01/1339637401.db2.gz RLMFODDOSUNZHR-WMZOPIPTSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(C)cs3)C2)cc1C ZINC001018819400 1339734556 /nfs/dbraw/zinc/73/45/56/1339734556.db2.gz SUOXCSDBFSGPGO-INIZCTEOSA-N 1 0 344.480 3.378 20 10 EGCDRO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699910 1341966527 /nfs/dbraw/zinc/96/65/27/1341966527.db2.gz RXFHZIGBSSXFHC-INIZCTEOSA-N 1 0 345.447 3.041 20 10 EGCDRO CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001034800215 1342766395 /nfs/dbraw/zinc/76/63/95/1342766395.db2.gz ASSPXIKLDXXJHI-SHTZXODSSA-N 1 0 345.447 3.136 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CC2CCC2)cc1C ZINC001034897676 1342826367 /nfs/dbraw/zinc/82/63/67/1342826367.db2.gz QGWGDKJSWRBKJF-GOSISDBHSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C(C)(C)F)cc1C ZINC001036925683 1343868845 /nfs/dbraw/zinc/86/88/45/1343868845.db2.gz NGPFWAPFELVFOE-CVEARBPZSA-N 1 0 336.451 3.126 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(C)F)[C@@H](C)C2)cc1C ZINC001044414328 1346321825 /nfs/dbraw/zinc/32/18/25/1346321825.db2.gz UFQCXVKLXAJNPF-HOCLYGCPSA-N 1 0 336.451 3.221 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](F)C(C)C)cc1C ZINC001045156706 1346509267 /nfs/dbraw/zinc/50/92/67/1346509267.db2.gz HXRHPUDLRNWPOT-FUHWJXTLSA-N 1 0 336.451 3.078 20 10 EGCDRO CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862844 1347135360 /nfs/dbraw/zinc/13/53/60/1347135360.db2.gz QYWCQQPQBXZUIF-SFHVURJKSA-N 1 0 343.431 3.009 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CC(C)C)C2)cc1C ZINC001047684231 1347329168 /nfs/dbraw/zinc/32/91/68/1347329168.db2.gz SQLQPOYYVDQKSM-FUHWJXTLSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C=C(C)C)C2)cc1C ZINC001047695646 1347336131 /nfs/dbraw/zinc/33/61/31/1347336131.db2.gz SUYORISIGMOPPI-WMZOPIPTSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3=CCCC3)C[C@@H]2C)cc1C ZINC001054564576 1349400481 /nfs/dbraw/zinc/40/04/81/1349400481.db2.gz JRFZBXHIIGUVHQ-YJBOKZPZSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(C)CCC3)C[C@H]2C)cc1C ZINC001054980087 1349535903 /nfs/dbraw/zinc/53/59/03/1349535903.db2.gz ZQUSOZGUEHXDOV-NVXWUHKLSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001086813363 1359206599 /nfs/dbraw/zinc/20/65/99/1359206599.db2.gz CIOUAHGAYFDINA-KSZLIROESA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC001091276783 1361029440 /nfs/dbraw/zinc/02/94/40/1361029440.db2.gz VTWYWFMQCPXNSY-SOTJZCEJSA-N 1 0 342.483 3.034 20 10 EGCDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001324459926 1387629467 /nfs/dbraw/zinc/62/94/67/1387629467.db2.gz YPPQYGWXAFGTKV-MJGOQNOKSA-N 1 0 340.471 3.030 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(COc3cccnc3)CC2)c1O ZINC001203602906 1370184619 /nfs/dbraw/zinc/18/46/19/1370184619.db2.gz BOOIIGSISWOIRU-UHFFFAOYSA-N 1 0 342.439 3.477 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(Cc3ccc(C)cc3)CC2)c1O ZINC001203608974 1370186770 /nfs/dbraw/zinc/18/67/70/1370186770.db2.gz DKMONGXCPWLLJM-UHFFFAOYSA-N 1 0 340.467 3.417 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(O)c1 ZINC001203627529 1370192111 /nfs/dbraw/zinc/19/21/11/1370192111.db2.gz HLYWWEUTSKWAGJ-YLJYHZDGSA-N 1 0 338.451 3.107 20 10 EGCDRO COc1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)c(O)c1 ZINC001203628028 1370193360 /nfs/dbraw/zinc/19/33/60/1370193360.db2.gz WFFASNJKTBGART-UHFFFAOYSA-N 1 0 339.391 3.063 20 10 EGCDRO C[C@@]1(CO)CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC001203635841 1370195952 /nfs/dbraw/zinc/19/59/52/1370195952.db2.gz ICXSGHMJUPLQFS-OAHLLOKOSA-N 1 0 328.250 3.139 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001203665807 1370208754 /nfs/dbraw/zinc/20/87/54/1370208754.db2.gz VNTBPUDIEMOVNR-UHFFFAOYSA-N 1 0 337.782 3.018 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)c1 ZINC001203680300 1370216326 /nfs/dbraw/zinc/21/63/26/1370216326.db2.gz NSMGEDGGYZMFOV-HXUWFJFHSA-N 1 0 327.424 3.457 20 10 EGCDRO CN(Cc1ccc(O)c(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001203874702 1370296377 /nfs/dbraw/zinc/29/63/77/1370296377.db2.gz BNPOTFLAXSXSLT-UHFFFAOYSA-N 1 0 326.440 3.194 20 10 EGCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203929553 1370317780 /nfs/dbraw/zinc/31/77/80/1370317780.db2.gz GCMAKUCSIYVLPD-MRXNPFEDSA-N 1 0 347.503 3.441 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(COc3cccnc3)CC2)cc1 ZINC001203930800 1370319191 /nfs/dbraw/zinc/31/91/91/1370319191.db2.gz IDSBCQLACNRKFS-UHFFFAOYSA-N 1 0 325.456 3.439 20 10 EGCDRO COc1ccc(OC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)nc1 ZINC001203935409 1370321115 /nfs/dbraw/zinc/32/11/15/1370321115.db2.gz HBRXHTMOKKFYJB-UHFFFAOYSA-N 1 0 341.455 3.200 20 10 EGCDRO CN(C)c1ccc(CN2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001203934600 1370321466 /nfs/dbraw/zinc/32/14/66/1370321466.db2.gz WZKDXXMPIPBBEI-UNMCSNQZSA-N 1 0 335.495 3.459 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)cc1 ZINC001203937706 1370322030 /nfs/dbraw/zinc/32/20/30/1370322030.db2.gz NRGMRSVFWKPITM-UHFFFAOYSA-N 1 0 333.476 3.099 20 10 EGCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204239635 1370419158 /nfs/dbraw/zinc/41/91/58/1370419158.db2.gz AUTIXFKHQALTCM-QGZVFWFLSA-N 1 0 339.483 3.396 20 10 EGCDRO O=C(c1ccccc1F)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278077 1370430033 /nfs/dbraw/zinc/43/00/33/1370430033.db2.gz SCMNHOLTWRWQHU-UHFFFAOYSA-N 1 0 329.371 3.332 20 10 EGCDRO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)Cc1ccc(O)cc1O ZINC001204281535 1370431304 /nfs/dbraw/zinc/43/13/04/1370431304.db2.gz UUYNHQKTAXOAPT-JXFKEZNVSA-N 1 0 340.467 3.440 20 10 EGCDRO Cc1ccnc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001204322560 1370444000 /nfs/dbraw/zinc/44/40/00/1370444000.db2.gz RYWGOEQBABDYCW-UHFFFAOYSA-N 1 0 336.483 3.312 20 10 EGCDRO CC[C@H]1[N@H+](Cc2ccc(N3CCCC3)cc2)CCC[C@]12CCC(=O)N2 ZINC001204322701 1370444038 /nfs/dbraw/zinc/44/40/38/1370444038.db2.gz MNHNRRRXMCCQLC-CTNGQTDRSA-N 1 0 341.499 3.310 20 10 EGCDRO COc1cccc(CCC[N@H+](C)Cc2cc(O)c(O)c(OC)c2)c1 ZINC001204346132 1370449580 /nfs/dbraw/zinc/44/95/80/1370449580.db2.gz LJJWDFUOEGEXEF-UHFFFAOYSA-N 1 0 331.412 3.180 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c2ccccc21 ZINC001206221485 1370996508 /nfs/dbraw/zinc/99/65/08/1370996508.db2.gz HMFCASYQNCYBAW-QGZVFWFLSA-N 1 0 337.389 3.371 20 10 EGCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001206327478 1371023824 /nfs/dbraw/zinc/02/38/24/1371023824.db2.gz WXNBQIILKOIOJK-OAHLLOKOSA-N 1 0 345.256 3.245 20 10 EGCDRO CCN(c1ccccc1)c1cc(-c2cnn(CC[NH+](C)C)c2)ncn1 ZINC001206332191 1371025527 /nfs/dbraw/zinc/02/55/27/1371025527.db2.gz FQWNXIITRVTFJA-UHFFFAOYSA-N 1 0 336.443 3.060 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(O)cc1Br ZINC001206338214 1371027189 /nfs/dbraw/zinc/02/71/89/1371027189.db2.gz YGLNQOGJONYVEU-INIZCTEOSA-N 1 0 341.293 3.414 20 10 EGCDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001119120494 1371279341 /nfs/dbraw/zinc/27/93/41/1371279341.db2.gz FWIOSDNXJDHHBD-OAHLLOKOSA-N 1 0 341.455 3.404 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CCN(CC(C)(C)C[NH+](C)C)C1 ZINC001207286470 1371351584 /nfs/dbraw/zinc/35/15/84/1371351584.db2.gz SSOYRTVOCMWRCO-UHFFFAOYSA-N 1 0 329.488 3.133 20 10 EGCDRO FC(F)(F)Oc1ccc(N2CC[NH+](C[C@H]3CCCOC3)CC2)cc1 ZINC001207469274 1371404145 /nfs/dbraw/zinc/40/41/45/1371404145.db2.gz LFNJLVGORINGDC-CQSZACIVSA-N 1 0 344.377 3.134 20 10 EGCDRO CC/C=C(/C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207566173 1371437599 /nfs/dbraw/zinc/43/75/99/1371437599.db2.gz OETRAYCTYVFTNA-GQJZTYNYSA-N 1 0 330.472 3.441 20 10 EGCDRO C/C=C(\C)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(OC)c(C)c1)C2 ZINC001120925756 1371811940 /nfs/dbraw/zinc/81/19/40/1371811940.db2.gz IYWFIBAFLZRTCM-LHHJGKSTSA-N 1 0 342.483 3.487 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCc3cccnc3)CC2)c(C)c1 ZINC001209186607 1372030032 /nfs/dbraw/zinc/03/00/32/1372030032.db2.gz ZASZIAQSIFJIKB-UHFFFAOYSA-N 1 0 325.456 3.153 20 10 EGCDRO CC/C(C)=C\C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214575672 1373083290 /nfs/dbraw/zinc/08/32/90/1373083290.db2.gz JKQXJWBTIRNVME-QCSNOBLSSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2csc(C)c2C)cc1C ZINC001128140467 1373222784 /nfs/dbraw/zinc/22/27/84/1373222784.db2.gz VDOLSNIJFQGPQK-UHFFFAOYSA-N 1 0 332.469 3.202 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(F)c(C)cc2F)cc1C ZINC001129968021 1373441201 /nfs/dbraw/zinc/44/12/01/1373441201.db2.gz UYBYADJTRYKRPV-UHFFFAOYSA-N 1 0 348.393 3.110 20 10 EGCDRO [NH3+][C@@H](c1ccccc1)[C@@H](O)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217729066 1373496399 /nfs/dbraw/zinc/49/63/99/1373496399.db2.gz XBNCSPRCONRHOI-ZWKOTPCHSA-N 1 0 346.390 3.261 20 10 EGCDRO CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@H]2C[NH2+]C[C@@H]2F)c1 ZINC001218017599 1373539172 /nfs/dbraw/zinc/53/91/72/1373539172.db2.gz VBYWUEWMBGLPKJ-IHBLEOSZSA-N 1 0 329.379 3.252 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(C)cc(F)cc2C)cc1C ZINC001132239305 1375234294 /nfs/dbraw/zinc/23/42/94/1375234294.db2.gz DMJJVRKUSXCNES-UHFFFAOYSA-N 1 0 344.430 3.279 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC(C)=O)cc1C ZINC001133665836 1376144310 /nfs/dbraw/zinc/14/43/10/1376144310.db2.gz AVQWGCFOWAJVSI-HZPDHXFCSA-N 1 0 348.487 3.136 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2=COCCC2)cc1C ZINC001133920005 1376263821 /nfs/dbraw/zinc/26/38/21/1376263821.db2.gz AHPFQRAXDPGEFK-CVEARBPZSA-N 1 0 346.471 3.071 20 10 EGCDRO COc1ccc(Br)c(C[N@@H+]2CC[C@H](OC(C)C)C2)c1O ZINC001231556622 1376264437 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332.444 3.142 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)cc1O ZINC001231633572 1376287470 /nfs/dbraw/zinc/28/74/70/1376287470.db2.gz PIUYSGDAATVFIL-UHFFFAOYSA-N 1 0 348.830 3.082 20 10 EGCDRO Cc1cc(C)c(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c(O)c1 ZINC001231846098 1376325796 /nfs/dbraw/zinc/32/57/96/1376325796.db2.gz GGIBJQQHAKDXRC-UHFFFAOYSA-N 1 0 339.439 3.359 20 10 EGCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)nc1 ZINC001231870823 1376331616 /nfs/dbraw/zinc/33/16/16/1376331616.db2.gz AVDXLZAHSULBFZ-OAHLLOKOSA-N 1 0 348.830 3.411 20 10 EGCDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cccc(Cl)c3[O-])O2)n1 ZINC001231910091 1376346395 /nfs/dbraw/zinc/34/63/95/1376346395.db2.gz KOJUWDMBBHCLKM-RBSFLKMASA-N 1 0 349.818 3.232 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)nc(C)c3)CC2)c(C)c1 ZINC001232004467 1376378797 /nfs/dbraw/zinc/37/87/97/1376378797.db2.gz QAVOBYOKUAETDO-UHFFFAOYSA-N 1 0 325.456 3.338 20 10 EGCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232268354 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20 10 EGCDRO Oc1c(C[NH+]2CCC(n3ccnc3)CC2)cccc1OC(F)(F)F ZINC001233768605 1376712268 /nfs/dbraw/zinc/71/22/68/1376712268.db2.gz WHWPFXIJDWNWRS-UHFFFAOYSA-N 1 0 341.333 3.324 20 10 EGCDRO c1c(CN2CCCC[C@]23CC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001235118634 1376849623 /nfs/dbraw/zinc/84/96/23/1376849623.db2.gz GMSUPQGPHFBHCX-OAQYLSRUSA-N 1 0 325.500 3.103 20 10 EGCDRO [NH3+]CCN(Cc1ccc(Cl)cc1Cl)Cc1cc(O)ccc1O ZINC001235888177 1376911180 /nfs/dbraw/zinc/91/11/80/1376911180.db2.gz KWLQUWUOMKLDCE-UHFFFAOYSA-N 1 0 341.238 3.366 20 10 EGCDRO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)CC1CCOCC1 ZINC001237052991 1376972363 /nfs/dbraw/zinc/97/23/63/1376972363.db2.gz GNKPDJVLSDFXAQ-UHFFFAOYSA-N 1 0 333.350 3.192 20 10 EGCDRO COc1cc(CN2CC[NH+](CC3CCCCC3)CC2)c(O)c(OC)c1 ZINC001237675028 1376982530 /nfs/dbraw/zinc/98/25/30/1376982530.db2.gz QIFYASKVCGJTDC-UHFFFAOYSA-N 1 0 348.487 3.107 20 10 EGCDRO COC(=O)Cc1ccc(C[N@H+](C)CCc2cccc(Cl)c2)c(O)c1 ZINC001249207342 1377072671 /nfs/dbraw/zinc/07/26/71/1377072671.db2.gz CGIMXFCKHYBGMS-UHFFFAOYSA-N 1 0 347.842 3.436 20 10 EGCDRO CC[N@H+](Cc1ccc(CC(=O)OC)cc1O)Cc1ccccc1F ZINC001249207328 1377072778 /nfs/dbraw/zinc/07/27/78/1377072778.db2.gz BUFIBGRLLISWOL-UHFFFAOYSA-N 1 0 331.387 3.269 20 10 EGCDRO COC(=O)Cc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2OC)c(O)c1 ZINC001249207877 1377072833 /nfs/dbraw/zinc/07/28/33/1377072833.db2.gz LFQDWKAKBFLWNR-AWEZNQCLSA-N 1 0 343.423 3.309 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2ccco2)cc1C ZINC001135720996 1377194202 /nfs/dbraw/zinc/19/42/02/1377194202.db2.gz QKGPTUKOYVBTII-CVEARBPZSA-N 1 0 344.455 3.212 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C2CCCC2)cc1C ZINC001136053225 1377315085 /nfs/dbraw/zinc/31/50/85/1377315085.db2.gz DLIRWEIZIULTSL-ROUUACIJSA-N 1 0 330.472 3.036 20 10 EGCDRO Oc1c(C[N@@H+]2CCc3ncsc3C2)cc2c3c1CCCN3CCC2 ZINC001138339935 1377705688 /nfs/dbraw/zinc/70/56/88/1377705688.db2.gz NDESDKCWAVVDAQ-UHFFFAOYSA-N 1 0 341.480 3.106 20 10 EGCDRO Oc1c(C[N@@H+]2CCc3cnccc3C2)cc2c3c1CCCN3CCC2 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ALIQTDXOHGDXMY-MRXNPFEDSA-N 1 0 328.378 3.092 20 10 EGCDRO CC[N@H+](Cc1cccc(CN2CCOCC2)c1)Cc1ccccc1O ZINC001139059346 1377823030 /nfs/dbraw/zinc/82/30/30/1377823030.db2.gz XURXAXFBFOMKIY-UHFFFAOYSA-N 1 0 340.467 3.247 20 10 EGCDRO COc1cc(CN2CCCC(F)(F)[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139254015 1377858327 /nfs/dbraw/zinc/85/83/27/1377858327.db2.gz BZAKRKOOJOKDAT-HNNXBMFYSA-N 1 0 346.393 3.032 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN3CCCC(F)(F)[C@H](F)C3)cc2)CC1 ZINC001139407952 1377880675 /nfs/dbraw/zinc/88/06/75/1377880675.db2.gz HRRKTHJQGDOYDU-QGZVFWFLSA-N 1 0 341.421 3.008 20 10 EGCDRO CC[C@@H]1[N@H+](Cc2ccc(N(C)C)c(C)c2)CCC[C@]12CCC(=O)N2C ZINC001139672175 1377930872 /nfs/dbraw/zinc/93/08/72/1377930872.db2.gz UAAWINFRTMBXHM-FPOVZHCZSA-N 1 0 343.515 3.426 20 10 EGCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139671385 1377930949 /nfs/dbraw/zinc/93/09/49/1377930949.db2.gz KKGUYYZBOGIQEF-FPOVZHCZSA-N 1 0 346.515 3.469 20 10 EGCDRO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(F)ccc1O ZINC001140060136 1377998405 /nfs/dbraw/zinc/99/84/05/1377998405.db2.gz MDNQXMZWTPVWQP-INIZCTEOSA-N 1 0 341.423 3.102 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001140098420 1378007237 /nfs/dbraw/zinc/00/72/37/1378007237.db2.gz BHXXVNGCVNJNEF-ABAIWWIYSA-N 1 0 326.234 3.156 20 10 EGCDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3c(O)cccc3Br)C[C@@H]21 ZINC001140101721 1378007501 /nfs/dbraw/zinc/00/75/01/1378007501.db2.gz YTMBZFLUYJHZGA-WQGACYEGSA-N 1 0 340.261 3.402 20 10 EGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC001140103496 1378008456 /nfs/dbraw/zinc/00/84/56/1378008456.db2.gz MCTFGCIYJJTFKM-GFCCVEGCSA-N 1 0 327.266 3.069 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140102953 1378008694 /nfs/dbraw/zinc/00/86/94/1378008694.db2.gz ACVDMQPDPCHSBI-UHFFFAOYSA-N 1 0 334.213 3.419 20 10 EGCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1O ZINC001140180256 1378027205 /nfs/dbraw/zinc/02/72/05/1378027205.db2.gz DBJLZVZLXLMHRN-IYBDPMFKSA-N 1 0 343.496 3.029 20 10 EGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140286884 1378041130 /nfs/dbraw/zinc/04/11/30/1378041130.db2.gz UYEFDOGDDVTKPJ-GOSISDBHSA-N 1 0 332.488 3.039 20 10 EGCDRO O=C1c2ccccc2[C@H]2CN(Cc3c(O)cccc3Cl)CCN12 ZINC001140338221 1378048594 /nfs/dbraw/zinc/04/85/94/1378048594.db2.gz BHPDFLRLCZFCQQ-MRXNPFEDSA-N 1 0 328.799 3.058 20 10 EGCDRO O=C1CCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)N1CC1CC1 ZINC001140339900 1378049590 /nfs/dbraw/zinc/04/95/90/1378049590.db2.gz OQUOUIAHKVXSQO-UHFFFAOYSA-N 1 0 348.874 3.413 20 10 EGCDRO Cc1nccnc1O[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342428 1378049809 /nfs/dbraw/zinc/04/98/09/1378049809.db2.gz IYDWBRWRQFTBAP-ZDUSSCGKSA-N 1 0 333.819 3.187 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1c1ccccc1 ZINC001140342692 1378050042 /nfs/dbraw/zinc/05/00/42/1378050042.db2.gz UZXAIGSOVJJMHL-GJZGRUSLSA-N 1 0 345.826 3.434 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)C[C@H]1c1ccccc1 ZINC001140585316 1378090552 /nfs/dbraw/zinc/09/05/52/1378090552.db2.gz FDVUVOZYLBZWQD-LSDHHAIUSA-N 1 0 347.361 3.059 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(n3c4ccccc4oc3=O)CC2)c1 ZINC001140621121 1378099766 /nfs/dbraw/zinc/09/97/66/1378099766.db2.gz PRWPLXXGTSPYKE-UHFFFAOYSA-N 1 0 338.407 3.446 20 10 EGCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC001140624453 1378100406 /nfs/dbraw/zinc/10/04/06/1378100406.db2.gz XHNRNWMXMWEEMI-QGZVFWFLSA-N 1 0 328.412 3.148 20 10 EGCDRO COC(=O)Cc1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001140653841 1378106435 /nfs/dbraw/zinc/10/64/35/1378106435.db2.gz HAMIFUKKBDJULD-UHFFFAOYSA-N 1 0 326.440 3.100 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001140661557 1378108512 /nfs/dbraw/zinc/10/85/12/1378108512.db2.gz JGJOFGVWXZKBRR-QGZVFWFLSA-N 1 0 341.430 3.047 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1CN(Cc1ccco1)C1CC1 ZINC001140664655 1378110115 /nfs/dbraw/zinc/11/01/15/1378110115.db2.gz NOTFCBBBPCZHNW-UHFFFAOYSA-N 1 0 330.403 3.420 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc(O)c(C)c2O)cc(OC)c1OC ZINC001140748723 1378128823 /nfs/dbraw/zinc/12/88/23/1378128823.db2.gz IZZBNMLQVSFCFC-UHFFFAOYSA-N 1 0 347.411 3.064 20 10 EGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)c1 ZINC001140749471 1378129612 /nfs/dbraw/zinc/12/96/12/1378129612.db2.gz BCQHRDUYMMDRJD-MRXNPFEDSA-N 1 0 328.412 3.153 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCN(C)CC23CCCC3)c(O)c1 ZINC001140855848 1378159503 /nfs/dbraw/zinc/15/95/03/1378159503.db2.gz DBDYRNRXHUELOX-UHFFFAOYSA-N 1 0 331.504 3.299 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c(O)c1 ZINC001140857754 1378159674 /nfs/dbraw/zinc/15/96/74/1378159674.db2.gz YYZDRORBMBICPN-LJQANCHMSA-N 1 0 347.503 3.070 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC001140921299 1378181109 /nfs/dbraw/zinc/18/11/09/1378181109.db2.gz AJLNZWOXRIHDHG-CQSZACIVSA-N 1 0 336.785 3.153 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2ccc(C)cc2O)Cc2c1cnn2CC ZINC001140952173 1378189611 /nfs/dbraw/zinc/18/96/11/1378189611.db2.gz HINVFJWXXFMTFP-MRXNPFEDSA-N 1 0 329.444 3.053 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140953802 1378191448 /nfs/dbraw/zinc/19/14/48/1378191448.db2.gz GYIHHJWWSALYKL-GDBMZVCRSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1ccc(C[N@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC001140958219 1378193114 /nfs/dbraw/zinc/19/31/14/1378193114.db2.gz URJIFHUDYYYPTP-HXUWFJFHSA-N 1 0 340.467 3.033 20 10 EGCDRO CC(C)(C)NC(=O)[C@@H]1CC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277210626 1378211274 /nfs/dbraw/zinc/21/12/74/1378211274.db2.gz WNRPKHZWPSMRPN-SFHVURJKSA-N 1 0 341.499 3.023 20 10 EGCDRO COc1cc(O)c(CN2CC[NH+](CC3CCCCC3)CC2)c(OC)c1 ZINC001141031357 1378214528 /nfs/dbraw/zinc/21/45/28/1378214528.db2.gz DJTQVJFQTNBYQN-UHFFFAOYSA-N 1 0 348.487 3.107 20 10 EGCDRO Oc1ccc(O)c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161319 1378254182 /nfs/dbraw/zinc/25/41/82/1378254182.db2.gz DRNQXJUVBAVPLP-HKUYNNGSSA-N 1 0 338.451 3.052 20 10 EGCDRO Oc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001141160121 1378254331 /nfs/dbraw/zinc/25/43/31/1378254331.db2.gz QOXINFITQQOCBC-UZLBHIALSA-N 1 0 340.423 3.174 20 10 EGCDRO CN(Cc1ccccc1F)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162516 1378254863 /nfs/dbraw/zinc/25/48/63/1378254863.db2.gz VOCKWZWBWIKVBE-UHFFFAOYSA-N 1 0 344.430 3.333 20 10 EGCDRO COc1cccc([C@@H]2CSCC[N@@H+]2Cc2cc(O)ccc2O)c1 ZINC001141163311 1378256052 /nfs/dbraw/zinc/25/60/52/1378256052.db2.gz ZLRGMYNYHOINCS-KRWDZBQOSA-N 1 0 331.437 3.397 20 10 EGCDRO CC[N@H+](Cc1ccc(CC(=O)OC)cc1)Cc1ccc(N(C)C)cc1 ZINC001142910486 1378508053 /nfs/dbraw/zinc/50/80/53/1378508053.db2.gz AFHXHJOVUAMINH-UHFFFAOYSA-N 1 0 340.467 3.490 20 10 EGCDRO Cc1nccnc1O[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117017 1378543438 /nfs/dbraw/zinc/54/34/38/1378543438.db2.gz PDWFNVLGTJLUMZ-MRXNPFEDSA-N 1 0 341.455 3.441 20 10 EGCDRO [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001144300179 1378713247 /nfs/dbraw/zinc/71/32/47/1378713247.db2.gz VVXPWOLVRFIIRV-UHFFFAOYSA-N 1 0 344.224 3.296 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ncc(F)c4cc[nH]c43)cc2)CC1 ZINC001156657192 1380605450 /nfs/dbraw/zinc/60/54/50/1380605450.db2.gz GTNKNDBLYZTHGU-UHFFFAOYSA-N 1 0 339.418 3.066 20 10 EGCDRO Cc1cnnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)c1 ZINC001160616978 1382154100 /nfs/dbraw/zinc/15/41/00/1382154100.db2.gz ZREMKAIDUPXWDC-RTBURBONSA-N 1 0 336.395 3.049 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3C[C@H]3C)CC2)cc1C ZINC001163265293 1383008319 /nfs/dbraw/zinc/00/83/19/1383008319.db2.gz SMIYUNBNWQVFQS-PBHICJAKSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C3CC=CC3)CC2)cc1C ZINC001163921185 1383136077 /nfs/dbraw/zinc/13/60/77/1383136077.db2.gz DQNXQKKVHDLWKD-UHFFFAOYSA-N 1 0 342.483 3.346 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CC=CCC2)cc1C ZINC001164008912 1383146281 /nfs/dbraw/zinc/14/62/81/1383146281.db2.gz ZNSWODUGNRDRQZ-QGZVFWFLSA-N 1 0 330.472 3.346 20 10 EGCDRO CC[C@H]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001166045791 1383380490 /nfs/dbraw/zinc/38/04/90/1383380490.db2.gz CJDRPBUHRFPZDW-ZWKOTPCHSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C[C@H]3C[C@@H]3C)CC2)cc1C ZINC001166994447 1383511735 /nfs/dbraw/zinc/51/17/35/1383511735.db2.gz MMUDJRZZZASKIS-MAUKXSAKSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C)cc(F)c2)cc1C ZINC001167262718 1383578653 /nfs/dbraw/zinc/57/86/53/1383578653.db2.gz XIJMDRWFOXWHRZ-UHFFFAOYSA-N 1 0 344.430 3.361 20 10 EGCDRO Cc1c2cc[nH]c2ncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431109 1383631527 /nfs/dbraw/zinc/63/15/27/1383631527.db2.gz HKBBCSFXAJXDQZ-UHFFFAOYSA-N 1 0 335.455 3.187 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)c2ccc(C)o2)cc1C ZINC001167817833 1383748223 /nfs/dbraw/zinc/74/82/23/1383748223.db2.gz VZEOUNZBSHMWGB-MRXNPFEDSA-N 1 0 344.455 3.305 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2(F)CCCCC2)cc1C ZINC001170146664 1384248969 /nfs/dbraw/zinc/24/89/69/1384248969.db2.gz PSSNBJKIRFORIZ-UHFFFAOYSA-N 1 0 336.451 3.272 20 10 EGCDRO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC001335738176 1388915617 /nfs/dbraw/zinc/91/56/17/1388915617.db2.gz WWPZMYGKXNUPGU-QGZVFWFLSA-N 1 0 346.862 3.024 20 10 EGCDRO CCOc1ccc(N2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172127013 1384736089 /nfs/dbraw/zinc/73/60/89/1384736089.db2.gz FZZDFLIQKBCVLL-ACDBMABISA-N 1 0 343.515 3.223 20 10 EGCDRO CC(C)COCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001172463521 1384797641 /nfs/dbraw/zinc/79/76/41/1384797641.db2.gz OZSFTPPAQBBCLN-QGZVFWFLSA-N 1 0 334.504 3.397 20 10 EGCDRO COC(=O)[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001172615707 1384819218 /nfs/dbraw/zinc/81/92/18/1384819218.db2.gz HJEOMRBXXFPOQM-HKUYNNGSSA-N 1 0 330.472 3.450 20 10 EGCDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172839049 1384862971 /nfs/dbraw/zinc/86/29/71/1384862971.db2.gz ALUYZDPHEMXFMK-JTQLQIEISA-N 1 0 339.794 3.359 20 10 EGCDRO CCOC(=O)[C@H]1CC12CCC([NH2+]Cc1ccc(N(C)C)cc1)CC2 ZINC001173602621 1384985629 /nfs/dbraw/zinc/98/56/29/1384985629.db2.gz ASFGHFDWBCHXGS-KGXSXCIVSA-N 1 0 330.472 3.354 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2F)CC1 ZINC001318630625 1385805093 /nfs/dbraw/zinc/80/50/93/1385805093.db2.gz XFGQRINKYKPXFE-GOSISDBHSA-N 1 0 343.446 3.338 20 10 EGCDRO Cc1cc(CN2CCC[N@H+](Cc3c(O)cccc3Cl)CC2)no1 ZINC001319947734 1386411171 /nfs/dbraw/zinc/41/11/71/1386411171.db2.gz LFOPXEPFDLYMCS-UHFFFAOYSA-N 1 0 335.835 3.050 20 10 EGCDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC001320072122 1386491115 /nfs/dbraw/zinc/49/11/15/1386491115.db2.gz RWYOFXKOHDRDCT-KGLIPLIRSA-N 1 0 327.266 3.117 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC001320086886 1386502718 /nfs/dbraw/zinc/50/27/18/1386502718.db2.gz REZFOFIBJOSNRC-IBGZPJMESA-N 1 0 344.499 3.304 20 10 EGCDRO COC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCCC1 ZINC001320708269 1386697889 /nfs/dbraw/zinc/69/78/89/1386697889.db2.gz JOWGNLVOAFIGAA-UHFFFAOYSA-N 1 0 349.494 3.016 20 10 EGCDRO CN(C)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC001180125684 1386705295 /nfs/dbraw/zinc/70/52/95/1386705295.db2.gz MPAZUGZYXZDMSZ-XEDBTPMOSA-N 1 0 341.499 3.243 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC001321022818 1386786643 /nfs/dbraw/zinc/78/66/43/1386786643.db2.gz JXQAIXHGBIHQJU-GJZGRUSLSA-N 1 0 340.471 3.399 20 10 EGCDRO CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(N)cc3)CC2)CC1 ZINC001336863459 1389186628 /nfs/dbraw/zinc/18/66/28/1389186628.db2.gz QYWRIMIFCPZIMR-UHFFFAOYSA-N 1 0 344.503 3.111 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCNC(=O)c1ccccc1F ZINC001337795591 1389446173 /nfs/dbraw/zinc/44/61/73/1389446173.db2.gz HRBWUOXYYKIUKF-XJKSGUPXSA-N 1 0 342.414 3.408 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccccc2N2CCCC2)cc1 ZINC001331420770 1389741426 /nfs/dbraw/zinc/74/14/26/1389741426.db2.gz ZPLIJHVQZATTPD-HXUWFJFHSA-N 1 0 338.499 3.142 20 10 EGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1C ZINC001338751764 1389751709 /nfs/dbraw/zinc/75/17/09/1389751709.db2.gz QPIGELJEFPGZCO-GPMSIDNRSA-N 1 0 333.495 3.492 20 10 EGCDRO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001333371615 1390291800 /nfs/dbraw/zinc/29/18/00/1390291800.db2.gz SBRXNJPNLJSKEE-HXUWFJFHSA-N 1 0 341.499 3.264 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)c(O)c1OC ZINC001333692265 1390375810 /nfs/dbraw/zinc/37/58/10/1390375810.db2.gz BAUABRMRZOVHCM-UHFFFAOYSA-N 1 0 335.444 3.238 20 10 EGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001335032818 1390632870 /nfs/dbraw/zinc/63/28/70/1390632870.db2.gz DZQYPKFTWFXVPT-GOSISDBHSA-N 1 0 340.471 3.433 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCc1cn2c(n1)SCC2 ZINC001343416107 1390712600 /nfs/dbraw/zinc/71/26/00/1390712600.db2.gz XTUBAONYONECCU-JSGCOSHPSA-N 1 0 329.469 3.383 20 10 EGCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001348447487 1391220787 /nfs/dbraw/zinc/22/07/87/1391220787.db2.gz QDKJGHKUUJZJRM-RDJZCZTQSA-N 1 0 341.421 3.246 20 10 EGCDRO C[C@H](CC1CCCCC1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001349138194 1391305658 /nfs/dbraw/zinc/30/56/58/1391305658.db2.gz OPDUDPKASGECAL-BEFAXECRSA-N 1 0 331.504 3.475 20 10 EGCDRO COc1cc(C)cc(CNc2ccc(N3CC[NH+](C)CC3)cc2)c1O ZINC001350310189 1391445064 /nfs/dbraw/zinc/44/50/64/1391445064.db2.gz QRRCDMCSNNMFQZ-UHFFFAOYSA-N 1 0 341.455 3.073 20 10 EGCDRO COc1ccc(C[NH2+]CC2(NC(=O)CC3CC3)CCCC2)cc1C ZINC001753499055 1440422711 /nfs/dbraw/zinc/42/27/11/1440422711.db2.gz HQBDSDRZXXTRAZ-UHFFFAOYSA-N 1 0 330.472 3.322 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2oc(C)cc2C)cc1C ZINC001753687585 1440465914 /nfs/dbraw/zinc/46/59/14/1440465914.db2.gz PKVSGXXJWSLOFG-OAHLLOKOSA-N 1 0 344.455 3.464 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2oc(C)cc2C)cc1C ZINC001753687584 1440466010 /nfs/dbraw/zinc/46/60/10/1440466010.db2.gz PKVSGXXJWSLOFG-HNNXBMFYSA-N 1 0 344.455 3.464 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](C)C2CC2)C(C)C)cc1C ZINC001753827954 1440498869 /nfs/dbraw/zinc/49/88/69/1440498869.db2.gz ZPNIVUJOCWIONK-YJBOKZPZSA-N 1 0 332.488 3.280 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001753956227 1440525704 /nfs/dbraw/zinc/52/57/04/1440525704.db2.gz QDBDAIGPJVDGNK-ITQYTPKQSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC34CCCC4)CC2)cc1C ZINC001754530735 1440622342 /nfs/dbraw/zinc/62/23/42/1440622342.db2.gz CUGFFHWEZPHWNJ-KRWDZBQOSA-N 1 0 342.483 3.322 20 10 EGCDRO CCCC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001754945272 1440712611 /nfs/dbraw/zinc/71/26/11/1440712611.db2.gz VADGGJJGEBDBTM-AWEZNQCLSA-N 1 0 345.447 3.091 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2c[nH]cc2C)cc1C ZINC001755534729 1440868769 /nfs/dbraw/zinc/86/87/69/1440868769.db2.gz SKRYKDZGGHSQSI-INIZCTEOSA-N 1 0 343.471 3.328 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2oc(C)cc2C)cc1C ZINC001755582912 1440879740 /nfs/dbraw/zinc/87/97/40/1440879740.db2.gz ASTDSUIJPUJWSU-OAHLLOKOSA-N 1 0 344.455 3.464 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000297869631 202174830 /nfs/dbraw/zinc/17/48/30/202174830.db2.gz UOGVCHSNNGZBRR-RHSMWYFYSA-N 1 0 337.341 3.419 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H](OC)c2cccc(OC)c2)c1O ZINC000527739716 312929296 /nfs/dbraw/zinc/92/92/96/312929296.db2.gz SWEHTJYXWPJTQK-SFHVURJKSA-N 1 0 331.412 3.277 20 10 EGCDRO Nc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000237906186 455231994 /nfs/dbraw/zinc/23/19/94/455231994.db2.gz USZKYNHEXOPXFG-UHFFFAOYSA-N 1 0 337.467 3.114 20 10 EGCDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N(C)C)cc1OC ZINC000183591590 455309452 /nfs/dbraw/zinc/30/94/52/455309452.db2.gz XGZMDCFAJOXBRR-PBHICJAKSA-N 1 0 344.455 3.363 20 10 EGCDRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1O ZINC000183665534 455318929 /nfs/dbraw/zinc/31/89/29/455318929.db2.gz FEVDZHIXFNGAER-KBXCAEBGSA-N 1 0 339.439 3.015 20 10 EGCDRO C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](c2ccsc2)O1 ZINC000120021831 454248456 /nfs/dbraw/zinc/24/84/56/454248456.db2.gz CZXBBQHYJKWCRH-APPDUMDISA-N 1 0 333.409 3.144 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3cccnc3)CC2)cc1 ZINC000071924614 454259951 /nfs/dbraw/zinc/25/99/51/454259951.db2.gz WHUXNXNHAOWGSR-UHFFFAOYSA-N 1 0 333.382 3.442 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000078486107 454261921 /nfs/dbraw/zinc/26/19/21/454261921.db2.gz OKYZKQQICVXBTG-FQEVSTJZSA-N 1 0 337.467 3.206 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090590211 454324855 /nfs/dbraw/zinc/32/48/55/454324855.db2.gz YGAZNIOJVAHBNU-HOCLYGCPSA-N 1 0 338.467 3.110 20 10 EGCDRO C[C@@H]1OCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000120868607 454358870 /nfs/dbraw/zinc/35/88/70/454358870.db2.gz BNEHPWZTSNYBKJ-LRDDRELGSA-N 1 0 326.387 3.024 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(N(C)C)cc1 ZINC000133251059 454405137 /nfs/dbraw/zinc/40/51/37/454405137.db2.gz RLFBTDUIRAQZMF-OAHLLOKOSA-N 1 0 341.455 3.301 20 10 EGCDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC000092005433 454503221 /nfs/dbraw/zinc/50/32/21/454503221.db2.gz OJHSBSBGGVXQFT-INIZCTEOSA-N 1 0 339.439 3.255 20 10 EGCDRO CCOc1cccc(C[NH2+]CCn2c(C)nc3ccccc32)c1O ZINC000074336822 454566503 /nfs/dbraw/zinc/56/65/03/454566503.db2.gz QMIHREXJTNAEIE-UHFFFAOYSA-N 1 0 325.412 3.239 20 10 EGCDRO O=C(NC1CC[NH+](Cc2c(O)cccc2Cl)CC1)c1ccccc1 ZINC000123073349 454599474 /nfs/dbraw/zinc/59/94/74/454599474.db2.gz BORSZOIDLJHQAE-UHFFFAOYSA-N 1 0 344.842 3.440 20 10 EGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000105446731 454639388 /nfs/dbraw/zinc/63/93/88/454639388.db2.gz OBMRYFVIFGZDCT-OAHLLOKOSA-N 1 0 344.430 3.089 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(O)c1 ZINC000123732053 454669575 /nfs/dbraw/zinc/66/95/75/454669575.db2.gz ASNBPRGYVXMXKD-HIFRSBDPSA-N 1 0 333.350 3.069 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCc2nc3cc(F)ccc3n2C)cc1F ZINC000123915907 454687090 /nfs/dbraw/zinc/68/70/90/454687090.db2.gz JCPPJFWFUNWBIF-UHFFFAOYSA-N 1 0 344.409 3.250 20 10 EGCDRO COc1cccc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c1O ZINC000093280292 454698275 /nfs/dbraw/zinc/69/82/75/454698275.db2.gz NHLQPHUUTVYEKF-LJQANCHMSA-N 1 0 345.414 3.486 20 10 EGCDRO COc1ccc(C[N@H+](CCO)Cc2cc(C)c(C)cc2O)c(OC)c1 ZINC000093363726 454708105 /nfs/dbraw/zinc/70/81/05/454708105.db2.gz BNKOCFHTYQJXGX-UHFFFAOYSA-N 1 0 345.439 3.021 20 10 EGCDRO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093420545 454715836 /nfs/dbraw/zinc/71/58/36/454715836.db2.gz PWJPEJVRQIEQEL-GJZGRUSLSA-N 1 0 347.480 3.313 20 10 EGCDRO CCCOc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(O)c1 ZINC000136855429 454758362 /nfs/dbraw/zinc/75/83/62/454758362.db2.gz ZMQLCRVLQUCGJH-UHFFFAOYSA-N 1 0 333.350 3.070 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176598567 454762333 /nfs/dbraw/zinc/76/23/33/454762333.db2.gz OOWGEAMVZNDIMZ-MJGOQNOKSA-N 1 0 346.519 3.157 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153794056 454833747 /nfs/dbraw/zinc/83/37/47/454833747.db2.gz TUHUGFANEJBYOB-QRWLVFNGSA-N 1 0 344.430 3.047 20 10 EGCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000126412817 454892733 /nfs/dbraw/zinc/89/27/33/454892733.db2.gz BOHXKGKDIXATPS-IBGZPJMESA-N 1 0 332.419 3.066 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000184997884 455483588 /nfs/dbraw/zinc/48/35/88/455483588.db2.gz KHZAXWKJTMZWQD-VXGBXAGGSA-N 1 0 339.277 3.290 20 10 EGCDRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000165103875 454894182 /nfs/dbraw/zinc/89/41/82/454894182.db2.gz QRNKQLWXVXLQGI-INIZCTEOSA-N 1 0 339.483 3.348 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000170646392 454948460 /nfs/dbraw/zinc/94/84/60/454948460.db2.gz OEEUGYHNOZCTDD-INIZCTEOSA-N 1 0 334.460 3.498 20 10 EGCDRO O=C1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)CN1Cc1ccccc1 ZINC000179051995 455003239 /nfs/dbraw/zinc/00/32/39/455003239.db2.gz FRVROFVJYYQTNU-HNNXBMFYSA-N 1 0 344.842 3.184 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000171128638 455033411 /nfs/dbraw/zinc/03/34/11/455033411.db2.gz CJKRVKAESAJVID-HNNXBMFYSA-N 1 0 341.411 3.282 20 10 EGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000179555262 455057604 /nfs/dbraw/zinc/05/76/04/455057604.db2.gz VALKUAIZBWDUJQ-INIZCTEOSA-N 1 0 326.444 3.090 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3O)CC2)s1 ZINC000179565286 455058583 /nfs/dbraw/zinc/05/85/83/455058583.db2.gz CXGWJEDSPKELFD-UHFFFAOYSA-N 1 0 330.453 3.157 20 10 EGCDRO CN(C[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)C(=O)OC(C)(C)C ZINC000179561762 455058921 /nfs/dbraw/zinc/05/89/21/455058921.db2.gz VIWJFCCFPPWIGO-HNNXBMFYSA-N 1 0 334.460 3.471 20 10 EGCDRO CC[C@]1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000129012239 455094438 /nfs/dbraw/zinc/09/44/38/455094438.db2.gz UWVONEQBRYOICS-HXUWFJFHSA-N 1 0 329.488 3.168 20 10 EGCDRO CC[C@@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1ccccc1O ZINC000156474239 455122909 /nfs/dbraw/zinc/12/29/09/455122909.db2.gz QHTQBYRUOJSDBR-GOSISDBHSA-N 1 0 328.412 3.470 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000183440130 455292406 /nfs/dbraw/zinc/29/24/06/455292406.db2.gz WYVHBKLCQILMMX-ZIAGYGMSSA-N 1 0 348.468 3.054 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000183440112 455292822 /nfs/dbraw/zinc/29/28/22/455292822.db2.gz WYVHBKLCQILMMX-UONOGXRCSA-N 1 0 348.468 3.054 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c(O)c1 ZINC000184853190 455461189 /nfs/dbraw/zinc/46/11/89/455461189.db2.gz OFXIINAXMMWWLF-NVXWUHKLSA-N 1 0 346.496 3.486 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(F)ccc1O ZINC000184967536 455479052 /nfs/dbraw/zinc/47/90/52/455479052.db2.gz PMGIKLLLHIECGI-LBPRGKRZSA-N 1 0 332.375 3.080 20 10 EGCDRO CCOC(=O)[C@](C)(C[NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000191640122 455506189 /nfs/dbraw/zinc/50/61/89/455506189.db2.gz CRDCTUJZAPIBCR-HXUWFJFHSA-N 1 0 343.423 3.011 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NCc3cc(OC)ccc3O)c2)CC1 ZINC000191884884 455528365 /nfs/dbraw/zinc/52/83/65/455528365.db2.gz TXMNNXYBQPRXNZ-UHFFFAOYSA-N 1 0 341.455 3.155 20 10 EGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185277199 455532861 /nfs/dbraw/zinc/53/28/61/455532861.db2.gz PVLKMHDYMQFVSX-SECBINFHSA-N 1 0 338.249 3.356 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000185446416 455559060 /nfs/dbraw/zinc/55/90/60/455559060.db2.gz AJTDHYMJCNGIHN-ZDUSSCGKSA-N 1 0 332.831 3.435 20 10 EGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185486867 455564876 /nfs/dbraw/zinc/56/48/76/455564876.db2.gz PBOVOMAYSGGVQH-ORAYPTAESA-N 1 0 331.412 3.102 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)c2sccc2C[NH+](C)C)cc1 ZINC000268047994 455584558 /nfs/dbraw/zinc/58/45/58/455584558.db2.gz SUEVOMCSQJGDFR-UHFFFAOYSA-N 1 0 331.485 3.148 20 10 EGCDRO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000192603052 455650409 /nfs/dbraw/zinc/65/04/09/455650409.db2.gz UQRAOVYLOJWEQB-CKEIUWERSA-N 1 0 340.414 3.271 20 10 EGCDRO COc1cc(NCC[NH2+][C@@H](C)c2ccc(C)cc2O)cc(OC)c1 ZINC000186154950 455704550 /nfs/dbraw/zinc/70/45/50/455704550.db2.gz JPPVKJXWHVVDSG-AWEZNQCLSA-N 1 0 330.428 3.481 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190619 455712171 /nfs/dbraw/zinc/71/21/71/455712171.db2.gz WXAIAFKMVOBGHB-AEFFLSMTSA-N 1 0 338.451 3.400 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccnc1OCCOC)c1ccc(N(C)C)cc1 ZINC000268787027 455713676 /nfs/dbraw/zinc/71/36/76/455713676.db2.gz SFVOBZFQTYNFCV-IBGZPJMESA-N 1 0 343.471 3.414 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000268826190 455716224 /nfs/dbraw/zinc/71/62/24/455716224.db2.gz YYZGZORUBWCQEU-YWZLYKJASA-N 1 0 344.430 3.047 20 10 EGCDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000284650069 455719566 /nfs/dbraw/zinc/71/95/66/455719566.db2.gz GEFYWXMHKYWVCK-LPHOPBHVSA-N 1 0 346.450 3.289 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)c1c(F)cccc1F ZINC000271792746 455761728 /nfs/dbraw/zinc/76/17/28/455761728.db2.gz HEADBLUGWKLYPK-CRAIPNDOSA-N 1 0 337.366 3.281 20 10 EGCDRO Cc1nccnc1CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000292929818 455766987 /nfs/dbraw/zinc/76/69/87/455766987.db2.gz GVMJIAPHCLKZDV-UHFFFAOYSA-N 1 0 338.377 3.202 20 10 EGCDRO C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000186517984 455785225 /nfs/dbraw/zinc/78/52/25/455785225.db2.gz KMJGFCPXQBYFAP-LBPRGKRZSA-N 1 0 326.412 3.487 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000293480815 455788106 /nfs/dbraw/zinc/78/81/06/455788106.db2.gz SIVFHJYQGOXXLN-PKOBYXMFSA-N 1 0 329.488 3.153 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000293520524 455790006 /nfs/dbraw/zinc/79/00/06/455790006.db2.gz AXXPPSKRXNJROA-UHFFFAOYSA-N 1 0 345.414 3.421 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)NC(C)(C)CCC[NH3+])c2C)cc1 ZINC000293624767 455792981 /nfs/dbraw/zinc/79/29/81/455792981.db2.gz IAURIVIZLYGIJK-UHFFFAOYSA-N 1 0 343.471 3.350 20 10 EGCDRO OCC1([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc2)CCC1 ZINC000293939829 455801096 /nfs/dbraw/zinc/80/10/96/455801096.db2.gz OGBBBKMIUXTEFN-IBGZPJMESA-N 1 0 341.407 3.114 20 10 EGCDRO C[C@@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1O)C(=O)NCCF ZINC000294329462 455811637 /nfs/dbraw/zinc/81/16/37/455811637.db2.gz OWDVFXGNVQFKTB-CRAIPNDOSA-N 1 0 344.430 3.130 20 10 EGCDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000294671110 455823670 /nfs/dbraw/zinc/82/36/70/455823670.db2.gz AOCXGKWONPUGSM-MRXNPFEDSA-N 1 0 329.440 3.469 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cc(Cl)ccc1O ZINC000278564780 455839752 /nfs/dbraw/zinc/83/97/52/455839752.db2.gz WXCSFDUTUSYEIM-TZMCWYRMSA-N 1 0 334.851 3.099 20 10 EGCDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000186859652 455844583 /nfs/dbraw/zinc/84/45/83/455844583.db2.gz OPAHAGODWUHLHB-AWEZNQCLSA-N 1 0 339.501 3.137 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000186866527 455845861 /nfs/dbraw/zinc/84/58/61/455845861.db2.gz LKXUHFRBYUUUCJ-HNNXBMFYSA-N 1 0 326.506 3.008 20 10 EGCDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295741549 455858814 /nfs/dbraw/zinc/85/88/14/455858814.db2.gz MUVHTYFBRDINLX-NRFANRHFSA-N 1 0 346.515 3.286 20 10 EGCDRO C[C@H](c1cc(Cl)ccc1O)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295839886 455860453 /nfs/dbraw/zinc/86/04/53/455860453.db2.gz AKPIBBPMSULRIA-HZSPNIEDSA-N 1 0 344.842 3.388 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1O ZINC000279271931 455861617 /nfs/dbraw/zinc/86/16/17/455861617.db2.gz NLEJLZGMUSKBSG-BMGDILEWSA-N 1 0 333.403 3.171 20 10 EGCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(-c3ccccc3)ccc1O)CCO2 ZINC000279704476 455870909 /nfs/dbraw/zinc/87/09/09/455870909.db2.gz RPZNCTYCFWLTQS-IIBYNOLFSA-N 1 0 339.435 3.439 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCSC[C@H](C)C3)cc2)CC1 ZINC000296167441 455870957 /nfs/dbraw/zinc/87/09/57/455870957.db2.gz ZFQAJQPMZBGRCP-MRXNPFEDSA-N 1 0 334.529 3.487 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000279921261 455876492 /nfs/dbraw/zinc/87/64/92/455876492.db2.gz AFHQJLIMTAGINN-MRXNPFEDSA-N 1 0 348.393 3.450 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]Cc1c(F)cccc1N1CCCC1)OCO2 ZINC000285594753 455878318 /nfs/dbraw/zinc/87/83/18/455878318.db2.gz PERIBEGSHQDJSN-UHFFFAOYSA-N 1 0 344.386 3.150 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccc(C)cc1O ZINC000279985223 455879695 /nfs/dbraw/zinc/87/96/95/455879695.db2.gz DXCAXCNEMCNUII-SFHVURJKSA-N 1 0 342.439 3.180 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2cccc(NC(=O)OC)c2)c1O ZINC000285608462 455880238 /nfs/dbraw/zinc/88/02/38/455880238.db2.gz VRQFNVGOFDHFNZ-UHFFFAOYSA-N 1 0 330.384 3.259 20 10 EGCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000285677407 455894586 /nfs/dbraw/zinc/89/45/86/455894586.db2.gz NJIHHEYOQICWBJ-KRWDZBQOSA-N 1 0 338.517 3.151 20 10 EGCDRO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272280955 455900528 /nfs/dbraw/zinc/90/05/28/455900528.db2.gz MTEHKWGOQQYPDH-UHFFFAOYSA-N 1 0 334.435 3.192 20 10 EGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296386252 455924207 /nfs/dbraw/zinc/92/42/07/455924207.db2.gz KTRPSXXOGHCHRG-LJQANCHMSA-N 1 0 344.499 3.087 20 10 EGCDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187838987 455960354 /nfs/dbraw/zinc/96/03/54/455960354.db2.gz SKUQPHLTXFXWMD-IZHWHUGBSA-N 1 0 347.480 3.170 20 10 EGCDRO C[C@H](c1ccc(N(C)C)cc1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296637765 455997203 /nfs/dbraw/zinc/99/72/03/455997203.db2.gz XVTCDXJLHHOPRE-SOLBZPMBSA-N 1 0 337.467 3.095 20 10 EGCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296657099 456002539 /nfs/dbraw/zinc/00/25/39/456002539.db2.gz DTHMWFFQNDISPI-HNAYVOBHSA-N 1 0 346.496 3.014 20 10 EGCDRO O=C(CCC[NH2+][C@H]1CCc2cccc(O)c21)N1Cc2ccccc2C1 ZINC000296699036 456012892 /nfs/dbraw/zinc/01/28/92/456012892.db2.gz HPAOTVFGTYSJIM-SFHVURJKSA-N 1 0 336.435 3.292 20 10 EGCDRO CC(C)C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)Nc1nccs1 ZINC000296833365 456048704 /nfs/dbraw/zinc/04/87/04/456048704.db2.gz MRQNSJDCDSUKJL-UONOGXRCSA-N 1 0 345.468 3.479 20 10 EGCDRO CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000287174952 456062608 /nfs/dbraw/zinc/06/26/08/456062608.db2.gz UTZSDHJRTRZQNN-INIZCTEOSA-N 1 0 339.911 3.112 20 10 EGCDRO CC(C)SCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000287183071 456063711 /nfs/dbraw/zinc/06/37/11/456063711.db2.gz VIFGGNADTOHBPI-CQSZACIVSA-N 1 0 326.481 3.455 20 10 EGCDRO COc1cc(O)c(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC000280849962 456065781 /nfs/dbraw/zinc/06/57/81/456065781.db2.gz ZLVLUGPFBAVCJK-KRWDZBQOSA-N 1 0 348.487 3.296 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287527933 456071546 /nfs/dbraw/zinc/07/15/46/456071546.db2.gz DNRMVIIEVABTGU-KRWDZBQOSA-N 1 0 339.911 3.112 20 10 EGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)ccc21 ZINC000287675441 456075439 /nfs/dbraw/zinc/07/54/39/456075439.db2.gz MKLWTJAAZWQPGH-GDBMZVCRSA-N 1 0 328.378 3.269 20 10 EGCDRO COC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(Cl)c1 ZINC000288546966 456098942 /nfs/dbraw/zinc/09/89/42/456098942.db2.gz LDXJVBGMAQNMHO-AWEZNQCLSA-N 1 0 335.787 3.252 20 10 EGCDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000281008562 456108743 /nfs/dbraw/zinc/10/87/43/456108743.db2.gz YJOFVPPMCVAKAU-DFQSSKMNSA-N 1 0 346.515 3.363 20 10 EGCDRO COCCOCc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000289623189 456133483 /nfs/dbraw/zinc/13/34/83/456133483.db2.gz FTCYBUHJPSZBCD-UHFFFAOYSA-N 1 0 346.446 3.345 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)CCCOCc2ccccc2)cc1OC ZINC000281213573 456166232 /nfs/dbraw/zinc/16/62/32/456166232.db2.gz JWLQVOPWNINKEI-UHFFFAOYSA-N 1 0 345.439 3.448 20 10 EGCDRO OCCO[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271208840 456173570 /nfs/dbraw/zinc/17/35/70/456173570.db2.gz XHXKWCZJJGSQCU-LJQANCHMSA-N 1 0 327.424 3.033 20 10 EGCDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263688846 456193032 /nfs/dbraw/zinc/19/30/32/456193032.db2.gz OFXJGPIIPXJXJJ-LSDHHAIUSA-N 1 0 326.440 3.452 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)c1 ZINC000273381855 456227073 /nfs/dbraw/zinc/22/70/73/456227073.db2.gz IIGKPIBBUKOGAG-LBPRGKRZSA-N 1 0 347.411 3.277 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c(O)c1C ZINC000273438415 456229773 /nfs/dbraw/zinc/22/97/73/456229773.db2.gz XPZLECOJVMMKMT-INIZCTEOSA-N 1 0 341.455 3.091 20 10 EGCDRO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)c(C)n1-c1ccc(F)cc1 ZINC000237101861 456233249 /nfs/dbraw/zinc/23/32/49/456233249.db2.gz ACBYCNCJOSQXHQ-UHFFFAOYSA-N 1 0 329.419 3.057 20 10 EGCDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccs1 ZINC000237123938 456235925 /nfs/dbraw/zinc/23/59/25/456235925.db2.gz LTOGDPFAHOUYBF-DNVCBOLYSA-N 1 0 343.496 3.072 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1cc(F)ccc1O ZINC000273574609 456239264 /nfs/dbraw/zinc/23/92/64/456239264.db2.gz LKFMQNMKOWRAQG-NWDGAFQWSA-N 1 0 328.387 3.462 20 10 EGCDRO COc1cccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1O ZINC000273709315 456243168 /nfs/dbraw/zinc/24/31/68/456243168.db2.gz KPAXYEYVJYPVPB-UHFFFAOYSA-N 1 0 327.424 3.321 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1O ZINC000274783218 456264886 /nfs/dbraw/zinc/26/48/86/456264886.db2.gz PTKNENJJOBFECH-ZWKOTPCHSA-N 1 0 339.439 3.019 20 10 EGCDRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000275013311 456267992 /nfs/dbraw/zinc/26/79/92/456267992.db2.gz RUWHHUBVCCVUSJ-LBPRGKRZSA-N 1 0 337.265 3.062 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000275332065 456272831 /nfs/dbraw/zinc/27/28/31/456272831.db2.gz NEMAHWNWCZPESL-RYUDHWBXSA-N 1 0 338.249 3.399 20 10 EGCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000275632304 456277999 /nfs/dbraw/zinc/27/79/99/456277999.db2.gz SJGQRTJONAFZKO-WMZOPIPTSA-N 1 0 346.450 3.118 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000281706771 456298605 /nfs/dbraw/zinc/29/86/05/456298605.db2.gz TUWHXTQGVCDSJF-SJORKVTESA-N 1 0 329.488 3.338 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1O ZINC000282364178 456490267 /nfs/dbraw/zinc/49/02/67/456490267.db2.gz HXCCFRKBTQYYAH-ZBFHGGJFSA-N 1 0 325.412 3.349 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc(F)ccc1O ZINC000282436897 456513106 /nfs/dbraw/zinc/51/31/06/456513106.db2.gz MSZPLCAWASDJCS-XJKSGUPXSA-N 1 0 343.402 3.488 20 10 EGCDRO COCCOCc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000291354567 456616488 /nfs/dbraw/zinc/61/64/88/456616488.db2.gz XOYLFVPHWDFXIG-HNNXBMFYSA-N 1 0 345.439 3.415 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1O)c1ccsc1 ZINC000299480598 456706545 /nfs/dbraw/zinc/70/65/45/456706545.db2.gz GWKPYQKUWZKQCF-INIZCTEOSA-N 1 0 347.484 3.336 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000283536030 456798780 /nfs/dbraw/zinc/79/87/80/456798780.db2.gz GSNSBQJINVRVFH-RDJZCZTQSA-N 1 0 345.487 3.329 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000349430195 456967789 /nfs/dbraw/zinc/96/77/89/456967789.db2.gz RFFULMBYNOGZQP-HNNXBMFYSA-N 1 0 342.487 3.160 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000352122907 457340497 /nfs/dbraw/zinc/34/04/97/457340497.db2.gz UNMRKDUNGWCGSH-FQEVSTJZSA-N 1 0 347.462 3.377 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC3(CCO)CCCC3)CC2)cc1 ZINC000378186094 457381551 /nfs/dbraw/zinc/38/15/51/457381551.db2.gz VPOZVCUHDOCMNU-UHFFFAOYSA-N 1 0 332.488 3.196 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000363846692 457455220 /nfs/dbraw/zinc/45/52/20/457455220.db2.gz LWIZRYMRCRPLQQ-GOSISDBHSA-N 1 0 349.434 3.341 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cnn4ccccc34)CC2)cc1 ZINC000361255966 457668966 /nfs/dbraw/zinc/66/89/66/457668966.db2.gz YIRYQVHSKBEYSC-UHFFFAOYSA-N 1 0 336.439 3.102 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000374994928 457747738 /nfs/dbraw/zinc/74/77/38/457747738.db2.gz BNZLLGAWNGTRNF-OLZOCXBDSA-N 1 0 340.261 3.322 20 10 EGCDRO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)OCO2 ZINC000362389246 458146454 /nfs/dbraw/zinc/14/64/54/458146454.db2.gz NBVJNSOGBDQUTE-UZLBHIALSA-N 1 0 341.407 3.209 20 10 EGCDRO c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC000376478659 458312911 /nfs/dbraw/zinc/31/29/11/458312911.db2.gz PKOSLBIFOOIZNZ-IBGZPJMESA-N 1 0 338.451 3.007 20 10 EGCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2c(C)c3ccccc3n2C)C[C@H]1C ZINC000472222347 458775323 /nfs/dbraw/zinc/77/53/23/458775323.db2.gz HWJGDGSIEDFYLG-CABCVRRESA-N 1 0 342.487 3.111 20 10 EGCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCCCCc4ccccc43)c21 ZINC000592537153 459629433 /nfs/dbraw/zinc/62/94/33/459629433.db2.gz PKPRCGXBNYVIKG-INIZCTEOSA-N 1 0 338.455 3.092 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000584775777 459800669 /nfs/dbraw/zinc/80/06/69/459800669.db2.gz SRIDYFHYFRWQNB-UHFFFAOYSA-N 1 0 342.464 3.050 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000727470117 574669768 /nfs/dbraw/zinc/66/97/68/574669768.db2.gz BSGNSZGBFXMNSP-UHFFFAOYSA-N 1 0 336.439 3.330 20 10 EGCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)c3ccc(F)cc3F)ccc21 ZINC000727643610 574680162 /nfs/dbraw/zinc/68/01/62/574680162.db2.gz FTUWTLMMBNJPJG-LJQANCHMSA-N 1 0 332.394 3.170 20 10 EGCDRO CN(C)C(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727642766 574680394 /nfs/dbraw/zinc/68/03/94/574680394.db2.gz LAJOGXNIWIGIEQ-UHFFFAOYSA-N 1 0 334.464 3.015 20 10 EGCDRO CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000729535229 574869107 /nfs/dbraw/zinc/86/91/07/574869107.db2.gz NMJQNAUISQQYLL-IFXJQAMLSA-N 1 0 342.439 3.271 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C=C3CCCC3)cc2F)CC1 ZINC000730194211 574940417 /nfs/dbraw/zinc/94/04/17/574940417.db2.gz AIUQDJNMFGIYAE-UHFFFAOYSA-N 1 0 345.462 3.084 20 10 EGCDRO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2O)cc1C ZINC000731843420 575211962 /nfs/dbraw/zinc/21/19/62/575211962.db2.gz FDUOLXSYZXFATQ-INIZCTEOSA-N 1 0 326.440 3.318 20 10 EGCDRO O=C1OCCN1c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733325422 575327680 /nfs/dbraw/zinc/32/76/80/575327680.db2.gz LVTMOMDMADBNJR-UHFFFAOYSA-N 1 0 332.787 3.292 20 10 EGCDRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Cl)ccc1O ZINC000734844920 575559431 /nfs/dbraw/zinc/55/94/31/575559431.db2.gz DIBMKIZGCYTTPI-HNNXBMFYSA-N 1 0 330.815 3.220 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000741752658 576717091 /nfs/dbraw/zinc/71/70/91/576717091.db2.gz DGHXAZJEAWIXSV-UHFFFAOYSA-N 1 0 325.456 3.171 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000742246386 576762120 /nfs/dbraw/zinc/76/21/20/576762120.db2.gz ILBXABKVSDHGNV-CALCHBBNSA-N 1 0 331.504 3.362 20 10 EGCDRO COc1ccc(N2CCN(CC[NH2+]C3CCC(C)(C)CC3)CC2)cc1 ZINC000742369233 576774513 /nfs/dbraw/zinc/77/45/13/576774513.db2.gz PJPQSXGTALIZQB-UHFFFAOYSA-N 1 0 345.531 3.376 20 10 EGCDRO CCOC(=O)CC[N@@H+](Cc1c(O)ccc2ccncc21)CC1CC1 ZINC000743357761 576806677 /nfs/dbraw/zinc/80/66/77/576806677.db2.gz MKEVLNNSSVMFGT-UHFFFAOYSA-N 1 0 328.412 3.106 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c(O)c1 ZINC000877572305 1299407456 /nfs/dbraw/zinc/40/74/56/1299407456.db2.gz OMZRIUAQWUKOFO-NXHRZFHOSA-N 1 0 329.444 3.184 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1ccc(C)cc1O ZINC000794803814 1309598733 /nfs/dbraw/zinc/59/87/33/1309598733.db2.gz SDVOSNYMBSZOPD-QFBILLFUSA-N 1 0 329.440 3.490 20 10 EGCDRO Oc1ccc2oc3c(c2c1C[NH+]1CCC2(CC1)OCCO2)CCCC3 ZINC000054453632 1291752619 /nfs/dbraw/zinc/75/26/19/1291752619.db2.gz XTZCIGFQMCKXIC-UHFFFAOYSA-N 1 0 343.423 3.356 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCOCC34CCC4)cc2)CC1 ZINC000828443753 1292463124 /nfs/dbraw/zinc/46/31/24/1292463124.db2.gz ZNDBGADZNALVMF-UHFFFAOYSA-N 1 0 330.472 3.057 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)[C@H]1CCCO1 ZINC000828808475 1292502242 /nfs/dbraw/zinc/50/22/42/1292502242.db2.gz QCOCVDAWYPLZNI-WOJBJXKFSA-N 1 0 332.488 3.349 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)ccc1N1CCCCC1 ZINC000828978860 1292526041 /nfs/dbraw/zinc/52/60/41/1292526041.db2.gz HVFNVNDYKMNHNO-GOSISDBHSA-N 1 0 325.460 3.024 20 10 EGCDRO CCC(CC)[C@@H](CNC(=O)N(C)Cc1ccccc1O)[NH+]1CCCC1 ZINC000079125191 1292543011 /nfs/dbraw/zinc/54/30/11/1292543011.db2.gz NSNLEGWXIXWIGO-GOSISDBHSA-N 1 0 347.503 3.434 20 10 EGCDRO COCC[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829979541 1292650149 /nfs/dbraw/zinc/65/01/49/1292650149.db2.gz GPFVGVGEBZKNAO-IBGZPJMESA-N 1 0 332.488 3.223 20 10 EGCDRO Nc1ccc(CC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000831827293 1292923444 /nfs/dbraw/zinc/92/34/44/1292923444.db2.gz LBCINARDBBKWKW-HXUWFJFHSA-N 1 0 337.467 3.155 20 10 EGCDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266132 1292978325 /nfs/dbraw/zinc/97/83/25/1292978325.db2.gz CWAAOLABGMWZQM-IXDOHACOSA-N 1 0 343.496 3.042 20 10 EGCDRO Cc1ccc(C(C)(C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832267588 1292979258 /nfs/dbraw/zinc/97/92/58/1292979258.db2.gz WPOVLMXTHXCSGS-LJQANCHMSA-N 1 0 339.483 3.155 20 10 EGCDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000832272699 1292979278 /nfs/dbraw/zinc/97/92/78/1292979278.db2.gz JFGBGCOINHOZOP-KUHUBIRLSA-N 1 0 343.446 3.202 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000104192864 1293020315 /nfs/dbraw/zinc/02/03/15/1293020315.db2.gz GPWZQWKTLZZBIC-OAHLLOKOSA-N 1 0 331.485 3.322 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000110656972 1293099561 /nfs/dbraw/zinc/09/95/61/1293099561.db2.gz QSIZHBOEZHEBSJ-INIZCTEOSA-N 1 0 325.456 3.307 20 10 EGCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000834522428 1293110128 /nfs/dbraw/zinc/11/01/28/1293110128.db2.gz CTZYKGOUVZZXTL-WBVHZDCISA-N 1 0 331.504 3.303 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](Cn3cccn3)C(C)C)CC2)cc1 ZINC000834558894 1293117315 /nfs/dbraw/zinc/11/73/15/1293117315.db2.gz SFTYXFHLIYGIME-FQEVSTJZSA-N 1 0 342.487 3.175 20 10 EGCDRO COc1ccc(-n2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)n2)cc1 ZINC000834566376 1293117439 /nfs/dbraw/zinc/11/74/39/1293117439.db2.gz LTMPYGSSFLVJRW-GOSISDBHSA-N 1 0 335.407 3.364 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](Cn3cccn3)C(C)C)CC2)cc1 ZINC000834558895 1293117799 /nfs/dbraw/zinc/11/77/99/1293117799.db2.gz SFTYXFHLIYGIME-HXUWFJFHSA-N 1 0 342.487 3.175 20 10 EGCDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCCN1Cc1ccccc1 ZINC000834692443 1293132336 /nfs/dbraw/zinc/13/23/36/1293132336.db2.gz BIBGNEWJZFZMBY-ZWKOTPCHSA-N 1 0 336.435 3.160 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)c2c1c(F)ccc2O ZINC000834828093 1293154829 /nfs/dbraw/zinc/15/48/29/1293154829.db2.gz OTDVEJGPDYIDPV-XFJVYGCCSA-N 1 0 333.378 3.412 20 10 EGCDRO CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(C(F)(F)F)cc1O ZINC000834907887 1293172509 /nfs/dbraw/zinc/17/25/09/1293172509.db2.gz FOUHVUBFKXISKQ-DOMZBBRYSA-N 1 0 330.350 3.120 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(C)cc1O ZINC000834910216 1293174171 /nfs/dbraw/zinc/17/41/71/1293174171.db2.gz CLUSBGPKUZKNDH-QILLFSRXSA-N 1 0 329.444 3.395 20 10 EGCDRO Cc1cnc(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000835061751 1293195804 /nfs/dbraw/zinc/19/58/04/1293195804.db2.gz NMQRMFNQGAWFHN-UHFFFAOYSA-N 1 0 338.377 3.202 20 10 EGCDRO O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C[C@H]2CCCCN12 ZINC000835074661 1293201024 /nfs/dbraw/zinc/20/10/24/1293201024.db2.gz SMBCFUOVNWBYHG-RTBURBONSA-N 1 0 336.435 3.302 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000123841003 1293457510 /nfs/dbraw/zinc/45/75/10/1293457510.db2.gz IQPRBIFCUIPAHZ-FQEVSTJZSA-N 1 0 338.451 3.257 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000123964786 1293461663 /nfs/dbraw/zinc/46/16/63/1293461663.db2.gz HLGQIGRMEABRQG-QGZVFWFLSA-N 1 0 349.494 3.189 20 10 EGCDRO CC(C)OC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000130188822 1293647607 /nfs/dbraw/zinc/64/76/07/1293647607.db2.gz USTXYMHZGNKKKT-UHFFFAOYSA-N 1 0 332.488 3.349 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000131379071 1293688496 /nfs/dbraw/zinc/68/84/96/1293688496.db2.gz YSNSWDCYTVLTIR-OAHLLOKOSA-N 1 0 332.488 3.313 20 10 EGCDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000133879493 1293756683 /nfs/dbraw/zinc/75/66/83/1293756683.db2.gz IIGUEURRPVAHNK-MRXNPFEDSA-N 1 0 329.419 3.057 20 10 EGCDRO CC[N@H+](CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1CC1 ZINC000152364145 1293965617 /nfs/dbraw/zinc/96/56/17/1293965617.db2.gz QXKMIHVMWRQFNH-UHFFFAOYSA-N 1 0 329.488 3.023 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@](C)(OC)C3(C)C)CC2)cc1 ZINC000155150763 1294086503 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CCCCN(C)C(=O)C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000178862613 1294757939 /nfs/dbraw/zinc/75/79/39/1294757939.db2.gz GRSBVZIKMMHTAM-UHFFFAOYSA-N 1 0 348.487 3.180 20 10 EGCDRO COc1cc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c(O)cc1C ZINC000179436798 1294794760 /nfs/dbraw/zinc/79/47/60/1294794760.db2.gz DJKDVLBXCHHNLM-LJQANCHMSA-N 1 0 331.387 3.422 20 10 EGCDRO CN(C)C(=O)CC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000180559890 1294898853 /nfs/dbraw/zinc/89/88/53/1294898853.db2.gz CZAOXIVLBUEZPV-UHFFFAOYSA-N 1 0 348.487 3.086 20 10 EGCDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000182312876 1295033701 /nfs/dbraw/zinc/03/37/01/1295033701.db2.gz HAUKCDIIYUBVDD-UHFFFAOYSA-N 1 0 342.439 3.130 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccc(F)cc2)c1 ZINC000182355498 1295038761 /nfs/dbraw/zinc/03/87/61/1295038761.db2.gz QYGLDQTVYVZGKA-LBPRGKRZSA-N 1 0 332.375 3.219 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)c1 ZINC000182407800 1295044364 /nfs/dbraw/zinc/04/43/64/1295044364.db2.gz YHHGOEKBUQEQBN-HZPDHXFCSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c(O)cc1C ZINC000182948879 1295086576 /nfs/dbraw/zinc/08/65/76/1295086576.db2.gz OJJITEWEZSESJL-GOSISDBHSA-N 1 0 327.424 3.153 20 10 EGCDRO OCC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCC1 ZINC000183233515 1295105832 /nfs/dbraw/zinc/10/58/32/1295105832.db2.gz QEYSCVUWOWFARN-UHFFFAOYSA-N 1 0 327.424 3.223 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1O ZINC000183396141 1295115510 /nfs/dbraw/zinc/11/55/10/1295115510.db2.gz JCMPMTWMNXOWEH-LPHOPBHVSA-N 1 0 326.440 3.116 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(O)cc1C ZINC000184802026 1295220188 /nfs/dbraw/zinc/22/01/88/1295220188.db2.gz DRUURTOMKMLKIP-FQEVSTJZSA-N 1 0 325.408 3.341 20 10 EGCDRO CC[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccccc1O ZINC000185212634 1295247616 /nfs/dbraw/zinc/24/76/16/1295247616.db2.gz VPZFWZOYUKMTII-GOSISDBHSA-N 1 0 326.440 3.377 20 10 EGCDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000215927012 1296119256 /nfs/dbraw/zinc/11/92/56/1296119256.db2.gz DDUAAAKMURSWIO-MDZRGWNJSA-N 1 0 331.504 3.125 20 10 EGCDRO CC(C)[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000303589893 1296840135 /nfs/dbraw/zinc/84/01/35/1296840135.db2.gz HIVKGRVAOKESQV-IBGZPJMESA-N 1 0 345.531 3.469 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(O)(C(F)(F)F)CC1)CCCC2 ZINC000305741275 1297039945 /nfs/dbraw/zinc/03/99/45/1297039945.db2.gz ZMCRJQPTFCMMHC-UHFFFAOYSA-N 1 0 329.362 3.160 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000324826879 1297216259 /nfs/dbraw/zinc/21/62/59/1297216259.db2.gz BFZKTGSSUIZAGI-CYBMUJFWSA-N 1 0 334.460 3.089 20 10 EGCDRO C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[NH2+]1 ZINC000326194840 1297233779 /nfs/dbraw/zinc/23/37/79/1297233779.db2.gz QDLUFDNJIKXLEE-SJLPKXTDSA-N 1 0 329.488 3.023 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1Cn1cccn1 ZINC000873103418 1297273081 /nfs/dbraw/zinc/27/30/81/1297273081.db2.gz BVPGHNDPGLJGSK-IAGOWNOFSA-N 1 0 343.471 3.235 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1O ZINC000873179118 1297329600 /nfs/dbraw/zinc/32/96/00/1297329600.db2.gz CXNOPIVYJQXVKJ-INIZCTEOSA-N 1 0 335.831 3.138 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c(O)c1 ZINC000873179265 1297330102 /nfs/dbraw/zinc/33/01/02/1297330102.db2.gz GBLBZHZXZBEFGV-MRXNPFEDSA-N 1 0 335.831 3.138 20 10 EGCDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379660162 1297536515 /nfs/dbraw/zinc/53/65/15/1297536515.db2.gz BTUYQYDYHZVDDV-BEFAXECRSA-N 1 0 338.455 3.443 20 10 EGCDRO C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000382761667 1297565373 /nfs/dbraw/zinc/56/53/73/1297565373.db2.gz ZLXCDKDMEPSRST-INIZCTEOSA-N 1 0 338.455 3.397 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000385490026 1297583542 /nfs/dbraw/zinc/58/35/42/1297583542.db2.gz HXXHZUKXRHNJMZ-MJGOQNOKSA-N 1 0 340.467 3.252 20 10 EGCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cccc(OC)c1O ZINC000387704269 1297598014 /nfs/dbraw/zinc/59/80/14/1297598014.db2.gz XVFYNSPVJJPJNW-CYBMUJFWSA-N 1 0 338.448 3.136 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000702555041 1298195304 /nfs/dbraw/zinc/19/53/04/1298195304.db2.gz YKBLNBXNRJWGPE-CTNGQTDRSA-N 1 0 340.467 3.070 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(COCc2ccccc2)OC)c1 ZINC000702805048 1298197721 /nfs/dbraw/zinc/19/77/21/1298197721.db2.gz QHPWLTIJZKALJI-HXUWFJFHSA-N 1 0 345.439 3.112 20 10 EGCDRO COC[C@@H]1CCCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707146253 1298226861 /nfs/dbraw/zinc/22/68/61/1298226861.db2.gz KWCQLADQVLQCBK-GFCCVEGCSA-N 1 0 328.250 3.403 20 10 EGCDRO Cc1cc(CNC(=O)N2CCn3cncc3C2)c(C)n1-c1ccccc1 ZINC000875880778 1298507862 /nfs/dbraw/zinc/50/78/62/1298507862.db2.gz ODVABVZAWKVXFJ-UHFFFAOYSA-N 1 0 349.438 3.016 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000876637166 1298887485 /nfs/dbraw/zinc/88/74/85/1298887485.db2.gz RTEPJYFVVARVCT-UHFFFAOYSA-N 1 0 345.487 3.297 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(O)c1 ZINC000876654619 1298900351 /nfs/dbraw/zinc/90/03/51/1298900351.db2.gz KSVYLVWDFZBFEA-QGZVFWFLSA-N 1 0 343.402 3.236 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCOc2ccc(F)cc2)c1O ZINC000748050533 1298917318 /nfs/dbraw/zinc/91/73/18/1298917318.db2.gz FXGQDIRSLZEOLP-UHFFFAOYSA-N 1 0 335.350 3.384 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2OCCCCO)cc1 ZINC000876905181 1299059954 /nfs/dbraw/zinc/05/99/54/1299059954.db2.gz DZNSZALNGBYRCZ-UHFFFAOYSA-N 1 0 328.456 3.194 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCCC1 ZINC000876965219 1299092474 /nfs/dbraw/zinc/09/24/74/1299092474.db2.gz FGTWDSBTFVZJLB-NRFANRHFSA-N 1 0 346.515 3.190 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C)cc3O)CC2)cc1 ZINC000876999789 1299108870 /nfs/dbraw/zinc/10/88/70/1299108870.db2.gz YYUNBPHWVNSRJZ-UHFFFAOYSA-N 1 0 326.440 3.468 20 10 EGCDRO COc1ccc(CC[NH2+]Cc2c(C)cccc2O)c(OC)c1OC ZINC000877003911 1299109529 /nfs/dbraw/zinc/10/95/29/1299109529.db2.gz CJYTWOYEFLAFLK-UHFFFAOYSA-N 1 0 331.412 3.059 20 10 EGCDRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000877145586 1299180416 /nfs/dbraw/zinc/18/04/16/1299180416.db2.gz METPISLHXMCXDP-UHFFFAOYSA-N 1 0 326.440 3.472 20 10 EGCDRO Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877167601 1299191009 /nfs/dbraw/zinc/19/10/09/1299191009.db2.gz CYDQYNALYIMCFY-HUUCEWRRSA-N 1 0 334.460 3.436 20 10 EGCDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877317456 1299246847 /nfs/dbraw/zinc/24/68/47/1299246847.db2.gz OGOLEBXQGXPDRR-INIZCTEOSA-N 1 0 325.456 3.236 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000877501634 1299352536 /nfs/dbraw/zinc/35/25/36/1299352536.db2.gz SPSBIUJDIRANOV-MRXNPFEDSA-N 1 0 326.440 3.352 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c(O)c1 ZINC000877582477 1299414215 /nfs/dbraw/zinc/41/42/15/1299414215.db2.gz XWZINRSODMTTPL-UHFFFAOYSA-N 1 0 348.393 3.105 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000877592478 1299419911 /nfs/dbraw/zinc/41/99/11/1299419911.db2.gz PRJLJNIWHNAMMJ-JZXOWHBKSA-N 1 0 331.504 3.029 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000877661937 1299463185 /nfs/dbraw/zinc/46/31/85/1299463185.db2.gz JXJKDXBCSYLWSQ-AEFFLSMTSA-N 1 0 335.350 3.299 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1OC ZINC000877662408 1299463290 /nfs/dbraw/zinc/46/32/90/1299463290.db2.gz QWUOBPGFWGBNBK-BEFAXECRSA-N 1 0 329.396 3.029 20 10 EGCDRO CCOCc1cc(C[NH2+]C2CCC(C(=O)OCC)CC2)ccc1OC ZINC000877717086 1299503368 /nfs/dbraw/zinc/50/33/68/1299503368.db2.gz GBUWAOGHGCUKLX-UHFFFAOYSA-N 1 0 349.471 3.443 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000877773103 1299549433 /nfs/dbraw/zinc/54/94/33/1299549433.db2.gz DXAFBAQPLAZFJC-UHFFFAOYSA-N 1 0 331.504 3.141 20 10 EGCDRO Cc1cc(C(=O)NCC[NH+]2CCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000752295458 1299720605 /nfs/dbraw/zinc/72/06/05/1299720605.db2.gz JRWCMEBDPMINRN-UHFFFAOYSA-N 1 0 325.456 3.146 20 10 EGCDRO C[C@@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccccc1O ZINC000878280235 1299887680 /nfs/dbraw/zinc/88/76/80/1299887680.db2.gz BKTQDVISYUPVLS-CQSZACIVSA-N 1 0 343.427 3.215 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c1O ZINC000753585045 1299981888 /nfs/dbraw/zinc/98/18/88/1299981888.db2.gz FEQRFALYPNLOEP-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000754354559 1300129338 /nfs/dbraw/zinc/12/93/38/1300129338.db2.gz NVZPGXREBCBHBR-INIZCTEOSA-N 1 0 348.535 3.308 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000756430992 1300488103 /nfs/dbraw/zinc/48/81/03/1300488103.db2.gz LMVBHYPOUMEGJV-HZPDHXFCSA-N 1 0 348.487 3.342 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756442211 1300492814 /nfs/dbraw/zinc/49/28/14/1300492814.db2.gz CPDXLCCTIKNQAZ-MRXNPFEDSA-N 1 0 326.440 3.398 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1 ZINC000756454293 1300494740 /nfs/dbraw/zinc/49/47/40/1300494740.db2.gz LERKIRFSJJWAIB-KDOFPFPSSA-N 1 0 342.439 3.271 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c(O)c1 ZINC000756482298 1300503339 /nfs/dbraw/zinc/50/33/39/1300503339.db2.gz ZTKNKRNCZDPNTL-CYBMUJFWSA-N 1 0 332.831 3.435 20 10 EGCDRO C[C@H]([NH2+]CCCN1CCCCC1=O)c1cc2c(cc1O)CCCC2 ZINC000756553528 1300520512 /nfs/dbraw/zinc/52/05/12/1300520512.db2.gz GRXXNEZURJLJDJ-HNNXBMFYSA-N 1 0 330.472 3.324 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCCc3ccccc32)c1 ZINC000756562217 1300521540 /nfs/dbraw/zinc/52/15/40/1300521540.db2.gz IPHSQLAFEHEGIM-VLIAUNLRSA-N 1 0 327.424 3.276 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)c2c1c(F)ccc2O ZINC000756769552 1300562464 /nfs/dbraw/zinc/56/24/64/1300562464.db2.gz FYPCUVOHPTZWLT-UMVBOHGHSA-N 1 0 327.403 3.343 20 10 EGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C2 ZINC000756774948 1300563731 /nfs/dbraw/zinc/56/37/31/1300563731.db2.gz MPRQQQZXHYWTLY-GXFFZTMASA-N 1 0 335.350 3.333 20 10 EGCDRO CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648332 1300647210 /nfs/dbraw/zinc/64/72/10/1300647210.db2.gz KFMPNFCPVZMVOD-OAHLLOKOSA-N 1 0 342.439 3.148 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000758521320 1300901812 /nfs/dbraw/zinc/90/18/12/1300901812.db2.gz CMVQNKMKUYFCOQ-AZUAARDMSA-N 1 0 345.414 3.186 20 10 EGCDRO CN(C)c1ccc(C[N@H+](CCNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000759784956 1301160328 /nfs/dbraw/zinc/16/03/28/1301160328.db2.gz OXUXTSVHYPGDIF-UHFFFAOYSA-N 1 0 333.476 3.242 20 10 EGCDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C2 ZINC000760000300 1301207710 /nfs/dbraw/zinc/20/77/10/1301207710.db2.gz VLACUHGUCRIZTE-KRWDZBQOSA-N 1 0 326.440 3.163 20 10 EGCDRO CC(C)=C(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761982850 1301582625 /nfs/dbraw/zinc/58/26/25/1301582625.db2.gz UZIWUHKDZMONQI-INIZCTEOSA-N 1 0 336.863 3.483 20 10 EGCDRO CCCN(CC[NH+](CC)CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000763489895 1301913492 /nfs/dbraw/zinc/91/34/92/1301913492.db2.gz ADKZZOKXNIZUJW-UHFFFAOYSA-N 1 0 334.508 3.016 20 10 EGCDRO Oc1c(F)cc(F)cc1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000883006879 1302202133 /nfs/dbraw/zinc/20/21/33/1302202133.db2.gz GDKVOXKWTFHQBE-UHFFFAOYSA-N 1 0 348.393 3.239 20 10 EGCDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765333961 1302248273 /nfs/dbraw/zinc/24/82/73/1302248273.db2.gz OCWVIIFPPMMCDP-HNNXBMFYSA-N 1 0 335.467 3.335 20 10 EGCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765857814 1302340517 /nfs/dbraw/zinc/34/05/17/1302340517.db2.gz GKPXBWYISZTUNX-AZUAARDMSA-N 1 0 345.531 3.438 20 10 EGCDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000765899429 1302346628 /nfs/dbraw/zinc/34/66/28/1302346628.db2.gz NBPSRYSYWKFFOV-ZWKOTPCHSA-N 1 0 332.488 3.381 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000765969349 1302358231 /nfs/dbraw/zinc/35/82/31/1302358231.db2.gz ARZHVYINSXOKOL-MORSLUCNSA-N 1 0 338.879 3.131 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnccn1 ZINC000765994739 1302366009 /nfs/dbraw/zinc/36/60/09/1302366009.db2.gz RNUDUMHDVHIIKN-CJNGLKHVSA-N 1 0 346.862 3.151 20 10 EGCDRO Cc1csc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883290765 1302369584 /nfs/dbraw/zinc/36/95/84/1302369584.db2.gz GDRXERJFPHLPAX-OAHLLOKOSA-N 1 0 330.501 3.054 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1C(C)C ZINC000766666701 1302497680 /nfs/dbraw/zinc/49/76/80/1302497680.db2.gz FETIPXCAMOWAGR-MRXNPFEDSA-N 1 0 339.501 3.223 20 10 EGCDRO COc1cccc(O)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000768336747 1302882241 /nfs/dbraw/zinc/88/22/41/1302882241.db2.gz LRMCKWUDYIOJPM-UHFFFAOYSA-N 1 0 328.368 3.474 20 10 EGCDRO CC[N@H+](Cc1ccccc1Cl)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439888 1302900826 /nfs/dbraw/zinc/90/08/26/1302900826.db2.gz OPXGHPUAUMGGEQ-QGZVFWFLSA-N 1 0 333.815 3.494 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccccc3F)CC1)[C@@H](O)CO2 ZINC000768447263 1302908109 /nfs/dbraw/zinc/90/81/09/1302908109.db2.gz NXMMGSUNPDKWON-IBGZPJMESA-N 1 0 343.398 3.337 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(c3cccnc3)CC2)cc1OC ZINC000768469798 1302913343 /nfs/dbraw/zinc/91/33/43/1302913343.db2.gz WZOCVOLKOMJASD-UHFFFAOYSA-N 1 0 328.412 3.184 20 10 EGCDRO CCOc1ccc(C[N@H+](CCOC)CCc2ccccc2)c(O)c1 ZINC000768583088 1302939622 /nfs/dbraw/zinc/93/96/22/1302939622.db2.gz FQLHRZWSPXLRRT-UHFFFAOYSA-N 1 0 329.440 3.482 20 10 EGCDRO CC(C)(C)[N@@H+]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000769184639 1303066494 /nfs/dbraw/zinc/06/64/94/1303066494.db2.gz CPJBFAUPLREOCH-UHFFFAOYSA-N 1 0 341.293 3.461 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000769330264 1303094033 /nfs/dbraw/zinc/09/40/33/1303094033.db2.gz CJFXFPSGVLMZCQ-KRWDZBQOSA-N 1 0 347.503 3.441 20 10 EGCDRO OC[C@H](C[NH2+]Cc1ccccc1O)Cc1ccccc1C(F)(F)F ZINC000769419241 1303109547 /nfs/dbraw/zinc/10/95/47/1303109547.db2.gz MBKLPHKXZZRHPV-ZDUSSCGKSA-N 1 0 339.357 3.352 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(O)c1 ZINC000769485220 1303123164 /nfs/dbraw/zinc/12/31/64/1303123164.db2.gz LYBZZKACBVKHPI-NRFANRHFSA-N 1 0 339.435 3.465 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000770294453 1303246142 /nfs/dbraw/zinc/24/61/42/1303246142.db2.gz ZGQBWUACSGAKOC-VQIMIIECSA-N 1 0 347.459 3.178 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000886147582 1303374074 /nfs/dbraw/zinc/37/40/74/1303374074.db2.gz WNALRUIVQXYFNB-MJGOQNOKSA-N 1 0 346.515 3.310 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000771388936 1303397537 /nfs/dbraw/zinc/39/75/37/1303397537.db2.gz KVCVMGWLCAHOGH-DLBZAZTESA-N 1 0 338.879 3.169 20 10 EGCDRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000886228599 1303403773 /nfs/dbraw/zinc/40/37/73/1303403773.db2.gz BVYNNEKTTATBPU-OALUTQOASA-N 1 0 327.424 3.079 20 10 EGCDRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000771570703 1303422384 /nfs/dbraw/zinc/42/23/84/1303422384.db2.gz GHRLJVGPSZJHAA-UHFFFAOYSA-N 1 0 343.446 3.399 20 10 EGCDRO C[C@@]1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCOC1 ZINC000771894037 1303456159 /nfs/dbraw/zinc/45/61/59/1303456159.db2.gz USBMKRRAUGLXGC-GOSISDBHSA-N 1 0 333.432 3.244 20 10 EGCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886748904 1303583747 /nfs/dbraw/zinc/58/37/47/1303583747.db2.gz CFDFADGGHWSIJC-OAHLLOKOSA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886751323 1303584141 /nfs/dbraw/zinc/58/41/41/1303584141.db2.gz NDAXXBJVUPOLIU-JXXFODFXSA-N 1 0 343.515 3.303 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000886751360 1303584861 /nfs/dbraw/zinc/58/48/61/1303584861.db2.gz ONFKQPHIMVNELD-OALUTQOASA-N 1 0 343.515 3.303 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(N2CCCCC2)cc1 ZINC000773075497 1303619228 /nfs/dbraw/zinc/61/92/28/1303619228.db2.gz XBJUPBJJOSKPGL-ABSDTBQOSA-N 1 0 331.504 3.047 20 10 EGCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773131104 1303630395 /nfs/dbraw/zinc/63/03/95/1303630395.db2.gz JZDUWXPJIXYZKF-KYJSFNMBSA-N 1 0 347.478 3.381 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000773754479 1303734863 /nfs/dbraw/zinc/73/48/63/1303734863.db2.gz FYYXDXWEIBHERV-IBGZPJMESA-N 1 0 329.488 3.120 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000774485935 1303816006 /nfs/dbraw/zinc/81/60/06/1303816006.db2.gz VFILSWPWXFXBON-CRAIPNDOSA-N 1 0 331.504 3.440 20 10 EGCDRO COCC[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000775034044 1303891676 /nfs/dbraw/zinc/89/16/76/1303891676.db2.gz PPQRACJVWNYMSE-FQEVSTJZSA-N 1 0 327.424 3.344 20 10 EGCDRO COc1c(O)c(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775055204 1303895865 /nfs/dbraw/zinc/89/58/65/1303895865.db2.gz QWYSFPJXBGSRBD-KOLCDFICSA-N 1 0 348.321 3.472 20 10 EGCDRO CCCN(Cc1cc2c(c(OC)c1)OCO2)c1ccc(C[NH3+])cc1 ZINC000775141134 1303915337 /nfs/dbraw/zinc/91/53/37/1303915337.db2.gz XCLJASKLODRKED-UHFFFAOYSA-N 1 0 328.412 3.299 20 10 EGCDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000775183072 1303920417 /nfs/dbraw/zinc/92/04/17/1303920417.db2.gz GHGRIGCOSSUNMP-IBGZPJMESA-N 1 0 335.444 3.489 20 10 EGCDRO C[C@H]([NH2+]CCCCCn1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000775257358 1303931037 /nfs/dbraw/zinc/93/10/37/1303931037.db2.gz IFMUVEVZYJQZSD-SFHVURJKSA-N 1 0 342.487 3.241 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000775371448 1303948526 /nfs/dbraw/zinc/94/85/26/1303948526.db2.gz XYFVSCUHEJTXIW-GJZGRUSLSA-N 1 0 342.439 3.271 20 10 EGCDRO CCOC1CC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000775633091 1303999310 /nfs/dbraw/zinc/99/93/10/1303999310.db2.gz JTADAJOFSCMABV-GTPINHCMSA-N 1 0 338.879 3.167 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](CCO)CC(C)(C)C)c1O ZINC000775680777 1304013480 /nfs/dbraw/zinc/01/34/80/1304013480.db2.gz IQZBBMHIXGQSIL-UHFFFAOYSA-N 1 0 330.266 3.304 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCCCC2(C)C)cc1 ZINC000775683405 1304014573 /nfs/dbraw/zinc/01/45/73/1304014573.db2.gz RMWNWAZQYNOJCM-SFHVURJKSA-N 1 0 331.504 3.269 20 10 EGCDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000775834139 1304046555 /nfs/dbraw/zinc/04/65/55/1304046555.db2.gz KNNOCYMRRFRIHS-UONOGXRCSA-N 1 0 331.485 3.342 20 10 EGCDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833518 1304047049 /nfs/dbraw/zinc/04/70/49/1304047049.db2.gz KJXHAEWQAIXILR-FXAWDEMLSA-N 1 0 342.483 3.460 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccc(N(C)C)cc1 ZINC000775834298 1304047074 /nfs/dbraw/zinc/04/70/74/1304047074.db2.gz QLMFBRVRMIJCJD-ZDUSSCGKSA-N 1 0 338.407 3.415 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)CN2CCCCC2)c1O ZINC000775974845 1304072557 /nfs/dbraw/zinc/07/25/57/1304072557.db2.gz YKKYWZXHUHRJFO-ZDUSSCGKSA-N 1 0 341.293 3.427 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c1 ZINC000775984549 1304074440 /nfs/dbraw/zinc/07/44/40/1304074440.db2.gz WCWYDDFMISWORW-UHFFFAOYSA-N 1 0 331.803 3.231 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CC2(CO)CCCCC2)c1O ZINC000776230105 1304117752 /nfs/dbraw/zinc/11/77/52/1304117752.db2.gz GKAKIWRLZONWNC-UHFFFAOYSA-N 1 0 342.277 3.496 20 10 EGCDRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776236627 1304119020 /nfs/dbraw/zinc/11/90/20/1304119020.db2.gz AFUPIJFYPHPCKG-MRXNPFEDSA-N 1 0 346.519 3.329 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1Cl ZINC000776251613 1304121229 /nfs/dbraw/zinc/12/12/29/1304121229.db2.gz OGLCUCBNYTXFQU-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000776950304 1304222284 /nfs/dbraw/zinc/22/22/84/1304222284.db2.gz RRIJIMZFYIUJDS-QUCCMNQESA-N 1 0 332.488 3.207 20 10 EGCDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000779021850 1304519922 /nfs/dbraw/zinc/51/99/22/1304519922.db2.gz YHWUFEZNOYJEOH-MCIONIFRSA-N 1 0 346.450 3.322 20 10 EGCDRO OC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Br)cc1 ZINC000779104031 1304529109 /nfs/dbraw/zinc/52/91/09/1304529109.db2.gz KUYIAOGWNLZGDQ-CQSZACIVSA-N 1 0 340.192 3.117 20 10 EGCDRO Cc1cccc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000779161792 1304536460 /nfs/dbraw/zinc/53/64/60/1304536460.db2.gz JNJCFJZYAWPSKW-GJZGRUSLSA-N 1 0 334.460 3.436 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)c1 ZINC000779605728 1304586694 /nfs/dbraw/zinc/58/66/94/1304586694.db2.gz XXESGEALXDEIOU-OAHLLOKOSA-N 1 0 335.444 3.202 20 10 EGCDRO Cc1cc(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000780481605 1304698406 /nfs/dbraw/zinc/69/84/06/1304698406.db2.gz ZBFRSJHSVHYRIH-INIZCTEOSA-N 1 0 348.531 3.275 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)CCCOC(C)(C)C)[NH+](C)C)cc1 ZINC000891246612 1304999569 /nfs/dbraw/zinc/99/95/69/1304999569.db2.gz 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/nfs/dbraw/zinc/25/17/77/1310251777.db2.gz YFYFCQCHJJSZFY-IBGZPJMESA-N 1 0 332.488 3.039 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CC(c2nc(-c3ccccc3)no2)C1 ZINC000897320298 1310289278 /nfs/dbraw/zinc/28/92/78/1310289278.db2.gz SEXVKMNMUSMTBM-UHFFFAOYSA-N 1 0 337.379 3.050 20 10 EGCDRO Cc1[nH+]ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c1Cl ZINC000798390056 1310352376 /nfs/dbraw/zinc/35/23/76/1310352376.db2.gz KRZYNUKFBDBJEQ-CYBMUJFWSA-N 1 0 331.847 3.475 20 10 EGCDRO CC(=O)c1ccnc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000897521179 1310361120 /nfs/dbraw/zinc/36/11/20/1310361120.db2.gz DWIRVDBYWZUOGR-GOSISDBHSA-N 1 0 326.444 3.065 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897533919 1310366532 /nfs/dbraw/zinc/36/65/32/1310366532.db2.gz LHQWKEMLHQNJAS-BXUZGUMPSA-N 1 0 328.250 3.186 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](CO)CC3CCCC3)CC2)cc1 ZINC000798937689 1310461260 /nfs/dbraw/zinc/46/12/60/1310461260.db2.gz ODTZVTUXVOUYDW-GOSISDBHSA-N 1 0 346.515 3.442 20 10 EGCDRO O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000800311271 1310730331 /nfs/dbraw/zinc/73/03/31/1310730331.db2.gz FVEKBOUMPSDJCF-JXMROGBWSA-N 1 0 344.842 3.355 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)cc1 ZINC000800311985 1310730488 /nfs/dbraw/zinc/73/04/88/1310730488.db2.gz QCKVPMRTURGKAS-KAMYIIQDSA-N 1 0 337.467 3.062 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000898451900 1310742085 /nfs/dbraw/zinc/74/20/85/1310742085.db2.gz QLUBGIUFPSLISX-IBGZPJMESA-N 1 0 342.443 3.053 20 10 EGCDRO C[N@H+](CCOCCO)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000800545493 1310781541 /nfs/dbraw/zinc/78/15/41/1310781541.db2.gz STQVQAPLPYYVIN-UHFFFAOYSA-N 1 0 337.504 3.428 20 10 EGCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000800859701 1310819771 /nfs/dbraw/zinc/81/97/71/1310819771.db2.gz RIMNQLVXUKNWFO-QGZVFWFLSA-N 1 0 325.456 3.384 20 10 EGCDRO C[C@H](N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(C)CC1 ZINC000899102593 1310935532 /nfs/dbraw/zinc/93/55/32/1310935532.db2.gz RBOPTBRCAZCZGB-MAUKXSAKSA-N 1 0 346.519 3.185 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)CC(=O)NC)cc1 ZINC000825068820 1320307586 /nfs/dbraw/zinc/30/75/86/1320307586.db2.gz YGWXTKARZDWYDV-KRWDZBQOSA-N 1 0 339.483 3.327 20 10 EGCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(Br)cc1O ZINC000825396456 1320334996 /nfs/dbraw/zinc/33/49/96/1320334996.db2.gz ULJPLNVXLOTXLM-HZMBPMFUSA-N 1 0 340.217 3.350 20 10 EGCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000826049285 1320380845 /nfs/dbraw/zinc/38/08/45/1320380845.db2.gz PPEUNFHFJCTBFN-ZBFHGGJFSA-N 1 0 335.444 3.130 20 10 EGCDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839496076 1320928958 /nfs/dbraw/zinc/92/89/58/1320928958.db2.gz LSGZFGTUTYRVSX-AYBZRNKSSA-N 1 0 329.488 3.022 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)NCC2CCCCC2)c1 ZINC000839539744 1320935270 /nfs/dbraw/zinc/93/52/70/1320935270.db2.gz NWCWWNBZGMCKFU-AWEZNQCLSA-N 1 0 334.460 3.138 20 10 EGCDRO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)nc1 ZINC000858039734 1328667934 /nfs/dbraw/zinc/66/79/34/1328667934.db2.gz HVFMFUHJDVCZNU-SFHVURJKSA-N 1 0 325.456 3.418 20 10 EGCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805074128 1317314716 /nfs/dbraw/zinc/31/47/16/1317314716.db2.gz CTZKSSHIVKOBQU-SNVBAGLBSA-N 1 0 348.274 3.229 20 10 EGCDRO COc1cc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)ccc1O ZINC000858137716 1328692213 /nfs/dbraw/zinc/69/22/13/1328692213.db2.gz DXVCFYSEICHZFA-UHFFFAOYSA-N 1 0 336.382 3.077 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000806139400 1317464403 /nfs/dbraw/zinc/46/44/03/1317464403.db2.gz OSQSWVMWQGFBCZ-MRXNPFEDSA-N 1 0 335.455 3.493 20 10 EGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Br)C(=O)OC(C)(C)C ZINC000858185263 1328705634 /nfs/dbraw/zinc/70/56/34/1328705634.db2.gz AYUQQYWSEWVMJL-SNVBAGLBSA-N 1 0 344.249 3.222 20 10 EGCDRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807140826 1317552612 /nfs/dbraw/zinc/55/26/12/1317552612.db2.gz OOPMUKRFBDAGCS-QGZVFWFLSA-N 1 0 346.519 3.331 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC34CC4)C2)cc1C ZINC001020287758 1317628408 /nfs/dbraw/zinc/62/84/08/1317628408.db2.gz JSCMEJFTXYBITP-KZNAEPCWSA-N 1 0 342.483 3.321 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000808210153 1317645263 /nfs/dbraw/zinc/64/52/63/1317645263.db2.gz RMQMCVDBMPQAAD-INIZCTEOSA-N 1 0 344.499 3.442 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1cccs1 ZINC000808221653 1317646164 /nfs/dbraw/zinc/64/61/64/1317646164.db2.gz BQHOPKRCVVFZPO-YOEHRIQHSA-N 1 0 331.437 3.463 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000808436032 1317677304 /nfs/dbraw/zinc/67/73/04/1317677304.db2.gz IRFFHIUPQIFBNR-CYBMUJFWSA-N 1 0 348.830 3.146 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1O ZINC000808673463 1317712761 /nfs/dbraw/zinc/71/27/61/1317712761.db2.gz PPNWTHIXAPGPDX-RHSMWYFYSA-N 1 0 340.895 3.361 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)c1O ZINC000808710925 1317719972 /nfs/dbraw/zinc/71/99/72/1317719972.db2.gz QNMRZIWEPKAZDI-CQSZACIVSA-N 1 0 346.858 3.364 20 10 EGCDRO O=C1Nc2ccccc2C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858281766 1328728558 /nfs/dbraw/zinc/72/85/58/1328728558.db2.gz XRQIILQMQZLAAX-HXUWFJFHSA-N 1 0 335.451 3.330 20 10 EGCDRO [NH3+]C1(CNCc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000904445633 1317848158 /nfs/dbraw/zinc/84/81/58/1317848158.db2.gz YSYJHJYVRYWENA-UHFFFAOYSA-N 1 0 338.293 3.020 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[C@H]1O ZINC000809644271 1317855380 /nfs/dbraw/zinc/85/53/80/1317855380.db2.gz GGLGIXYCQOJIMJ-HTAPYJJXSA-N 1 0 336.479 3.452 20 10 EGCDRO CCOc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)c(O)c1 ZINC000809727973 1317880191 /nfs/dbraw/zinc/88/01/91/1317880191.db2.gz FSUROTXGNKJSFQ-UHFFFAOYSA-N 1 0 328.456 3.355 20 10 EGCDRO CCN(CCC[NH+]1CCCC1)Cc1cc(Cl)cc(OC)c1O ZINC000809750403 1317889726 /nfs/dbraw/zinc/88/97/26/1317889726.db2.gz USLKKKMUBITHKE-UHFFFAOYSA-N 1 0 326.868 3.362 20 10 EGCDRO C[NH+]1CCC([C@H]2CC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000809755170 1317891648 /nfs/dbraw/zinc/89/16/48/1317891648.db2.gz GWKLJNKJSNKVDA-ZDUSSCGKSA-N 1 0 326.843 3.348 20 10 EGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(OCC)ccc1O ZINC000809757277 1317893132 /nfs/dbraw/zinc/89/31/32/1317893132.db2.gz YCJYEYPTYUDUIT-UHFFFAOYSA-N 1 0 331.460 3.462 20 10 EGCDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000809757990 1317894044 /nfs/dbraw/zinc/89/40/44/1317894044.db2.gz YXCBUXAAWXGUFU-OAHLLOKOSA-N 1 0 328.250 3.282 20 10 EGCDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809767176 1317896177 /nfs/dbraw/zinc/89/61/77/1317896177.db2.gz GRSGGFYLDKVWDO-OAHLLOKOSA-N 1 0 326.481 3.236 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)cc1F ZINC000809777946 1317897315 /nfs/dbraw/zinc/89/73/15/1317897315.db2.gz JKEABBVLSXYQPP-KRWDZBQOSA-N 1 0 349.494 3.410 20 10 EGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000905051925 1317916521 /nfs/dbraw/zinc/91/65/21/1317916521.db2.gz JMAWCADCQUJRAH-HXUWFJFHSA-N 1 0 342.508 3.371 20 10 EGCDRO NC(=O)Cc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1 ZINC000810157585 1317965192 /nfs/dbraw/zinc/96/51/92/1317965192.db2.gz ATWDNKFBPWSGIG-UHFFFAOYSA-N 1 0 346.430 3.377 20 10 EGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000811931528 1318291709 /nfs/dbraw/zinc/29/17/09/1318291709.db2.gz LTSXBCOGSUEJNM-HNNXBMFYSA-N 1 0 347.503 3.191 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000812834259 1318467452 /nfs/dbraw/zinc/46/74/52/1318467452.db2.gz BFAKPFNUKMDTAZ-GOSISDBHSA-N 1 0 347.503 3.488 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000813792321 1318633455 /nfs/dbraw/zinc/63/34/55/1318633455.db2.gz WCZRZQWNLNIOSY-OAHLLOKOSA-N 1 0 330.403 3.299 20 10 EGCDRO CCCN(CC[NH+]1CCCCCC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000813855749 1318644217 /nfs/dbraw/zinc/64/42/17/1318644217.db2.gz SSDZRGFWMQDBGV-NTMALXAHSA-N 1 0 346.471 3.226 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(Cl)ccc1O ZINC000858537902 1328791745 /nfs/dbraw/zinc/79/17/45/1328791745.db2.gz SELXGMMDLZUJTB-IXBGWNDUSA-N 1 0 334.803 3.327 20 10 EGCDRO Cc1cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1N(C)C ZINC000815074159 1318883731 /nfs/dbraw/zinc/88/37/31/1318883731.db2.gz KKJKYGNFVGQGEM-UHFFFAOYSA-N 1 0 340.393 3.445 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)ccc1N(C)C ZINC000815121278 1318899004 /nfs/dbraw/zinc/89/90/04/1318899004.db2.gz YZHOLXDNABKGTH-GOSISDBHSA-N 1 0 345.487 3.304 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000815143690 1318908922 /nfs/dbraw/zinc/90/89/22/1318908922.db2.gz CJMYBKNRBYQPLQ-GOSISDBHSA-N 1 0 336.863 3.166 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@]3(O)CCCC3(C)C)CC2)cc1 ZINC000815147439 1318911216 /nfs/dbraw/zinc/91/12/16/1318911216.db2.gz ALDLFCMUNTWGQC-HXUWFJFHSA-N 1 0 332.488 3.195 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000858562033 1328795632 /nfs/dbraw/zinc/79/56/32/1328795632.db2.gz AQSNZHABENHVKI-CYBMUJFWSA-N 1 0 347.846 3.128 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815562880 1319016453 /nfs/dbraw/zinc/01/64/53/1319016453.db2.gz OKCVLFLZFXWFFF-INIZCTEOSA-N 1 0 326.440 3.398 20 10 EGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1COCCO1 ZINC000815561405 1319016688 /nfs/dbraw/zinc/01/66/88/1319016688.db2.gz GGVMIMHISVBEIJ-HKUYNNGSSA-N 1 0 327.424 3.071 20 10 EGCDRO COC(=O)N1CC([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815597456 1319024226 /nfs/dbraw/zinc/02/42/26/1319024226.db2.gz WJKBDFHCYSAIQF-GOSISDBHSA-N 1 0 340.423 3.106 20 10 EGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1nnnn1C1CC1 ZINC000815595316 1319024363 /nfs/dbraw/zinc/02/43/63/1319024363.db2.gz NZVMBISOEOYHKJ-SFHVURJKSA-N 1 0 349.438 3.177 20 10 EGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000815633829 1319033600 /nfs/dbraw/zinc/03/36/00/1319033600.db2.gz XKBKHZWGACPXDJ-CABCVRRESA-N 1 0 332.488 3.474 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](O)COCc2ccccc2)c1 ZINC000858595881 1328805536 /nfs/dbraw/zinc/80/55/36/1328805536.db2.gz ZAKBFDFTGULLRV-NVXWUHKLSA-N 1 0 345.439 3.019 20 10 EGCDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816487399 1319164817 /nfs/dbraw/zinc/16/48/17/1319164817.db2.gz LZYYISWTQFNVGY-MRXNPFEDSA-N 1 0 328.412 3.256 20 10 EGCDRO O=C1NCCN(Cc2ccc3ccccc3c2O)[C@@H]1c1cccs1 ZINC000816515164 1319170627 /nfs/dbraw/zinc/17/06/27/1319170627.db2.gz RCHWXVDHTQNJLE-QGZVFWFLSA-N 1 0 338.432 3.280 20 10 EGCDRO O=C1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CN1c1ccccc1 ZINC000816543977 1319178336 /nfs/dbraw/zinc/17/83/36/1319178336.db2.gz UMMCKEKPZQZKGJ-KRWDZBQOSA-N 1 0 332.403 3.441 20 10 EGCDRO CSC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC[NH+](C)CC1 ZINC000816614597 1319195545 /nfs/dbraw/zinc/19/55/45/1319195545.db2.gz AFAUYJCDJIXLTR-UHFFFAOYSA-N 1 0 332.872 3.102 20 10 EGCDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1c(F)cccc1F ZINC000816651364 1319201437 /nfs/dbraw/zinc/20/14/37/1319201437.db2.gz DQHRUJQWNSWRAR-UHFFFAOYSA-N 1 0 345.437 3.349 20 10 EGCDRO CO[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000816651798 1319201673 /nfs/dbraw/zinc/20/16/73/1319201673.db2.gz QCDVAYDLOWBUJW-HXUWFJFHSA-N 1 0 327.424 3.486 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccc(Cl)cc3)C1)OCO2 ZINC000816659670 1319203642 /nfs/dbraw/zinc/20/36/42/1319203642.db2.gz WNMGWYVPKTUHAX-HNNXBMFYSA-N 1 0 347.798 3.428 20 10 EGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCCC1 ZINC000817574215 1319399074 /nfs/dbraw/zinc/39/90/74/1319399074.db2.gz MHIPGHIBRZIIGC-QGZVFWFLSA-N 1 0 346.515 3.333 20 10 EGCDRO COC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000817939281 1319465924 /nfs/dbraw/zinc/46/59/24/1319465924.db2.gz AYKCILYNDBYFCA-RBUKOAKNSA-N 1 0 347.890 3.383 20 10 EGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(-c2ccccc2)c1 ZINC000817938641 1319466795 /nfs/dbraw/zinc/46/67/95/1319466795.db2.gz OTFHQGMKORQCOI-KKSFZXQISA-N 1 0 349.482 3.289 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938587 1319466896 /nfs/dbraw/zinc/46/68/96/1319466896.db2.gz NPQRMZISORFZEM-WOJBJXKFSA-N 1 0 339.483 3.428 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938836 1319467113 /nfs/dbraw/zinc/46/71/13/1319467113.db2.gz UIIFZQGTGGQXOF-MGPUTAFESA-N 1 0 326.488 3.169 20 10 EGCDRO Cc1c([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940780 1319468132 /nfs/dbraw/zinc/46/81/32/1319468132.db2.gz HSQJJYZOLPSFDT-KUHUBIRLSA-N 1 0 343.519 3.363 20 10 EGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1nc2c(s1)CCCC2 ZINC000817939515 1319468414 /nfs/dbraw/zinc/46/84/14/1319468414.db2.gz BZQDZBGWKLFSIG-CZUORRHYSA-N 1 0 344.528 3.439 20 10 EGCDRO CCc1nc(C)c([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817942742 1319470836 /nfs/dbraw/zinc/47/08/36/1319470836.db2.gz QSMLQSSXPRAOKL-LRDDRELGSA-N 1 0 332.517 3.431 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817945374 1319471726 /nfs/dbraw/zinc/47/17/26/1319471726.db2.gz AMELVFGPIZEWGY-ZJUUUORDSA-N 1 0 347.684 3.458 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)NC[C@H]2CCCC[NH2+]2)c1O ZINC000817949658 1319473159 /nfs/dbraw/zinc/47/31/59/1319473159.db2.gz LNMMHJVWBGYLSK-DGCLKSJQSA-N 1 0 327.266 3.256 20 10 EGCDRO Cc1c([C@H](C)[NH2+]CCc2ccc(N)cc2)nnn1-c1ccc(C)cc1 ZINC000817956404 1319476874 /nfs/dbraw/zinc/47/68/74/1319476874.db2.gz YIEDRHPVCPVOMI-HNNXBMFYSA-N 1 0 335.455 3.360 20 10 EGCDRO CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817962382 1319478037 /nfs/dbraw/zinc/47/80/37/1319478037.db2.gz IYDULDZULBHKNO-GJZGRUSLSA-N 1 0 339.911 3.345 20 10 EGCDRO COCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC[NH2+]CC1 ZINC000817973881 1319483000 /nfs/dbraw/zinc/48/30/00/1319483000.db2.gz GYDSIHNLSOPSHN-GFCCVEGCSA-N 1 0 346.393 3.078 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@H](C(C)C)C3)C2)cc1 ZINC000818220241 1319521747 /nfs/dbraw/zinc/52/17/47/1319521747.db2.gz GTBZSSRKZMJOOT-HLIPFELVSA-N 1 0 332.488 3.315 20 10 EGCDRO COCc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000818220640 1319521893 /nfs/dbraw/zinc/52/18/93/1319521893.db2.gz IAMCIDLXUUNRBG-IBGZPJMESA-N 1 0 340.467 3.458 20 10 EGCDRO O=C(CCCc1ccccc1)NCC[NH2+]Cc1cc(Cl)ccc1O ZINC000818224317 1319522286 /nfs/dbraw/zinc/52/22/86/1319522286.db2.gz CMVWQTXLGNOOAM-UHFFFAOYSA-N 1 0 346.858 3.274 20 10 EGCDRO COC(=O)CC1CC([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000818331907 1319528861 /nfs/dbraw/zinc/52/88/61/1319528861.db2.gz JGKVOQCJTSCLRX-UHFFFAOYSA-N 1 0 330.472 3.354 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000818342702 1319530471 /nfs/dbraw/zinc/53/04/71/1319530471.db2.gz USIQAJOSXVZQAX-FXAWDEMLSA-N 1 0 344.499 3.460 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000818615046 1319570223 /nfs/dbraw/zinc/57/02/23/1319570223.db2.gz KZXWQGFZHMVWBL-BZHVJNSISA-N 1 0 331.229 3.214 20 10 EGCDRO Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818984893 1319605803 /nfs/dbraw/zinc/60/58/03/1319605803.db2.gz JCSXUDWJFZLWFD-UHFFFAOYSA-N 1 0 347.409 3.458 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000819078451 1319628709 /nfs/dbraw/zinc/62/87/09/1319628709.db2.gz VQMABEHAMIHKNC-KRWDZBQOSA-N 1 0 348.874 3.244 20 10 EGCDRO Cc1cc(C(=O)CN2CCC[N@@H+](C)CC2)c(C)n1-c1ccc(C)cc1 ZINC000916645234 1319690957 /nfs/dbraw/zinc/69/09/57/1319690957.db2.gz YPBZXXLSONYYRW-UHFFFAOYSA-N 1 0 339.483 3.223 20 10 EGCDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(O)cc1C ZINC000819901503 1319797117 /nfs/dbraw/zinc/79/71/17/1319797117.db2.gz BSBCZUYFXCMQHT-IBGZPJMESA-N 1 0 331.456 3.490 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cc(C)co3)C2)cc1C ZINC000962208033 1319860124 /nfs/dbraw/zinc/86/01/24/1319860124.db2.gz KASKQKNRXLJRNL-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000823045208 1320149267 /nfs/dbraw/zinc/14/92/67/1320149267.db2.gz TYIQEDUISNEOTI-QGZVFWFLSA-N 1 0 333.476 3.188 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(C4CC4)nn3C)CC2)cc1 ZINC000823757595 1320203523 /nfs/dbraw/zinc/20/35/23/1320203523.db2.gz MTCTUVKMYWMKHA-UHFFFAOYSA-N 1 0 340.471 3.065 20 10 EGCDRO CCC[N@H+](CC(N)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824426850 1320256628 /nfs/dbraw/zinc/25/66/28/1320256628.db2.gz DOEGBQTUONAYIR-UHFFFAOYSA-N 1 0 331.485 3.082 20 10 EGCDRO CCC[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000824544043 1320263833 /nfs/dbraw/zinc/26/38/33/1320263833.db2.gz SMCREDMTZDJXGM-GFCCVEGCSA-N 1 0 332.238 3.068 20 10 EGCDRO CCC[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC ZINC000824542917 1320264198 /nfs/dbraw/zinc/26/41/98/1320264198.db2.gz DKLCBAXZNZWDRM-INIZCTEOSA-N 1 0 335.448 3.490 20 10 EGCDRO Oc1cc(Br)ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000824855672 1320291949 /nfs/dbraw/zinc/29/19/49/1320291949.db2.gz OGRABCQRZIGRLJ-ZDUSSCGKSA-N 1 0 339.277 3.072 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000825016719 1320304323 /nfs/dbraw/zinc/30/43/23/1320304323.db2.gz GXHCEHGEADZBMW-KDOFPFPSSA-N 1 0 326.444 3.156 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c1O ZINC000825117456 1320312001 /nfs/dbraw/zinc/31/20/01/1320312001.db2.gz DLLLLTDSQFWTFH-ZACQAIPSSA-N 1 0 329.444 3.184 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1 ZINC000825118101 1320312179 /nfs/dbraw/zinc/31/21/79/1320312179.db2.gz OPLNYHBAOOGLIK-GUDVDZBRSA-N 1 0 342.487 3.236 20 10 EGCDRO CCOCCC1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825369955 1320332505 /nfs/dbraw/zinc/33/25/05/1320332505.db2.gz HAHMPRVADMYQBD-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cncc(Br)c2C)c(O)c1 ZINC000825753651 1320360340 /nfs/dbraw/zinc/36/03/40/1320360340.db2.gz SYUNIHMNTUYJER-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1Cl ZINC000825773615 1320362204 /nfs/dbraw/zinc/36/22/04/1320362204.db2.gz LUKZNQDOLDJPMI-GOSISDBHSA-N 1 0 333.815 3.114 20 10 EGCDRO O=C1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@H]2N1 ZINC000827140153 1320429754 /nfs/dbraw/zinc/42/97/54/1320429754.db2.gz IJZAATKSLBWYNJ-PKOBYXMFSA-N 1 0 336.435 3.160 20 10 EGCDRO Fc1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839146801 1320880330 /nfs/dbraw/zinc/88/03/30/1320880330.db2.gz VTDJQLIBFGIVPN-UHFFFAOYSA-N 1 0 336.357 3.230 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c(O)c1 ZINC000840795864 1321150087 /nfs/dbraw/zinc/15/00/87/1321150087.db2.gz BXXKURFMDIEYEO-RDJZCZTQSA-N 1 0 349.471 3.075 20 10 EGCDRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000840874926 1321166526 /nfs/dbraw/zinc/16/65/26/1321166526.db2.gz BBOVAFGKXGGYTR-CYBMUJFWSA-N 1 0 339.501 3.135 20 10 EGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840892771 1321172113 /nfs/dbraw/zinc/17/21/13/1321172113.db2.gz CXFUTLNFQUBJFT-IRXDYDNUSA-N 1 0 333.520 3.229 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000840909918 1321175767 /nfs/dbraw/zinc/17/57/67/1321175767.db2.gz NAPCERPMMTZSLQ-GOSISDBHSA-N 1 0 349.482 3.483 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000840949077 1321183784 /nfs/dbraw/zinc/18/37/84/1321183784.db2.gz NIPIPCLTIWJOGY-PIIMJCKOSA-N 1 0 345.487 3.016 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000840948356 1321183966 /nfs/dbraw/zinc/18/39/66/1321183966.db2.gz UBBVHTMMIPSKQS-NRFANRHFSA-N 1 0 339.483 3.240 20 10 EGCDRO COc1cc(O)c(CNc2ccc(C[NH+](C)C)cc2F)cc1OC ZINC000840958704 1321186774 /nfs/dbraw/zinc/18/67/74/1321186774.db2.gz TWAOUJGKAXDSON-UHFFFAOYSA-N 1 0 334.391 3.222 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1 ZINC000840964226 1321188063 /nfs/dbraw/zinc/18/80/63/1321188063.db2.gz UUNHLTNBQLZTQC-UHFFFAOYSA-N 1 0 331.456 3.068 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840963130 1321188489 /nfs/dbraw/zinc/18/84/89/1321188489.db2.gz YVRJBHIAHKKABV-MRXNPFEDSA-N 1 0 344.411 3.001 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000840966177 1321188960 /nfs/dbraw/zinc/18/89/60/1321188960.db2.gz DAFGHEHKKVRAON-VQIMIIECSA-N 1 0 349.475 3.470 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000840976667 1321192370 /nfs/dbraw/zinc/19/23/70/1321192370.db2.gz PSKBSRJBCQROIA-AWEZNQCLSA-N 1 0 342.439 3.216 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(Cl)cc3c2OCC3)cc1 ZINC000841045768 1321209009 /nfs/dbraw/zinc/20/90/09/1321209009.db2.gz POHHNZLAWDUYOO-SFHVURJKSA-N 1 0 345.874 3.131 20 10 EGCDRO C[C@@]1(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000841056619 1321210981 /nfs/dbraw/zinc/21/09/81/1321210981.db2.gz HEAKNUJQJUBJHE-LJQANCHMSA-N 1 0 346.475 3.064 20 10 EGCDRO CSc1ccc([C@H](CNC(=O)Nc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000841299421 1321249440 /nfs/dbraw/zinc/24/94/40/1321249440.db2.gz KKNKQPKXSUSKBW-KRWDZBQOSA-N 1 0 344.484 3.415 20 10 EGCDRO Nc1ccc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000841301459 1321249593 /nfs/dbraw/zinc/24/95/93/1321249593.db2.gz QELREVZXNBXMIK-UHFFFAOYSA-N 1 0 330.476 3.435 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1O ZINC000841743148 1321304989 /nfs/dbraw/zinc/30/49/89/1321304989.db2.gz CYZMKBJIMWYSNA-ZDUSSCGKSA-N 1 0 347.846 3.128 20 10 EGCDRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(Cl)cc1O ZINC000841752834 1321306530 /nfs/dbraw/zinc/30/65/30/1321306530.db2.gz CLQZTYQRQUUIAZ-VIFPVBQESA-N 1 0 344.640 3.355 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Br)ccc1O ZINC000841766038 1321309466 /nfs/dbraw/zinc/30/94/66/1321309466.db2.gz YDULUDNQOOFYSF-GXSJLCMTSA-N 1 0 349.219 3.145 20 10 EGCDRO CCn1nncc1C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000841859515 1321324368 /nfs/dbraw/zinc/32/43/68/1321324368.db2.gz LQVJIRIKOSKXMY-UHFFFAOYSA-N 1 0 327.476 3.357 20 10 EGCDRO CCCC[C@@H](C[NH3+])NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841958757 1321332101 /nfs/dbraw/zinc/33/21/01/1321332101.db2.gz SGBQQYZCQHFPPC-SFHVURJKSA-N 1 0 346.519 3.336 20 10 EGCDRO C[C@@H](CCC[NH3+])NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000841999647 1321334335 /nfs/dbraw/zinc/33/43/35/1321334335.db2.gz NIERPWICTWFNCU-HNNXBMFYSA-N 1 0 333.476 3.364 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842013164 1321335063 /nfs/dbraw/zinc/33/50/63/1321335063.db2.gz FWEOEEFFQGZREO-BPQIPLTHSA-N 1 0 345.487 3.092 20 10 EGCDRO C[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[NH2+]1 ZINC000842473603 1321393472 /nfs/dbraw/zinc/39/34/72/1321393472.db2.gz OBNPXZGRVSDEBY-OAHLLOKOSA-N 1 0 337.427 3.334 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1C ZINC000842635332 1321410535 /nfs/dbraw/zinc/41/05/35/1321410535.db2.gz MDQMCQPJBUYKEA-GOSISDBHSA-N 1 0 338.451 3.147 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](CC)C(=O)NCc2cccs2)c(O)c1 ZINC000842749609 1321427605 /nfs/dbraw/zinc/42/76/05/1321427605.db2.gz DKZVZYBOMJAKPF-MRXNPFEDSA-N 1 0 348.468 3.037 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc2c(cc1O)CCCC2 ZINC000842884747 1321444091 /nfs/dbraw/zinc/44/40/91/1321444091.db2.gz JZFZCLLWBLDGDC-SUMWQHHRSA-N 1 0 330.472 3.321 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843054049 1321462876 /nfs/dbraw/zinc/46/28/76/1321462876.db2.gz BSIGZERKNSTLDV-MOPGFXCFSA-N 1 0 338.451 3.298 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccnn1-c1ccc(F)cc1 ZINC000843058583 1321464249 /nfs/dbraw/zinc/46/42/49/1321464249.db2.gz VSKYJNDAHQFVFM-UHFFFAOYSA-N 1 0 336.414 3.423 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc1F ZINC000843120261 1321473561 /nfs/dbraw/zinc/47/35/61/1321473561.db2.gz BXHLMKSUWXKWSX-HXUWFJFHSA-N 1 0 342.462 3.213 20 10 EGCDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000843428939 1321517170 /nfs/dbraw/zinc/51/71/70/1321517170.db2.gz PBZBLIVTBVESRA-HNNXBMFYSA-N 1 0 344.842 3.184 20 10 EGCDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000843428941 1321517502 /nfs/dbraw/zinc/51/75/02/1321517502.db2.gz PBZBLIVTBVESRA-OAHLLOKOSA-N 1 0 344.842 3.184 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccccc2F)c1O ZINC000843430462 1321517774 /nfs/dbraw/zinc/51/77/74/1321517774.db2.gz VYIDBWDTQFGOSS-OAHLLOKOSA-N 1 0 339.794 3.407 20 10 EGCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000843475271 1321521734 /nfs/dbraw/zinc/52/17/34/1321521734.db2.gz JHENKKWILXEDHS-RDJZCZTQSA-N 1 0 347.409 3.005 20 10 EGCDRO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843484659 1321522450 /nfs/dbraw/zinc/52/24/50/1321522450.db2.gz KVYQGXCNCFKYGU-CVEARBPZSA-N 1 0 326.440 3.338 20 10 EGCDRO Cc1nn(C)c(C[NH2+]Cc2cc(Cl)ccc2O)c1Br ZINC000846056270 1321765206 /nfs/dbraw/zinc/76/52/06/1321765206.db2.gz SFJIEOPAZSUTRB-UHFFFAOYSA-N 1 0 344.640 3.140 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)N(C)C)c1 ZINC000846137187 1321770180 /nfs/dbraw/zinc/77/01/80/1321770180.db2.gz KVBUEAOCEPHMFY-KSSFIOAISA-N 1 0 344.455 3.363 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846139678 1321770848 /nfs/dbraw/zinc/77/08/48/1321770848.db2.gz RAXZMOKVUBAHDF-AWEZNQCLSA-N 1 0 331.412 3.277 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c1O ZINC000846143032 1321771300 /nfs/dbraw/zinc/77/13/00/1321771300.db2.gz CNISIDBDSXIATQ-CYBMUJFWSA-N 1 0 328.412 3.253 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000846143791 1321771383 /nfs/dbraw/zinc/77/13/83/1321771383.db2.gz HJHRATHSDVOGGN-WDEREUQCSA-N 1 0 327.384 3.395 20 10 EGCDRO COc1cc(NCC[NH2+][C@@H](C)c2cccc(OC)c2O)cc(OC)c1 ZINC000846157993 1321772727 /nfs/dbraw/zinc/77/27/27/1321772727.db2.gz RDATXMBWHAJJCQ-ZDUSSCGKSA-N 1 0 346.427 3.181 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000846174729 1321774687 /nfs/dbraw/zinc/77/46/87/1321774687.db2.gz YTRXJLAOVKHHPR-GUYCJALGSA-N 1 0 332.419 3.493 20 10 EGCDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000846215836 1321776963 /nfs/dbraw/zinc/77/69/63/1321776963.db2.gz TXVJGKRJCWHEHX-FXAWDEMLSA-N 1 0 332.488 3.259 20 10 EGCDRO C[C@@H]([NH2+]CC1(Br)CC1)c1ccc(N2CCOCC2)cc1 ZINC000846843780 1321815694 /nfs/dbraw/zinc/81/56/94/1321815694.db2.gz CFSLOMIRIZSOFA-CYBMUJFWSA-N 1 0 339.277 3.101 20 10 EGCDRO CCc1cccc(CNc2ccccc2N2CC[NH+](C)CC2)c1O ZINC000848892056 1322032243 /nfs/dbraw/zinc/03/22/43/1322032243.db2.gz JNPMFFGUAJDIFM-UHFFFAOYSA-N 1 0 325.456 3.319 20 10 EGCDRO CCc1cccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1O ZINC000848913093 1322043334 /nfs/dbraw/zinc/04/33/34/1322043334.db2.gz OAJRPTMTFMVWBH-IBGZPJMESA-N 1 0 326.440 3.133 20 10 EGCDRO COC(=O)/C=C\c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000848910862 1322043701 /nfs/dbraw/zinc/04/37/01/1322043701.db2.gz AHIMXAKZSZLLPC-ZVTBTPLYSA-N 1 0 331.368 3.031 20 10 EGCDRO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(CC)c1O ZINC000848917657 1322045911 /nfs/dbraw/zinc/04/59/11/1322045911.db2.gz JELFGEHEDBHRDJ-LJQANCHMSA-N 1 0 338.451 3.018 20 10 EGCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1CCCCC1 ZINC000920278478 1322158116 /nfs/dbraw/zinc/15/81/16/1322158116.db2.gz NKNKQUDAXQEGBR-HXUWFJFHSA-N 1 0 343.515 3.414 20 10 EGCDRO COc1cc(C[NH2+]Cc2c(C)nn(C)c2C)c(O)c(C(C)(C)C)c1 ZINC000850103457 1322191924 /nfs/dbraw/zinc/19/19/24/1322191924.db2.gz NYJPJEWJCHYEPP-UHFFFAOYSA-N 1 0 331.460 3.338 20 10 EGCDRO COc1cc(C[NH2+]CCC(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850120824 1322195158 /nfs/dbraw/zinc/19/51/58/1322195158.db2.gz FFJZEQAHUJTHKQ-UHFFFAOYSA-N 1 0 336.476 3.093 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccccc1O ZINC000850516288 1322259807 /nfs/dbraw/zinc/25/98/07/1322259807.db2.gz UMQPCUVCPVFELF-KDOFPFPSSA-N 1 0 340.423 3.247 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cn(CC)nn1)c1ccc(C(F)(F)F)cc1O ZINC000850522501 1322260880 /nfs/dbraw/zinc/26/08/80/1322260880.db2.gz SBEWKRRDGCNPSA-CYBMUJFWSA-N 1 0 328.338 3.263 20 10 EGCDRO C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000850557715 1322267072 /nfs/dbraw/zinc/26/70/72/1322267072.db2.gz RZOGXGWXDVKEKD-HNAYVOBHSA-N 1 0 344.499 3.175 20 10 EGCDRO CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(N(C)C)cc1 ZINC000850562814 1322268226 /nfs/dbraw/zinc/26/82/26/1322268226.db2.gz PGJKPIOZURLMHO-ICSRJNTNSA-N 1 0 334.504 3.361 20 10 EGCDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566352 1322269314 /nfs/dbraw/zinc/26/93/14/1322269314.db2.gz MVPTUCGCMNASQF-HNNXBMFYSA-N 1 0 330.497 3.430 20 10 EGCDRO Cc1cc(C[NH2+]Cc2cnc3n2CCOC3)c(C)n1-c1ccccc1 ZINC000922293230 1322494209 /nfs/dbraw/zinc/49/42/09/1322494209.db2.gz JBCRRYJUPOPVGU-UHFFFAOYSA-N 1 0 336.439 3.111 20 10 EGCDRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000859614604 1329035612 /nfs/dbraw/zinc/03/56/12/1329035612.db2.gz IDUGSXDYUSAPPJ-QGZVFWFLSA-N 1 0 339.399 3.212 20 10 EGCDRO COc1cc(N2CC[NH+](CCCC3CCC3)CC2)cc(OC)c1OC ZINC000851936471 1323118167 /nfs/dbraw/zinc/11/81/67/1323118167.db2.gz NVUPQBSVOONKRB-UHFFFAOYSA-N 1 0 348.487 3.415 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C2(C)CC2)cc1C ZINC001024969739 1323803960 /nfs/dbraw/zinc/80/39/60/1323803960.db2.gz DWVHDGLJHLMODN-QGZVFWFLSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3C=CCC3)C2)cc1C ZINC001026674200 1324966702 /nfs/dbraw/zinc/96/67/02/1324966702.db2.gz PXGOIGDJRGUULW-MJGOQNOKSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C)C3CCC3)C2)cc1C ZINC001026912191 1325074256 /nfs/dbraw/zinc/07/42/56/1325074256.db2.gz NGNUMYGGSAOPNI-AEFFLSMTSA-N 1 0 344.499 3.378 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000853542414 1325118877 /nfs/dbraw/zinc/11/88/77/1325118877.db2.gz ZVVPFZLQVYIINA-MRXNPFEDSA-N 1 0 346.471 3.279 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1OC ZINC000853572217 1325126221 /nfs/dbraw/zinc/12/62/21/1325126221.db2.gz QNCVZRURFMCACS-PBHICJAKSA-N 1 0 335.444 3.191 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC34CCC4)C2)cc1C ZINC001027094025 1325219514 /nfs/dbraw/zinc/21/95/14/1325219514.db2.gz HTRIQCMTLDZHCE-MSOLQXFVSA-N 1 0 342.483 3.132 20 10 EGCDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000926873035 1327749727 /nfs/dbraw/zinc/74/97/27/1327749727.db2.gz JTDGGVUXIWPYJM-IBGZPJMESA-N 1 0 343.515 3.303 20 10 EGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCO[C@@H]1CCOC1 ZINC000927081289 1327850842 /nfs/dbraw/zinc/85/08/42/1327850842.db2.gz OBYFXUNCVIXSGI-UYAOXDASSA-N 1 0 341.451 3.461 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1Cl ZINC000862527527 1329492259 /nfs/dbraw/zinc/49/22/59/1329492259.db2.gz PZUUCHDZCCDKFL-PBHICJAKSA-N 1 0 334.803 3.074 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000862547644 1329495697 /nfs/dbraw/zinc/49/56/97/1329495697.db2.gz LFYCGHLPBIDTHQ-OAQYLSRUSA-N 1 0 342.483 3.118 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2)CC1 ZINC000863867855 1329586629 /nfs/dbraw/zinc/58/66/29/1329586629.db2.gz MVKVIEWACRZAGK-UHFFFAOYSA-N 1 0 329.488 3.023 20 10 EGCDRO CC(C)(C)[NH2+]CCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000934700334 1330000781 /nfs/dbraw/zinc/00/07/81/1330000781.db2.gz UOCJLUJQIBWJLU-UHFFFAOYSA-N 1 0 330.428 3.292 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000866376835 1330103668 /nfs/dbraw/zinc/10/36/68/1330103668.db2.gz CMZNTQJNOBFNQR-KNTRFNDTSA-N 1 0 342.483 3.069 20 10 EGCDRO C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1ccccc1O ZINC000868103054 1330249442 /nfs/dbraw/zinc/24/94/42/1330249442.db2.gz RCEIMGGUOICLBN-MRXNPFEDSA-N 1 0 333.476 3.265 20 10 EGCDRO C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1O ZINC000868232367 1330263520 /nfs/dbraw/zinc/26/35/20/1330263520.db2.gz ICVCBBKKKWDUHL-JKSUJKDBSA-N 1 0 341.455 3.273 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)=C3CCC3)C2)cc1C ZINC000968621399 1335987129 /nfs/dbraw/zinc/98/71/29/1335987129.db2.gz FWVGIQYKAVJKJI-GOSISDBHSA-N 1 0 328.456 3.195 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC(C)(C)C3)C2)cc1C ZINC001018801234 1339729251 /nfs/dbraw/zinc/72/92/51/1339729251.db2.gz AMJUANBHKOIYMP-KRWDZBQOSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@]3(C)CC=CCC3)C2)cc1C ZINC001018906462 1339749107 /nfs/dbraw/zinc/74/91/07/1339749107.db2.gz QJGMWBXFGMNPRP-RXVVDRJESA-N 1 0 342.483 3.441 20 10 EGCDRO CCCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034548645 1342611542 /nfs/dbraw/zinc/61/15/42/1342611542.db2.gz QTJIIKNODPFKGS-INIZCTEOSA-N 1 0 345.447 3.233 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C=C2CCC2)cc1C ZINC001036982192 1343909734 /nfs/dbraw/zinc/90/97/34/1343909734.db2.gz JFYPYVQJFYPTDT-OALUTQOASA-N 1 0 342.483 3.488 20 10 EGCDRO CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001044876564 1346452598 /nfs/dbraw/zinc/45/25/98/1346452598.db2.gz GJCHOMCURLQOIE-CJNGLKHVSA-N 1 0 345.447 3.088 20 10 EGCDRO CCC(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001054411860 1349353718 /nfs/dbraw/zinc/35/37/18/1349353718.db2.gz NMMITLBGLNYNKW-CRAIPNDOSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3CC(C)(C)C3)C2)cc1C ZINC001086077234 1358989024 /nfs/dbraw/zinc/98/90/24/1358989024.db2.gz OSHMNPGZGGCHKV-MAEOIBBWSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[C@@H](C)C3)C2)cc1C ZINC001086216453 1359029922 /nfs/dbraw/zinc/02/99/22/1359029922.db2.gz SNMWTORQCNDEDT-AXUOBQJMSA-N 1 0 344.499 3.424 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086483552 1359114491 /nfs/dbraw/zinc/11/44/91/1359114491.db2.gz IXINKSXMNGBGQN-BRSBDYLESA-N 1 0 330.472 3.034 20 10 EGCDRO O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001323566093 1387391063 /nfs/dbraw/zinc/39/10/63/1387391063.db2.gz FSZYXPNQTSJBMP-CLFYSBASSA-N 1 0 338.407 3.346 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC001324873914 1387799049 /nfs/dbraw/zinc/79/90/49/1387799049.db2.gz QINLXGLFQUMEHQ-DOMZBBRYSA-N 1 0 325.412 3.392 20 10 EGCDRO Cc1ccc(OC(=O)NC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001194481209 1368271608 /nfs/dbraw/zinc/27/16/08/1368271608.db2.gz JJGNSFAVXMOUFB-UHFFFAOYSA-N 1 0 340.423 3.454 20 10 EGCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 ZINC001325695736 1388031809 /nfs/dbraw/zinc/03/18/09/1388031809.db2.gz KVVBSNCCJIBOPN-GOSISDBHSA-N 1 0 328.431 3.292 20 10 EGCDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4ccccc4O)CC[N@@H+]3C2)cc1 ZINC001203556767 1370168452 /nfs/dbraw/zinc/16/84/52/1370168452.db2.gz WLEQVRAOURHLFW-QUCCMNQESA-N 1 0 338.451 3.038 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001203635787 1370195788 /nfs/dbraw/zinc/19/57/88/1370195788.db2.gz GPYFYIRIZGYOIN-ABAIWWIYSA-N 1 0 326.234 3.156 20 10 EGCDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Br)ccc3O)C[C@@H]21 ZINC001203643262 1370199753 /nfs/dbraw/zinc/19/97/53/1370199753.db2.gz MVSNPXMLVZNKNN-DIOULYMOSA-N 1 0 340.261 3.402 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001203655776 1370204049 /nfs/dbraw/zinc/20/40/49/1370204049.db2.gz CWDYPBYNHKVGRM-ZIAGYGMSSA-N 1 0 349.887 3.066 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)CCc2ccc(OC)c(OC)c2)c1 ZINC001203669887 1370210263 /nfs/dbraw/zinc/21/02/63/1370210263.db2.gz GUFZAOIJKUQDNW-UHFFFAOYSA-N 1 0 331.412 3.093 20 10 EGCDRO COc1ccc(O)c(C[N@@H+](Cc2ccccc2)CC(OC)OC)c1 ZINC001203669958 1370210392 /nfs/dbraw/zinc/21/03/92/1370210392.db2.gz IVJZMHHFNIIHIN-UHFFFAOYSA-N 1 0 331.412 3.022 20 10 EGCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)n1 ZINC001203680349 1370216316 /nfs/dbraw/zinc/21/63/16/1370216316.db2.gz QOBUPMPGYNKDIJ-CYBMUJFWSA-N 1 0 331.416 3.116 20 10 EGCDRO COc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(OC)c1 ZINC001203788407 1370264702 /nfs/dbraw/zinc/26/47/02/1370264702.db2.gz LDYSNISIBDUMNN-UHFFFAOYSA-N 1 0 330.403 3.165 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1OC(C)=O ZINC001203834258 1370283385 /nfs/dbraw/zinc/28/33/85/1370283385.db2.gz CRNQHFXQPNNOAA-UHFFFAOYSA-N 1 0 342.439 3.319 20 10 EGCDRO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(O)c(O)c1 ZINC001203882874 1370298516 /nfs/dbraw/zinc/29/85/16/1370298516.db2.gz VQCREBDCIADLMM-ZQIUZPCESA-N 1 0 333.428 3.040 20 10 EGCDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203881887 1370298618 /nfs/dbraw/zinc/29/86/18/1370298618.db2.gz WUFWCLJDOQPJDK-UHFFFAOYSA-N 1 0 344.430 3.333 20 10 EGCDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)c1 ZINC001203884093 1370299069 /nfs/dbraw/zinc/29/90/69/1370299069.db2.gz ROCYBQVEZRWBGA-INIZCTEOSA-N 1 0 327.380 3.222 20 10 EGCDRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930738 1370318776 /nfs/dbraw/zinc/31/87/76/1370318776.db2.gz GXBQQSORCQAXLQ-OAQYLSRUSA-N 1 0 345.531 3.075 20 10 EGCDRO CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001203931109 1370318875 /nfs/dbraw/zinc/31/88/75/1370318875.db2.gz NBDQWKXOXGDFLR-HDICACEKSA-N 1 0 345.487 3.336 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001203936231 1370322537 /nfs/dbraw/zinc/32/25/37/1370322537.db2.gz FHOLWEGGTVQVCW-IRLDBZIGSA-N 1 0 335.495 3.459 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1 ZINC001203940700 1370323273 /nfs/dbraw/zinc/32/32/73/1370323273.db2.gz VVXXACXQKHXIRA-ZBFHGGJFSA-N 1 0 330.394 3.135 20 10 EGCDRO Oc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c(O)c1 ZINC001204273558 1370427790 /nfs/dbraw/zinc/42/77/90/1370427790.db2.gz RFCNMGVZNRCECC-UZLBHIALSA-N 1 0 340.423 3.174 20 10 EGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328282 1370445565 /nfs/dbraw/zinc/44/55/65/1370445565.db2.gz GAVJYLBZXCQDJZ-GOSISDBHSA-N 1 0 330.472 3.452 20 10 EGCDRO COc1cc(C[NH+]2CCC3(COc4ccccc43)CC2)cc(O)c1O ZINC001204348607 1370449624 /nfs/dbraw/zinc/44/96/24/1370449624.db2.gz FHWMREGYHLHFCV-UHFFFAOYSA-N 1 0 341.407 3.033 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206024087 1370941466 /nfs/dbraw/zinc/94/14/66/1370941466.db2.gz HPTIKJNDIDJNLH-CHWSQXEVSA-N 1 0 341.293 3.270 20 10 EGCDRO CCCC[N@H+](Cc1cc(C(=O)OCC)n[nH]1)Cc1ccccc1O ZINC001118267331 1371154408 /nfs/dbraw/zinc/15/44/08/1371154408.db2.gz AHQUQOCAQAMVPW-UHFFFAOYSA-N 1 0 331.416 3.094 20 10 EGCDRO COc1ccc(CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC001207572318 1371439114 /nfs/dbraw/zinc/43/91/14/1371439114.db2.gz RUMIXISWNYBDQJ-UHFFFAOYSA-N 1 0 340.467 3.459 20 10 EGCDRO COCC[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001209214073 1372040523 /nfs/dbraw/zinc/04/05/23/1372040523.db2.gz KBNPFIZYGVAGQN-UHFFFAOYSA-N 1 0 326.440 3.034 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CC3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC001209404506 1372095688 /nfs/dbraw/zinc/09/56/88/1372095688.db2.gz SXFMGQXGAMFQCO-IAGOWNOFSA-N 1 0 332.488 3.411 20 10 EGCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](C[C@@H]4C[C@H]4C)C3)C2)cc1 ZINC001209412579 1372098562 /nfs/dbraw/zinc/09/85/62/1372098562.db2.gz HJYZDGLFBCSJPW-LQWHRVPQSA-N 1 0 344.499 3.270 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CCN(CCC[NH+]2CCCCC2)C1 ZINC001209450347 1372109642 /nfs/dbraw/zinc/10/96/42/1372109642.db2.gz GZGARVUAPNVMCK-UHFFFAOYSA-N 1 0 341.499 3.421 20 10 EGCDRO CC/C(C)=C/C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214575671 1373082869 /nfs/dbraw/zinc/08/28/69/1373082869.db2.gz JKQXJWBTIRNVME-JDERRNKESA-N 1 0 330.472 3.296 20 10 EGCDRO CCc1cccc(CC(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001130406798 1373522149 /nfs/dbraw/zinc/52/21/49/1373522149.db2.gz FJRRRELDGZAQNC-UHFFFAOYSA-N 1 0 340.467 3.015 20 10 EGCDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001218025253 1373541098 /nfs/dbraw/zinc/54/10/98/1373541098.db2.gz RXUKHQQZKOQFKQ-GUYCJALGSA-N 1 0 341.407 3.096 20 10 EGCDRO Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC001219205308 1373694184 /nfs/dbraw/zinc/69/41/84/1373694184.db2.gz BJCODXFNHCEQKQ-YHAJNHALSA-N 1 0 338.411 3.238 20 10 EGCDRO C[C@@H](C[NH3+])C(=O)N(c1ccc(N)cc1)c1ccc2ccccc2c1N ZINC001219473615 1373711194 /nfs/dbraw/zinc/71/11/94/1373711194.db2.gz FXJDZQAJXBLAAQ-ZDUSSCGKSA-N 1 0 334.423 3.264 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1C ZINC001131618612 1373733126 /nfs/dbraw/zinc/73/31/26/1373733126.db2.gz TXMOTQFICNOMBV-NNZMDNLPSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(F)F)cc1C ZINC001133490990 1376038391 /nfs/dbraw/zinc/03/83/91/1376038391.db2.gz KZQYFMMFWGBREG-CHWSQXEVSA-N 1 0 328.403 3.032 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC(C)=O)cc1C ZINC001133665835 1376144639 /nfs/dbraw/zinc/14/46/39/1376144639.db2.gz AVQWGCFOWAJVSI-HOTGVXAUSA-N 1 0 348.487 3.136 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)c2cccs2)cc1C ZINC001133743313 1376187086 /nfs/dbraw/zinc/18/70/86/1376187086.db2.gz VLLYWBNGEHHEAK-CQSZACIVSA-N 1 0 332.469 3.075 20 10 EGCDRO COC[C@@H]1CCCC[N@@H+]1Cc1c(Br)ccc(OC)c1O ZINC001231550609 1376261279 /nfs/dbraw/zinc/26/12/79/1376261279.db2.gz NGEIWAJYZGUXIL-NSHDSACASA-N 1 0 344.249 3.164 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2=COCCC2)cc1C ZINC001133920008 1376264115 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Cc1ccc(O)c(C[N@@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)c1 ZINC001140624038 1378100432 /nfs/dbraw/zinc/10/04/32/1378100432.db2.gz DCNSOYWJUDOYOC-KRWDZBQOSA-N 1 0 337.423 3.323 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1O ZINC001140749575 1378129222 /nfs/dbraw/zinc/12/92/22/1378129222.db2.gz FNTQCPWQRQLDMR-HKUYNNGSSA-N 1 0 338.451 3.113 20 10 EGCDRO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140749480 1378129735 /nfs/dbraw/zinc/12/97/35/1378129735.db2.gz BMWAEZJUIQEMBW-INIZCTEOSA-N 1 0 347.455 3.352 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(N(CC)C(C)=O)CC2)c(O)c1 ZINC001140856808 1378159832 /nfs/dbraw/zinc/15/98/32/1378159832.db2.gz IXTYOPWUTXMHER-UHFFFAOYSA-N 1 0 347.503 3.071 20 10 EGCDRO CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140925017 1378182152 /nfs/dbraw/zinc/18/21/52/1378182152.db2.gz YERZQVNEOUGVAY-IBGZPJMESA-N 1 0 349.906 3.383 20 10 EGCDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(N(C)C)cc2Cl)C(C)C)C1 ZINC001140926227 1378183014 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CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140265 1378247702 /nfs/dbraw/zinc/24/77/02/1378247702.db2.gz JWKBHORRTMNCOZ-FQEVSTJZSA-N 1 0 346.471 3.071 20 10 EGCDRO CCOC(=O)c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001142603390 1378463338 /nfs/dbraw/zinc/46/33/38/1378463338.db2.gz KOUVEWKIUCXGKX-UHFFFAOYSA-N 1 0 341.407 3.223 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)c(OC)n1 ZINC001327532295 1388553076 /nfs/dbraw/zinc/55/30/76/1388553076.db2.gz JTCZAAPXYUVSOB-OCCSQVGLSA-N 1 0 328.412 3.451 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCN(Cc3cccnc3)CC2)c1O ZINC001143104481 1378540766 /nfs/dbraw/zinc/54/07/66/1378540766.db2.gz TUYYPDSNXXRTGN-UHFFFAOYSA-N 1 0 339.483 3.403 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)c2ccc(C)s2)cc1C ZINC001147761600 1379074386 /nfs/dbraw/zinc/07/43/86/1379074386.db2.gz FVHNTVYILFMLHF-HNNXBMFYSA-N 1 0 346.496 3.383 20 10 EGCDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2O)C1 ZINC001327881404 1388613891 /nfs/dbraw/zinc/61/38/91/1388613891.db2.gz QLIHVOHYNYPNCM-CQSZACIVSA-N 1 0 327.266 3.069 20 10 EGCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CCC2CCCCC2)cc1 ZINC001153047429 1380013641 /nfs/dbraw/zinc/01/36/41/1380013641.db2.gz DJVCKGXYUAFSRM-UHFFFAOYSA-N 1 0 345.447 3.139 20 10 EGCDRO c1cc2nccc(N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)n2n1 ZINC001155630260 1380476071 /nfs/dbraw/zinc/47/60/71/1380476071.db2.gz NAXCFNDXSFFXCI-XKGFGPFHSA-N 1 0 349.482 3.129 20 10 EGCDRO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001157434617 1380893036 /nfs/dbraw/zinc/89/30/36/1380893036.db2.gz PEZYWFKELACSER-YJBOKZPZSA-N 1 0 332.488 3.383 20 10 EGCDRO COc1ccc(C[NH2+]CCN(CCc2ccccc2)C(C)=O)cc1C ZINC001162651303 1382821308 /nfs/dbraw/zinc/82/13/08/1382821308.db2.gz LRWMLJMCBZLGRP-UHFFFAOYSA-N 1 0 340.467 3.184 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)c3cc[nH]c3)CC2)cc1C ZINC001164612552 1383208696 /nfs/dbraw/zinc/20/86/96/1383208696.db2.gz RVWFBSMNXZNZKX-UHFFFAOYSA-N 1 0 341.455 3.022 20 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/nfs/dbraw/zinc/16/36/63/1384163663.db2.gz WPNFWTWADPLTBG-DNVCBOLYSA-N 1 0 330.472 3.233 20 10 EGCDRO Oc1ccc(CNc2cc(Br)cc3c[nH+]cn32)cc1O ZINC001169996930 1384213882 /nfs/dbraw/zinc/21/38/82/1384213882.db2.gz MZPNKNPUHCQZSL-UHFFFAOYSA-N 1 0 334.173 3.120 20 10 EGCDRO O=C(C[NH2+][C@@H]1CCc2c(Cl)cccc2C1)c1ccc(O)c(O)c1 ZINC001171023463 1384432036 /nfs/dbraw/zinc/43/20/36/1384432036.db2.gz XOUGBBDKTDJCBJ-CYBMUJFWSA-N 1 0 331.799 3.081 20 10 EGCDRO Oc1ccccc1CN1CCC([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785535 1384636359 /nfs/dbraw/zinc/63/63/59/1384636359.db2.gz OZXFVBBGFOEBGF-SFHVURJKSA-N 1 0 340.442 3.253 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1O ZINC001172995483 1384896208 /nfs/dbraw/zinc/89/62/08/1384896208.db2.gz NVUMSRXPOULSDV-CQSZACIVSA-N 1 0 342.414 3.487 20 10 EGCDRO Nc1ccc2c(c1Nc1ccc(C[NH3+])cc1)C(=O)c1ccccc1C2=O ZINC001175972075 1385449081 /nfs/dbraw/zinc/44/90/81/1385449081.db2.gz VFBGGCOYEVCJTJ-UHFFFAOYSA-N 1 0 343.386 3.247 20 10 EGCDRO C[NH+](C)CCn1cc(Nc2cccc3c2C(=O)c2ccccc2-3)cn1 ZINC001176448928 1385590765 /nfs/dbraw/zinc/59/07/65/1385590765.db2.gz FOWXMOWJLOEQSW-UHFFFAOYSA-N 1 0 332.407 3.400 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3nc(C)sc3C)CC2)cc1 ZINC001319414560 1386110633 /nfs/dbraw/zinc/11/06/33/1386110633.db2.gz CGKYQAOZVAXUNS-UHFFFAOYSA-N 1 0 331.485 3.481 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1cc(Cl)ccc1O ZINC001320878880 1386745911 /nfs/dbraw/zinc/74/59/11/1386745911.db2.gz CXQLIFWYTJYRLP-OCCSQVGLSA-N 1 0 327.852 3.121 20 10 EGCDRO CC[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc(C)cc1O ZINC001321236378 1386851937 /nfs/dbraw/zinc/85/19/37/1386851937.db2.gz RMRGDVOPFBNSLI-MRXNPFEDSA-N 1 0 340.423 3.167 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C12CC[NH+](CC1)CC2 ZINC001181556035 1387016059 /nfs/dbraw/zinc/01/60/59/1387016059.db2.gz WEPVPMDHLOQQFQ-GOSISDBHSA-N 1 0 342.483 3.235 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](O)c1cccc(F)c1 ZINC001331273041 1389680162 /nfs/dbraw/zinc/68/01/62/1389680162.db2.gz UGOSTYNSRFZDST-ZMZPIMSZSA-N 1 0 338.373 3.382 20 10 EGCDRO C[C@@H](NC(=O)c1ccc([C@@H]2CCCC[NH2+]2)n1C)c1ccccc1O ZINC001342404277 1390609596 /nfs/dbraw/zinc/60/95/96/1390609596.db2.gz FYRDTUCBFYQPJY-HIFRSBDPSA-N 1 0 327.428 3.036 20 10 EGCDRO C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)NC(=O)OC(C)(C)C ZINC001334903990 1390617249 /nfs/dbraw/zinc/61/72/49/1390617249.db2.gz XQZQCGDMAZUYGL-NSHDSACASA-N 1 0 343.418 3.034 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCc1cn2c(n1)SCC2 ZINC001343416112 1390712559 /nfs/dbraw/zinc/71/25/59/1390712559.db2.gz XTUBAONYONECCU-TZMCWYRMSA-N 1 0 329.469 3.383 20 10 EGCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC001347669059 1391108997 /nfs/dbraw/zinc/10/89/97/1391108997.db2.gz QHKXBXLYVXAIGE-NBHGPNQESA-N 1 0 341.451 3.196 20 10 EGCDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1c(O)cccc1Br ZINC001348267299 1391195628 /nfs/dbraw/zinc/19/56/28/1391195628.db2.gz BVVSCEGHFTYFLU-GFCCVEGCSA-N 1 0 330.266 3.289 20 10 EGCDRO COCn1ncc(C)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001351961330 1391725301 /nfs/dbraw/zinc/72/53/01/1391725301.db2.gz PBRWNIBGIQMPFC-UHFFFAOYSA-N 1 0 329.444 3.446 20 10 EGCDRO Nc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001352790117 1391849710 /nfs/dbraw/zinc/84/97/10/1391849710.db2.gz OTVGTPPHRLCDBC-IBGZPJMESA-N 1 0 338.455 3.445 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2CC3(CC3)C2)cc1C ZINC001753013503 1440267699 /nfs/dbraw/zinc/26/76/99/1440267699.db2.gz MQNJAOXCSPRSBA-OAHLLOKOSA-N 1 0 330.472 3.178 20 10 EGCDRO CC[C@H](CNC(=O)C1(C)CC=CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753488250 1440418444 /nfs/dbraw/zinc/41/84/44/1440418444.db2.gz CSBFTMCSRSZTTN-QGZVFWFLSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C[C@](C)(NC(=O)C=C(C)C)C2CC2)cc1C ZINC001753512708 1440426554 /nfs/dbraw/zinc/42/65/54/1440426554.db2.gz BAKWYAGMDBNFBR-FQEVSTJZSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC23CC3)cc1C ZINC001754139147 1440544024 /nfs/dbraw/zinc/54/40/24/1440544024.db2.gz WYPGVDUETLQQEU-OAJJDEHYSA-N 1 0 342.483 3.346 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2c(C)coc2C)cc1C ZINC001754264640 1440560582 /nfs/dbraw/zinc/56/05/82/1440560582.db2.gz DNCQEDVSMDMAJA-AWEZNQCLSA-N 1 0 330.428 3.122 20 10 EGCDRO CCCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755288171 1440802584 /nfs/dbraw/zinc/80/25/84/1440802584.db2.gz RGPQUILWKASNJJ-UHFFFAOYSA-N 1 0 347.463 3.337 20 10 EGCDRO CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001755667583 1440893734 /nfs/dbraw/zinc/89/37/34/1440893734.db2.gz WWEAVNKUUHWXLO-XJKSGUPXSA-N 1 0 345.447 3.232 20 10 EGCDRO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000850139420 1126112653 /nfs/dbraw/zinc/11/26/53/1126112653.db2.gz OOKVXHSFRJMUAF-QGZVFWFLSA-N 1 0 343.467 3.392 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)c1cccc(Br)c1 ZINC000264595463 455244596 /nfs/dbraw/zinc/24/45/96/455244596.db2.gz HYBXFGGMTQAQOH-INIZCTEOSA-N 1 0 336.229 3.320 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000264741225 455274257 /nfs/dbraw/zinc/27/42/57/455274257.db2.gz UATRPMUFHKBMBB-ICSRJNTNSA-N 1 0 345.414 3.246 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1 ZINC000075756459 453924274 /nfs/dbraw/zinc/92/42/74/453924274.db2.gz UACPVXWLJSOSMU-UHFFFAOYSA-N 1 0 349.482 3.462 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(N(C)C)cc1 ZINC000130227938 454182514 /nfs/dbraw/zinc/18/25/14/454182514.db2.gz KLPVBMQCZDUNAO-HNNXBMFYSA-N 1 0 341.455 3.301 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000089725998 454183945 /nfs/dbraw/zinc/18/39/45/454183945.db2.gz BFUUANHUSWCRIB-CYBMUJFWSA-N 1 0 349.452 3.045 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000131579227 454266618 /nfs/dbraw/zinc/26/66/18/454266618.db2.gz LLLOLCKKNUFKCL-HNNXBMFYSA-N 1 0 346.496 3.148 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c(F)c1 ZINC000078681640 454298885 /nfs/dbraw/zinc/29/88/85/454298885.db2.gz RHBRMKPMEHYDSD-UHFFFAOYSA-N 1 0 332.394 3.433 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000122457028 454535343 /nfs/dbraw/zinc/53/53/43/454535343.db2.gz IFNDGVHDXKFRHI-JCQPUDPBSA-N 1 0 334.460 3.480 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H](c2cccc(OC)c2)N(C)C)c1O ZINC000074314400 454561165 /nfs/dbraw/zinc/56/11/65/454561165.db2.gz WVOXGSFCKNXWLT-GOSISDBHSA-N 1 0 344.455 3.192 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1C(C)C ZINC000050900629 454601690 /nfs/dbraw/zinc/60/16/90/454601690.db2.gz OTRCGAJHPXJTBE-HNNXBMFYSA-N 1 0 330.472 3.315 20 10 EGCDRO C[C@H]([C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O)S(C)(=O)=O ZINC000093420543 454714850 /nfs/dbraw/zinc/71/48/50/454714850.db2.gz PWJPEJVRQIEQEL-LSDHHAIUSA-N 1 0 347.480 3.313 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176598613 454762519 /nfs/dbraw/zinc/76/25/19/454762519.db2.gz OOWGEAMVZNDIMZ-PKOBYXMFSA-N 1 0 346.519 3.157 20 10 EGCDRO C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000109770536 454835087 /nfs/dbraw/zinc/83/50/87/454835087.db2.gz IVVCFTFSAMBUHG-CYBMUJFWSA-N 1 0 332.831 3.355 20 10 EGCDRO CC(C)c1nnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000109761646 454835268 /nfs/dbraw/zinc/83/52/68/454835268.db2.gz RCBCBUNHNVSICB-OAHLLOKOSA-N 1 0 331.416 3.080 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000111233005 454859193 /nfs/dbraw/zinc/85/91/93/454859193.db2.gz KPSRRIBWILTMJS-ICSRJNTNSA-N 1 0 327.424 3.107 20 10 EGCDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)C2CC2)cc1 ZINC000154270318 454880166 /nfs/dbraw/zinc/88/01/66/454880166.db2.gz WAWVKOSJHIUGEG-UHFFFAOYSA-N 1 0 342.351 3.194 20 10 EGCDRO Cc1noc(C)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359204 454924265 /nfs/dbraw/zinc/92/42/65/454924265.db2.gz SBAICHUMVXFSED-MRXNPFEDSA-N 1 0 349.862 3.405 20 10 EGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000154990647 454951452 /nfs/dbraw/zinc/95/14/52/454951452.db2.gz NUVDNNYADVXNRJ-KBXCAEBGSA-N 1 0 338.467 3.374 20 10 EGCDRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000151210229 454953585 /nfs/dbraw/zinc/95/35/85/454953585.db2.gz XLPSIBQLAUNBED-SFHVURJKSA-N 1 0 331.504 3.050 20 10 EGCDRO C[C@H]([NH2+]CCc1nccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000127993742 455016613 /nfs/dbraw/zinc/01/66/13/455016613.db2.gz DSMLPAVPSZFZIW-ZDUSSCGKSA-N 1 0 335.448 3.012 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000171128642 455033475 /nfs/dbraw/zinc/03/34/75/455033475.db2.gz CJKRVKAESAJVID-OAHLLOKOSA-N 1 0 341.411 3.282 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000179611344 455061649 /nfs/dbraw/zinc/06/16/49/455061649.db2.gz ZNWRFWZKDBAQNJ-UHFFFAOYSA-N 1 0 340.423 3.252 20 10 EGCDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)nc1 ZINC000179730051 455071753 /nfs/dbraw/zinc/07/17/53/455071753.db2.gz LDHNACLLWVSHKV-KRWDZBQOSA-N 1 0 339.439 3.255 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H](C)Cn2ccnc2C)ccc1OC ZINC000171764716 455093098 /nfs/dbraw/zinc/09/30/98/455093098.db2.gz OEHSCPSNTIFRCT-HNNXBMFYSA-N 1 0 331.460 3.163 20 10 EGCDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](CC)c3ccccc3O)C2)ncn1 ZINC000156548241 455130738 /nfs/dbraw/zinc/13/07/38/455130738.db2.gz JBOWGAJYUAYZDR-AEFFLSMTSA-N 1 0 340.471 3.454 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)cc1F ZINC000180325178 455158099 /nfs/dbraw/zinc/15/80/99/455158099.db2.gz ZLXWNFAYECJEBT-UHFFFAOYSA-N 1 0 349.494 3.362 20 10 EGCDRO Cn1cc(C[N@H+](C)Cc2ccc(OCc3ccccc3)cc2O)cn1 ZINC000182958960 455199099 /nfs/dbraw/zinc/19/90/99/455199099.db2.gz HFOHZXILQKBMIG-UHFFFAOYSA-N 1 0 337.423 3.337 20 10 EGCDRO C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccccc1O ZINC000183434076 455292525 /nfs/dbraw/zinc/29/25/25/455292525.db2.gz ZXIWJLJQTBCIAR-HNNXBMFYSA-N 1 0 333.453 3.048 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1O ZINC000183442375 455293697 /nfs/dbraw/zinc/29/36/97/455293697.db2.gz VIWDCOOQTBAHLU-AWEZNQCLSA-N 1 0 344.430 3.343 20 10 EGCDRO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183518358 455302476 /nfs/dbraw/zinc/30/24/76/455302476.db2.gz LTJUFHMUGOUQOL-UKRRQHHQSA-N 1 0 326.481 3.455 20 10 EGCDRO COc1cc(N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000183701311 455322382 /nfs/dbraw/zinc/32/23/82/455322382.db2.gz OBBLPKIIIZYMAR-UHFFFAOYSA-N 1 0 342.439 3.035 20 10 EGCDRO COc1cc(O)c(CN2CCO[C@@H](c3ccccc3F)C2)cc1OC ZINC000160116282 455429929 /nfs/dbraw/zinc/42/99/29/455429929.db2.gz WKZMRJCYRJIMJV-LJQANCHMSA-N 1 0 347.386 3.122 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000184858496 455462013 /nfs/dbraw/zinc/46/20/13/455462013.db2.gz JDUPOWCPTUHTRI-MRXNPFEDSA-N 1 0 348.487 3.087 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000184919135 455472354 /nfs/dbraw/zinc/47/23/54/455472354.db2.gz WJOPDPOAIWBJPH-YLJYHZDGSA-N 1 0 340.467 3.425 20 10 EGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000191485190 455489942 /nfs/dbraw/zinc/48/99/42/455489942.db2.gz IPFWCPWXSFMQQC-UHFFFAOYSA-N 1 0 347.434 3.405 20 10 EGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000185122750 455506484 /nfs/dbraw/zinc/50/64/84/455506484.db2.gz JKQYXPODRZXPSF-KBPBESRZSA-N 1 0 348.468 3.021 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185195936 455519971 /nfs/dbraw/zinc/51/99/71/455519971.db2.gz AEQSLEBABOFCKH-INIZCTEOSA-N 1 0 326.440 3.400 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000185261898 455530880 /nfs/dbraw/zinc/53/08/80/455530880.db2.gz SBHUTQSDSCRFDE-ZDUSSCGKSA-N 1 0 328.412 3.435 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(Br)ccc1O ZINC000185531098 455573694 /nfs/dbraw/zinc/57/36/94/455573694.db2.gz LOFPERHWOCTTNL-WDMOLILDSA-N 1 0 328.250 3.356 20 10 EGCDRO CCOc1cccc(CN(C)CC(=O)Nc2cccc(C)c2C)c1O ZINC000161532557 455578505 /nfs/dbraw/zinc/57/85/05/455578505.db2.gz BFGSAYHQJVITGP-UHFFFAOYSA-N 1 0 342.439 3.478 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c(O)c1 ZINC000185650113 455589765 /nfs/dbraw/zinc/58/97/65/455589765.db2.gz VGXFZGQXODXYOR-AWEZNQCLSA-N 1 0 333.453 3.096 20 10 EGCDRO C[C@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000192603037 455650760 /nfs/dbraw/zinc/65/07/60/455650760.db2.gz UQRAOVYLOJWEQB-VBQJREDUSA-N 1 0 340.414 3.271 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1 ZINC000186013545 455674695 /nfs/dbraw/zinc/67/46/95/455674695.db2.gz FBVUMOSWQSRPTM-ZDUSSCGKSA-N 1 0 346.402 3.011 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c(O)c1 ZINC000284403895 455680673 /nfs/dbraw/zinc/68/06/73/455680673.db2.gz BAWFQSYCBPUCEZ-PKOBYXMFSA-N 1 0 328.412 3.196 20 10 EGCDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000268790796 455714347 /nfs/dbraw/zinc/71/43/47/455714347.db2.gz XVDJLPWSAMJVOJ-CQSZACIVSA-N 1 0 331.485 3.181 20 10 EGCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000268847745 455716095 /nfs/dbraw/zinc/71/60/95/455716095.db2.gz BRILQHUQGXIFNO-PKOBYXMFSA-N 1 0 331.504 3.048 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1Oc1ccccc1 ZINC000186275907 455730604 /nfs/dbraw/zinc/73/06/04/455730604.db2.gz YXAAUUOPCRTQFR-RLLQIKCJSA-N 1 0 343.423 3.115 20 10 EGCDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000268947379 455740064 /nfs/dbraw/zinc/74/00/64/455740064.db2.gz WYQXTNSZWWWHTD-MRXNPFEDSA-N 1 0 338.517 3.152 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1OC ZINC000271790245 455760879 /nfs/dbraw/zinc/76/08/79/455760879.db2.gz IWPYACYOBIOJPH-UHFFFAOYSA-N 1 0 343.423 3.495 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000271841924 455783450 /nfs/dbraw/zinc/78/34/50/455783450.db2.gz QKZJUVZRFGPSED-GOEBONIOSA-N 1 0 334.460 3.436 20 10 EGCDRO CCc1nocc1C[N@H+](C)Cc1cc(Br)ccc1O ZINC000293511128 455789221 /nfs/dbraw/zinc/78/92/21/455789221.db2.gz AEWWYOSCGUXRJC-UHFFFAOYSA-N 1 0 325.206 3.337 20 10 EGCDRO COCC[C@@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293600911 455792450 /nfs/dbraw/zinc/79/24/50/455792450.db2.gz GAUMSKWCUIIYAI-TZIWHRDSSA-N 1 0 343.467 3.443 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271944533 455801104 /nfs/dbraw/zinc/80/11/04/455801104.db2.gz WJTOJJPXUXESHN-DOXZYTNZSA-N 1 0 336.451 3.271 20 10 EGCDRO Cc1ccc(O)c(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000269160930 455801246 /nfs/dbraw/zinc/80/12/46/455801246.db2.gz URCKSIQMPNDJDD-UHFFFAOYSA-N 1 0 340.471 3.238 20 10 EGCDRO COC[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)OC ZINC000294360309 455812385 /nfs/dbraw/zinc/81/23/85/455812385.db2.gz QJBHEDAQDJFSPX-HKUYNNGSSA-N 1 0 329.440 3.317 20 10 EGCDRO CCC[C@@](C)([NH3+])C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000269241865 455818999 /nfs/dbraw/zinc/81/89/99/455818999.db2.gz NTBJOBQYCJMMCA-OAHLLOKOSA-N 1 0 343.265 3.021 20 10 EGCDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000285365406 455831540 /nfs/dbraw/zinc/83/15/40/455831540.db2.gz BTRDGTBAGMQDME-UHFFFAOYSA-N 1 0 331.391 3.360 20 10 EGCDRO COc1c(O)c(CNc2ccccc2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278460129 455836385 /nfs/dbraw/zinc/83/63/85/455836385.db2.gz ZROUGNAQOCZJNC-UHFFFAOYSA-N 1 0 345.399 3.025 20 10 EGCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295313434 455846277 /nfs/dbraw/zinc/84/62/77/455846277.db2.gz YNJJRRUIZPKYBA-LJQANCHMSA-N 1 0 348.512 3.262 20 10 EGCDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295583033 455853653 /nfs/dbraw/zinc/85/36/53/455853653.db2.gz SFBZFZXNQVCKIQ-AEFFLSMTSA-N 1 0 332.488 3.301 20 10 EGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1nncn1C ZINC000285479733 455855175 /nfs/dbraw/zinc/85/51/75/455855175.db2.gz LFQZKGPVJPYBKP-SFHVURJKSA-N 1 0 327.476 3.292 20 10 EGCDRO CCn1nccc1C1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000279058618 455857063 /nfs/dbraw/zinc/85/70/63/455857063.db2.gz LGGGDLXERKNGQJ-UHFFFAOYSA-N 1 0 345.418 3.330 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3C[C@@H](C)O)cc2)CC1 ZINC000295977493 455865751 /nfs/dbraw/zinc/86/57/51/455865751.db2.gz KXBPOTDIUWZVMH-YLJYHZDGSA-N 1 0 346.515 3.427 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](O)CC(C)(C)C3)cc2)CC1 ZINC000296082217 455868344 /nfs/dbraw/zinc/86/83/44/455868344.db2.gz PGLNGTPOKMJCJJ-IBGZPJMESA-N 1 0 346.515 3.285 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CC2 ZINC000296189334 455875804 /nfs/dbraw/zinc/87/58/04/455875804.db2.gz YLQJRVPOAAOJJZ-IBGZPJMESA-N 1 0 338.451 3.002 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)c1c(F)cccc1F ZINC000272251340 455892509 /nfs/dbraw/zinc/89/25/09/455892509.db2.gz CBKZQWLQXWICKH-RHSMWYFYSA-N 1 0 325.330 3.411 20 10 EGCDRO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCCN1C1CCCCC1 ZINC000296349123 455915624 /nfs/dbraw/zinc/91/56/24/455915624.db2.gz HIVOFBKOXKYUGH-IRXDYDNUSA-N 1 0 328.456 3.293 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000187514194 455919625 /nfs/dbraw/zinc/91/96/25/455919625.db2.gz VLZZYFGCGUFQPA-GOSISDBHSA-N 1 0 341.386 3.153 20 10 EGCDRO Cn1cc([C@@H]([NH2+]Cc2cc(F)ccc2O)c2ccc(F)cc2)cn1 ZINC000187527207 455920621 /nfs/dbraw/zinc/92/06/21/455920621.db2.gz ZSHLYSHNBJUHLK-SFHVURJKSA-N 1 0 329.350 3.283 20 10 EGCDRO COc1cc(C)nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000270355511 455937373 /nfs/dbraw/zinc/93/73/73/455937373.db2.gz WXEGTMPRRCYTPZ-GOSISDBHSA-N 1 0 342.439 3.285 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000187986510 455976487 /nfs/dbraw/zinc/97/64/87/455976487.db2.gz JGRZIENFMRXTER-WMZOPIPTSA-N 1 0 327.424 3.222 20 10 EGCDRO O=C(CCC[NH2+][C@H]1CCc2cccc(O)c21)N1CCc2ccccc21 ZINC000296675988 456007992 /nfs/dbraw/zinc/00/79/92/456007992.db2.gz GERJRGGKMTTWMM-KRWDZBQOSA-N 1 0 336.435 3.339 20 10 EGCDRO O=C(CCC[NH2+][C@@H]1CCc2cccc(O)c21)N1Cc2ccccc2C1 ZINC000296699032 456012362 /nfs/dbraw/zinc/01/23/62/456012362.db2.gz HPAOTVFGTYSJIM-GOSISDBHSA-N 1 0 336.435 3.292 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1O ZINC000287169113 456062835 /nfs/dbraw/zinc/06/28/35/456062835.db2.gz UNOZUDIKVWPLBG-UONOGXRCSA-N 1 0 333.453 3.021 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000287381934 456068507 /nfs/dbraw/zinc/06/85/07/456068507.db2.gz PNBVALBZIWMOIF-HZPDHXFCSA-N 1 0 342.439 3.362 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296989397 456085861 /nfs/dbraw/zinc/08/58/61/456085861.db2.gz SFUHWUYBCDDOEN-QGZVFWFLSA-N 1 0 326.396 3.007 20 10 EGCDRO COc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1O ZINC000288443698 456096566 /nfs/dbraw/zinc/09/65/66/456096566.db2.gz MFKIIMWBIIIEGA-QAPCUYQASA-N 1 0 326.440 3.153 20 10 EGCDRO CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271050141 456113120 /nfs/dbraw/zinc/11/31/20/456113120.db2.gz UZGNSLUHKCPJGW-UHFFFAOYSA-N 1 0 341.839 3.258 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1F ZINC000271125691 456133520 /nfs/dbraw/zinc/13/35/20/456133520.db2.gz KMNSFVZJMFUSIP-UHFFFAOYSA-N 1 0 347.478 3.116 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c(OC)n1 ZINC000289705149 456138646 /nfs/dbraw/zinc/13/86/46/456138646.db2.gz TYYVQTKAACWBJN-UHFFFAOYSA-N 1 0 343.210 3.401 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(O)c1 ZINC000289842872 456152576 /nfs/dbraw/zinc/15/25/76/456152576.db2.gz URFDHICOBAIFDZ-ZFWWWQNUSA-N 1 0 347.377 3.174 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000271180303 456157735 /nfs/dbraw/zinc/15/77/35/456157735.db2.gz CEVAOWVXPGGANW-UHFFFAOYSA-N 1 0 326.234 3.157 20 10 EGCDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000297257572 456164701 /nfs/dbraw/zinc/16/47/01/456164701.db2.gz JSRWIXGDEGWQFF-ZYHUDNBSSA-N 1 0 349.349 3.187 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000271210207 456175324 /nfs/dbraw/zinc/17/53/24/456175324.db2.gz LMMAONHFPOZDJG-INIZCTEOSA-N 1 0 326.444 3.393 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000271242124 456188583 /nfs/dbraw/zinc/18/85/83/456188583.db2.gz YXRFSEQLKOZRDV-OAHLLOKOSA-N 1 0 343.427 3.431 20 10 EGCDRO CC[C@]1(C[NH2+]Cc2cccc(OC)c2O)OCCc2ccccc21 ZINC000289996021 456210111 /nfs/dbraw/zinc/21/01/11/456210111.db2.gz XVUOZADJGXJCTH-HXUWFJFHSA-N 1 0 327.424 3.369 20 10 EGCDRO COc1cccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1O ZINC000271305790 456213457 /nfs/dbraw/zinc/21/34/57/456213457.db2.gz VPXJFKLFFBREAC-UHFFFAOYSA-N 1 0 335.444 3.391 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCO[C@@H](c3ccc(F)cc3)C1)OCO2 ZINC000273481051 456233241 /nfs/dbraw/zinc/23/32/41/456233241.db2.gz LGJJPHMWPWZWIH-DOTOQJQBSA-N 1 0 345.370 3.270 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273624097 456242192 /nfs/dbraw/zinc/24/21/92/456242192.db2.gz ZVGCAPMNSIIUPA-QWHCGFSZSA-N 1 0 340.423 3.332 20 10 EGCDRO COC(=O)CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C(C)C ZINC000297543485 456247149 /nfs/dbraw/zinc/24/71/49/456247149.db2.gz QFMCQDXPEIURDX-UHFFFAOYSA-N 1 0 348.487 3.075 20 10 EGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)CCO2 ZINC000274375975 456257647 /nfs/dbraw/zinc/25/76/47/456257647.db2.gz FEIONEZAESYXOZ-HNNXBMFYSA-N 1 0 345.395 3.031 20 10 EGCDRO CC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(N(C)C)cc1 ZINC000274404347 456257823 /nfs/dbraw/zinc/25/78/23/456257823.db2.gz QREIPFUDURADCP-QGZVFWFLSA-N 1 0 330.501 3.338 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cnn(C)c2)c1O ZINC000275320574 456273072 /nfs/dbraw/zinc/27/30/72/456273072.db2.gz KZFYXWDKTBRONR-NSHDSACASA-N 1 0 338.249 3.090 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 ZINC000290295900 456282546 /nfs/dbraw/zinc/28/25/46/456282546.db2.gz NFVQQKUJCPMNBE-NLWGTHIKSA-N 1 0 326.440 3.288 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1O ZINC000290413026 456320799 /nfs/dbraw/zinc/32/07/99/456320799.db2.gz KEASXTNTRFNUDI-INIZCTEOSA-N 1 0 337.423 3.415 20 10 EGCDRO C[N@H+](CC[C@H](O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000290484530 456340873 /nfs/dbraw/zinc/34/08/73/456340873.db2.gz XMXHEBBJDXLSET-NRFANRHFSA-N 1 0 340.467 3.079 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](C)CCCn2ccnc2)c1O ZINC000290501730 456345757 /nfs/dbraw/zinc/34/57/57/456345757.db2.gz PFIFXXKMOVGYHH-UHFFFAOYSA-N 1 0 338.249 3.182 20 10 EGCDRO O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276474796 456493604 /nfs/dbraw/zinc/49/36/04/456493604.db2.gz BTLWTLOMPLDFFQ-UHFFFAOYSA-N 1 0 335.451 3.227 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3ccccc3C)CC2)cc1 ZINC000305101668 456526034 /nfs/dbraw/zinc/52/60/34/456526034.db2.gz BLCWPHVNXRFALS-NRFANRHFSA-N 1 0 340.467 3.296 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000276971442 456637116 /nfs/dbraw/zinc/63/71/16/456637116.db2.gz FMRVUDGEVUOZQM-UHFFFAOYSA-N 1 0 339.844 3.047 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000291626360 456699267 /nfs/dbraw/zinc/69/92/67/456699267.db2.gz RYUYNCIDZZWKML-APWZRJJASA-N 1 0 347.842 3.310 20 10 EGCDRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000299482721 456706196 /nfs/dbraw/zinc/70/61/96/456706196.db2.gz HHBAOIKYSRWQIY-UHFFFAOYSA-N 1 0 341.455 3.233 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000373907302 457395248 /nfs/dbraw/zinc/39/52/48/457395248.db2.gz FZMIXPCIPWTPTJ-HNNXBMFYSA-N 1 0 343.383 3.350 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1O ZINC000370214900 457588194 /nfs/dbraw/zinc/58/81/94/457588194.db2.gz ISLKXKMCUWCRQX-CYBMUJFWSA-N 1 0 347.846 3.046 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000375039275 457767504 /nfs/dbraw/zinc/76/75/04/457767504.db2.gz MPKFCVXPMLTEEW-LJQANCHMSA-N 1 0 331.387 3.024 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000366266243 457802606 /nfs/dbraw/zinc/80/26/06/457802606.db2.gz LMVJDGWFJMBMMW-UHFFFAOYSA-N 1 0 340.423 3.183 20 10 EGCDRO Fc1cc(C[NH2+]C2CCC3(CCCO3)CC2)ccc1N1CCOCC1 ZINC000372694160 458319764 /nfs/dbraw/zinc/31/97/64/458319764.db2.gz PANOPCRNTIFUSB-UHFFFAOYSA-N 1 0 348.462 3.244 20 10 EGCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472231455 458775851 /nfs/dbraw/zinc/77/58/51/458775851.db2.gz GJFXODOOLWRPPG-MRXNPFEDSA-N 1 0 342.487 3.112 20 10 EGCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000573174617 459636186 /nfs/dbraw/zinc/63/61/86/459636186.db2.gz BYJFFQWJLCVEJU-OAHLLOKOSA-N 1 0 344.503 3.406 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](Cc2ccc(F)cc2)OC)c1 ZINC000528435729 459807027 /nfs/dbraw/zinc/80/70/27/459807027.db2.gz DGGCMPPXRDHJCX-GUYCJALGSA-N 1 0 333.403 3.448 20 10 EGCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000726237803 574546821 /nfs/dbraw/zinc/54/68/21/574546821.db2.gz MVWMLQZOSJLECS-MAUKXSAKSA-N 1 0 339.439 3.027 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729683585 574878991 /nfs/dbraw/zinc/87/89/91/574878991.db2.gz PESXBIGJRZHQII-WOJBJXKFSA-N 1 0 338.451 3.012 20 10 EGCDRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000732285092 575255102 /nfs/dbraw/zinc/25/51/02/575255102.db2.gz QTPSUIZUYNXMAQ-UHFFFAOYSA-N 1 0 348.468 3.104 20 10 EGCDRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(C)ccc1O ZINC000733322845 575327558 /nfs/dbraw/zinc/32/75/58/575327558.db2.gz UHTKEOIOWYLMIY-IBGZPJMESA-N 1 0 340.467 3.270 20 10 EGCDRO O=C1CCCN1Cc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733324728 575327778 /nfs/dbraw/zinc/32/77/78/575327778.db2.gz WPTLJYGZVJKDRK-UHFFFAOYSA-N 1 0 344.842 3.458 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)Oc1ccccc1 ZINC000734161061 575450085 /nfs/dbraw/zinc/45/00/85/575450085.db2.gz LTJAPUAFHGHOOT-UHFFFAOYSA-N 1 0 340.467 3.470 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000734844160 575559406 /nfs/dbraw/zinc/55/94/06/575559406.db2.gz WUIKZQRAANNNLK-DOTOQJQBSA-N 1 0 339.357 3.325 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 ZINC000741753790 576717095 /nfs/dbraw/zinc/71/70/95/576717095.db2.gz BPSOFHRYKXLVHW-SFHVURJKSA-N 1 0 331.504 3.127 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000744433231 576828122 /nfs/dbraw/zinc/82/81/22/576828122.db2.gz OPGWJZRUVHLENA-HNNXBMFYSA-N 1 0 327.472 3.473 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000820926345 606996545 /nfs/dbraw/zinc/99/65/45/606996545.db2.gz RJPNRLOYHKQBCQ-GOSISDBHSA-N 1 0 336.443 3.174 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000825878750 608496786 /nfs/dbraw/zinc/49/67/86/608496786.db2.gz DGKKHOFSTZAYQE-IBGZPJMESA-N 1 0 348.454 3.100 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](SC)C2)cc1Cn1cccn1 ZINC000873063343 1297256014 /nfs/dbraw/zinc/25/60/14/1297256014.db2.gz QLTJPFOPHJJYTK-IRXDYDNUSA-N 1 0 331.485 3.314 20 10 EGCDRO COc1cccc(CC[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000691429093 1298134226 /nfs/dbraw/zinc/13/42/26/1298134226.db2.gz ONBBVSZBZRXNCZ-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000691448362 1298134250 /nfs/dbraw/zinc/13/42/50/1298134250.db2.gz 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20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c2c1c(F)ccc2O ZINC000834900506 1293170271 /nfs/dbraw/zinc/17/02/71/1293170271.db2.gz UEVBKPMFXAYBJL-ALYFQZSWSA-N 1 0 345.418 3.323 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc(N(C)C)cc1 ZINC000834910221 1293174062 /nfs/dbraw/zinc/17/40/62/1293174062.db2.gz CMDXMWZZUHDSGS-NEWSRXKRSA-N 1 0 342.487 3.447 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccccc1Br)CC2 ZINC000834911966 1293175063 /nfs/dbraw/zinc/17/50/63/1293175063.db2.gz VEDOZIUJTLYBEC-ZBFHGGJFSA-N 1 0 348.240 3.465 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Cl)ccc1O ZINC000834914430 1293176190 /nfs/dbraw/zinc/17/61/90/1293176190.db2.gz USQHGHBSQXCICO-NORZTCDRSA-N 1 0 335.835 3.350 20 10 EGCDRO Cc1noc(C)c1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119333434 1293264991 /nfs/dbraw/zinc/26/49/91/1293264991.db2.gz ITXNZEURXAMUOY-KRWDZBQOSA-N 1 0 330.428 3.221 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121305379 1293364496 /nfs/dbraw/zinc/36/44/96/1293364496.db2.gz BGPALXXVMUKCIV-FHWLQOOXSA-N 1 0 344.524 3.287 20 10 EGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000122983324 1293430930 /nfs/dbraw/zinc/43/09/30/1293430930.db2.gz AFYZGNGBVXJOLB-AWEZNQCLSA-N 1 0 325.836 3.206 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000123798371 1293455833 /nfs/dbraw/zinc/45/58/33/1293455833.db2.gz QXLLWEFPOMFXFW-LLVKDONJSA-N 1 0 326.824 3.145 20 10 EGCDRO CCO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000124496174 1293477375 /nfs/dbraw/zinc/47/73/75/1293477375.db2.gz BQKMFNWEEIWGJP-CQSZACIVSA-N 1 0 328.250 3.464 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCN(C)c3ccccc3)CC2)cc1 ZINC000125883630 1293519558 /nfs/dbraw/zinc/51/95/58/1293519558.db2.gz YXOKCGRHABYQNW-UHFFFAOYSA-N 1 0 339.483 3.390 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3=CCCCC3)cc2F)CC1 ZINC000127991600 1293579591 /nfs/dbraw/zinc/57/95/91/1293579591.db2.gz XUQNHKOMMXXGLV-UHFFFAOYSA-N 1 0 345.462 3.084 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000129152085 1293615435 /nfs/dbraw/zinc/61/54/35/1293615435.db2.gz SFNAUALDAJAHET-DYVFJYSZSA-N 1 0 336.863 3.164 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000129783794 1293633913 /nfs/dbraw/zinc/63/39/13/1293633913.db2.gz JWNAWFGAMZRNQV-OXJNMPFZSA-N 1 0 332.488 3.115 20 10 EGCDRO CC[C@@]1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCC[NH2+]1 ZINC000134597105 1293777354 /nfs/dbraw/zinc/77/73/54/1293777354.db2.gz IJPWJWJXWGMNIC-FQEVSTJZSA-N 1 0 329.488 3.071 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@](C)(OC)C3(C)C)CC2)cc1 ZINC000155150646 1294086724 /nfs/dbraw/zinc/08/67/24/1294086724.db2.gz ZRXMXHCJRFNBDA-UYAOXDASSA-N 1 0 332.488 3.457 20 10 EGCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000155536344 1294103468 /nfs/dbraw/zinc/10/34/68/1294103468.db2.gz PXAONFQMKJFRSL-IBGZPJMESA-N 1 0 329.488 3.025 20 10 EGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)cc1 ZINC000159538376 1294239313 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CC(C)[NH2+]CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166470057 1294363137 /nfs/dbraw/zinc/36/31/37/1294363137.db2.gz KCUIDBWKFALKJJ-UHFFFAOYSA-N 1 0 331.504 3.460 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000171743979 1294416085 /nfs/dbraw/zinc/41/60/85/1294416085.db2.gz SQAVRHMRNKKFHL-ZDUSSCGKSA-N 1 0 349.475 3.024 20 10 EGCDRO CC[NH+](CC)[C@H]1CCN(Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173467805 1294463175 /nfs/dbraw/zinc/46/31/75/1294463175.db2.gz IZHROLRTDMMELC-INIZCTEOSA-N 1 0 328.456 3.470 20 10 EGCDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000178362810 1294729788 /nfs/dbraw/zinc/72/97/88/1294729788.db2.gz XOQRYZWFLHNHHC-UHFFFAOYSA-N 1 0 325.456 3.146 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccoc3)CC2)cc1 ZINC000178423326 1294732747 /nfs/dbraw/zinc/73/27/47/1294732747.db2.gz ATRCOSUSGWCYFU-KRWDZBQOSA-N 1 0 343.471 3.151 20 10 EGCDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178489190 1294737956 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COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCc3ccccc3C2)c1 ZINC000185173719 1295246256 /nfs/dbraw/zinc/24/62/56/1295246256.db2.gz GFFOEXNPEBEUTO-HOTGVXAUSA-N 1 0 340.467 3.498 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000185855790 1295290863 /nfs/dbraw/zinc/29/08/63/1295290863.db2.gz WHNVXNRXKQKNBQ-CHWSQXEVSA-N 1 0 346.377 3.435 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(Cn3cncn3)CC2)cc1C(C)C ZINC000186901414 1295356381 /nfs/dbraw/zinc/35/63/81/1295356381.db2.gz VGEMMNYUMKFPLS-UHFFFAOYSA-N 1 0 328.460 3.328 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000187571240 1295400930 /nfs/dbraw/zinc/40/09/30/1295400930.db2.gz ADCFYNQARBUBNF-UHFFFAOYSA-N 1 0 340.345 3.369 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000192679609 1295789115 /nfs/dbraw/zinc/78/91/15/1295789115.db2.gz CNEVIKVIHQPZEW-JTQLQIEISA-N 1 0 344.839 3.057 20 10 EGCDRO C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3[O-])CC[C@H]21 ZINC000228183418 1296151660 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CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305170337 1296990647 /nfs/dbraw/zinc/99/06/47/1296990647.db2.gz ZPVCRDWWIKREDK-KHYOSLBOSA-N 1 0 338.467 3.110 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Br)ccc1O ZINC000315761537 1297138543 /nfs/dbraw/zinc/13/85/43/1297138543.db2.gz CMAYCWNHFTYFHL-UKRRQHHQSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@H]1CC[NH2+][C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000326070020 1297231736 /nfs/dbraw/zinc/23/17/36/1297231736.db2.gz LXMQEZGKVCWMNL-LPHOPBHVSA-N 1 0 329.488 3.023 20 10 EGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1C ZINC000378911578 1297527511 /nfs/dbraw/zinc/52/75/11/1297527511.db2.gz SSDHVOZIWIWIBS-MRXNPFEDSA-N 1 0 334.460 3.397 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1C(=O)OC(C)(C)C ZINC000385498288 1297583041 /nfs/dbraw/zinc/58/30/41/1297583041.db2.gz YCRBBWDGUBYXHZ-PBHICJAKSA-N 1 0 346.471 3.499 20 10 EGCDRO CN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388880402 1297605847 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EGCDRO Cc1nc(C(C)C)ccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876505918 1298796631 /nfs/dbraw/zinc/79/66/31/1298796631.db2.gz CQEMROPRFCNWSI-GOSISDBHSA-N 1 0 340.471 3.009 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C/CCc2ccccc2)cc1 ZINC000876506642 1298797848 /nfs/dbraw/zinc/79/78/48/1298797848.db2.gz NABLBEGKHCEIGA-WUTDNEBXSA-N 1 0 337.467 3.058 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(O)c1 ZINC000876662853 1298905028 /nfs/dbraw/zinc/90/50/28/1298905028.db2.gz PAGJEBLTKMNEEA-QGZVFWFLSA-N 1 0 338.451 3.343 20 10 EGCDRO Cn1ccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000748098759 1298927595 /nfs/dbraw/zinc/92/75/95/1298927595.db2.gz MYFRQIMXAVPBBS-UHFFFAOYSA-N 1 0 328.416 3.213 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000876736218 1298947040 /nfs/dbraw/zinc/94/70/40/1298947040.db2.gz UKYMWVKWALOHDW-ZBFHGGJFSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)c(O)c1 ZINC000876892238 1299053013 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O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1c1cccc(Cl)c1 ZINC000749883964 1299292719 /nfs/dbraw/zinc/29/27/19/1299292719.db2.gz PJRBXKPSYQMRAP-KRWDZBQOSA-N 1 0 342.826 3.170 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000877498672 1299348659 /nfs/dbraw/zinc/34/86/59/1299348659.db2.gz HPJJCYGQZIAONB-UHFFFAOYSA-N 1 0 349.478 3.461 20 10 EGCDRO Cc1cccc(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877514167 1299358140 /nfs/dbraw/zinc/35/81/40/1299358140.db2.gz IFNBELBZSFUXJG-UHFFFAOYSA-N 1 0 339.483 3.074 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCCc4occc4C3)cc2)CC1 ZINC000877537098 1299377743 /nfs/dbraw/zinc/37/77/43/1299377743.db2.gz HQMDIEUBEIIAFB-UHFFFAOYSA-N 1 0 326.440 3.189 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000877589039 1299417082 /nfs/dbraw/zinc/41/70/82/1299417082.db2.gz FUQGEXOIGIYEJN-FQEVSTJZSA-N 1 0 339.391 3.011 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000877598000 1299422829 /nfs/dbraw/zinc/42/28/29/1299422829.db2.gz FWDDIDRLHMFYNF-HNNXBMFYSA-N 1 0 337.423 3.453 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)cc2)CC1 ZINC000877603361 1299425261 /nfs/dbraw/zinc/42/52/61/1299425261.db2.gz LHXYKOBFCMJOFJ-NQIIRXRSSA-N 1 0 344.499 3.039 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c(O)c1 ZINC000877605537 1299426446 /nfs/dbraw/zinc/42/64/46/1299426446.db2.gz UBAMEUANFIOKSX-CQSZACIVSA-N 1 0 325.412 3.081 20 10 EGCDRO OCCCCOc1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000877613031 1299431467 /nfs/dbraw/zinc/43/14/67/1299431467.db2.gz UFCQZRCFKCJCQB-UHFFFAOYSA-N 1 0 335.831 3.487 20 10 EGCDRO COc1cc(F)cc(OC)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000877612480 1299431957 /nfs/dbraw/zinc/43/19/57/1299431957.db2.gz JMQKRYJTZHKDAZ-UHFFFAOYSA-N 1 0 325.767 3.492 20 10 EGCDRO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000877631915 1299443000 /nfs/dbraw/zinc/44/30/00/1299443000.db2.gz OGIPJIISSWSZJF-NRFANRHFSA-N 1 0 338.451 3.130 20 10 EGCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000877756442 1299532453 /nfs/dbraw/zinc/53/24/53/1299532453.db2.gz IRBYLEMFAHFAIA-ZIAGYGMSSA-N 1 0 328.412 3.469 20 10 EGCDRO O=C1NCCC12CC[NH+](Cc1cc(-c3ccccc3)ccc1O)CC2 ZINC000877783291 1299555426 /nfs/dbraw/zinc/55/54/26/1299555426.db2.gz NOBXAICXNXBTQK-UHFFFAOYSA-N 1 0 336.435 3.161 20 10 EGCDRO C[C@@H]([NH2+]CCCOC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000878357932 1299941556 /nfs/dbraw/zinc/94/15/56/1299941556.db2.gz IWIYLEKCSZJRKS-CYBMUJFWSA-N 1 0 332.366 3.100 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCCc3ccncc3)CC2)cc1 ZINC000753914425 1300040197 /nfs/dbraw/zinc/04/01/97/1300040197.db2.gz FYHSCDPGGXASRB-UHFFFAOYSA-N 1 0 325.456 3.235 20 10 EGCDRO Cc1cc(C(=O)CN(C)[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000754657539 1300184076 /nfs/dbraw/zinc/18/40/76/1300184076.db2.gz RQMAGCSJCUSARS-GOSISDBHSA-N 1 0 326.440 3.306 20 10 EGCDRO COc1cc(C[NH+]2CCC(CNC(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000754724164 1300200971 /nfs/dbraw/zinc/20/09/71/1300200971.db2.gz ZKVPNELQZSCMON-UHFFFAOYSA-N 1 0 348.487 3.046 20 10 EGCDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)N1CCOCC1 ZINC000756402758 1300484046 /nfs/dbraw/zinc/48/40/46/1300484046.db2.gz YJACWNVHAKPLCJ-RDTXWAMCSA-N 1 0 338.467 3.319 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc2ccccc2c1O ZINC000756431555 1300489699 /nfs/dbraw/zinc/48/96/99/1300489699.db2.gz NEJOLSRJTDAGSC-CQSZACIVSA-N 1 0 345.406 3.372 20 10 EGCDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1cc(Br)ccc1O ZINC000756468750 1300498429 /nfs/dbraw/zinc/49/84/29/1300498429.db2.gz GBRZOJFVIVPSBE-MRVPVSSYSA-N 1 0 342.155 3.384 20 10 EGCDRO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc2ccccc2c1O ZINC000756489172 1300504578 /nfs/dbraw/zinc/50/45/78/1300504578.db2.gz GGAOYUSINNLIET-CQSZACIVSA-N 1 0 345.406 3.372 20 10 EGCDRO C[C@@H]([NH2+]CCOc1cccnc1)c1ccc(Br)cc1O ZINC000756571622 1300523887 /nfs/dbraw/zinc/52/38/87/1300523887.db2.gz HNILJNBTCFSGRH-LLVKDONJSA-N 1 0 337.217 3.279 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)c2c1c(F)ccc2O ZINC000756570840 1300524625 /nfs/dbraw/zinc/52/46/25/1300524625.db2.gz BNGKLXWKNIMSKG-UNEWFSDZSA-N 1 0 348.462 3.313 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c2c1c(F)ccc2O ZINC000756584531 1300527043 /nfs/dbraw/zinc/52/70/43/1300527043.db2.gz VAWJFJOPZLYBTI-CXTNEJHOSA-N 1 0 334.435 3.316 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756604703 1300530938 /nfs/dbraw/zinc/53/09/38/1300530938.db2.gz PDVAGMFUTAJQIV-HNNXBMFYSA-N 1 0 326.440 3.262 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(Br)ccc1O ZINC000756609969 1300532261 /nfs/dbraw/zinc/53/22/61/1300532261.db2.gz GRGBTDPVZHKHOR-GVXVVHGQSA-N 1 0 327.266 3.288 20 10 EGCDRO COc1ccccc1[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756713039 1300552131 /nfs/dbraw/zinc/55/21/31/1300552131.db2.gz SOAUMTHWPBICGN-DFBGVHRSSA-N 1 0 331.387 3.411 20 10 EGCDRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648591 1300647993 /nfs/dbraw/zinc/64/79/93/1300647993.db2.gz 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COc1ccc(C[NH2+]Cc2cccc(OC(C)C)c2)c(O)c1OC ZINC000892617380 1305472011 /nfs/dbraw/zinc/47/20/11/1305472011.db2.gz WHHRALVSELNPJU-UHFFFAOYSA-N 1 0 331.412 3.486 20 10 EGCDRO COc1ccc(C[NH2+]CCCN(C)c2ccccc2F)c(O)c1OC ZINC000892651553 1305489480 /nfs/dbraw/zinc/48/94/80/1305489480.db2.gz YVIJUKGNOVYCFA-UHFFFAOYSA-N 1 0 348.418 3.165 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)c(O)c1OC ZINC000892687047 1305509599 /nfs/dbraw/zinc/50/95/99/1305509599.db2.gz HZSYUVHCEUKPDY-WMZOPIPTSA-N 1 0 343.423 3.419 20 10 EGCDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000787424157 1305742786 /nfs/dbraw/zinc/74/27/86/1305742786.db2.gz PJYIJRNJEOWANP-FQEVSTJZSA-N 1 0 344.430 3.112 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@](C)(C(=O)OC)c2ccccc2)c(O)c1 ZINC000787430129 1305745267 /nfs/dbraw/zinc/74/52/67/1305745267.db2.gz ZVWJOPCTRFRFSQ-HXUWFJFHSA-N 1 0 343.423 3.011 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)c(O)c1OC ZINC000893305268 1305816802 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/nfs/dbraw/zinc/39/84/01/1310398401.db2.gz BTNXPYPHPRDGOG-UHFFFAOYSA-N 1 0 340.423 3.352 20 10 EGCDRO CC(C)c1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000799736992 1310608914 /nfs/dbraw/zinc/60/89/14/1310608914.db2.gz PWJYDJYKVLHYBQ-UHFFFAOYSA-N 1 0 340.471 3.069 20 10 EGCDRO CCCC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000799933407 1310640817 /nfs/dbraw/zinc/64/08/17/1310640817.db2.gz NGONOBYUVSGOPI-MRXNPFEDSA-N 1 0 349.494 3.410 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccncc2Cl)N(C)C)cc1 ZINC000898447220 1310739772 /nfs/dbraw/zinc/73/97/72/1310739772.db2.gz HKJZKCUSKKGTSW-SFHVURJKSA-N 1 0 332.879 3.194 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)c1 ZINC000800887045 1310827939 /nfs/dbraw/zinc/82/79/39/1310827939.db2.gz MGBVGPABGSFJQW-UHFFFAOYSA-N 1 0 329.425 3.153 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC000801574751 1310968547 /nfs/dbraw/zinc/96/85/47/1310968547.db2.gz XREANXMQXUTRCQ-HXUWFJFHSA-N 1 0 347.503 3.489 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000801597016 1310971016 /nfs/dbraw/zinc/97/10/16/1310971016.db2.gz XRCNJLKCPKOXJG-AWEZNQCLSA-N 1 0 349.475 3.007 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)c1O ZINC000824815029 1320287268 /nfs/dbraw/zinc/28/72/68/1320287268.db2.gz HOOAMHALEKTRIJ-GXFFZTMASA-N 1 0 344.249 3.020 20 10 EGCDRO COC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000824758216 1320283026 /nfs/dbraw/zinc/28/30/26/1320283026.db2.gz ODSROZNGAUACOF-CQSZACIVSA-N 1 0 349.814 3.294 20 10 EGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1(Cl)Cl ZINC000824758436 1320283440 /nfs/dbraw/zinc/28/34/40/1320283440.db2.gz WHQMVATUKQZGDR-HNNXBMFYSA-N 1 0 329.271 3.197 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@@H]2CCO[C@H]21 ZINC000825303838 1320326016 /nfs/dbraw/zinc/32/60/16/1320326016.db2.gz MVMUBAJDRPRCIA-IACUBPJLSA-N 1 0 326.234 3.058 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C2CCN(CCOC(C)C)CC2)cc1Cl ZINC000825332023 1320328894 /nfs/dbraw/zinc/32/88/94/1320328894.db2.gz VBXJXSLVZRROJC-UHFFFAOYSA-N 1 0 340.895 3.333 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000825823972 1320365054 /nfs/dbraw/zinc/36/50/54/1320365054.db2.gz DDVPTVXXOHYMLU-ZFWWWQNUSA-N 1 0 326.234 3.298 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000826019673 1320379126 /nfs/dbraw/zinc/37/91/26/1320379126.db2.gz JFORIGORNDZCTH-YQQQUEKLSA-N 1 0 343.515 3.412 20 10 EGCDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)ccc1N1CCCCC1 ZINC000839187076 1320889354 /nfs/dbraw/zinc/88/93/54/1320889354.db2.gz ABALYMIJSHZDNH-APWZRJJASA-N 1 0 345.443 3.196 20 10 EGCDRO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000839564029 1320938470 /nfs/dbraw/zinc/93/84/70/1320938470.db2.gz PZGOFQFRDWZEQR-MRXNPFEDSA-N 1 0 337.467 3.383 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000801982310 1316973749 /nfs/dbraw/zinc/97/37/49/1316973749.db2.gz NLVBHEUNXQZXMK-UHFFFAOYSA-N 1 0 347.503 3.436 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)c(O)c1 ZINC000802651383 1317021373 /nfs/dbraw/zinc/02/13/73/1317021373.db2.gz OAGLLWWVXQYSNG-UHFFFAOYSA-N 1 0 337.423 3.400 20 10 EGCDRO COc1cc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)ccc1F ZINC000802658923 1317022863 /nfs/dbraw/zinc/02/28/63/1317022863.db2.gz ACAAIXMSDAVNGO-UHFFFAOYSA-N 1 0 344.430 3.479 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000802653963 1317023958 /nfs/dbraw/zinc/02/39/58/1317023958.db2.gz DKQBDIYFRXIABJ-SFHVURJKSA-N 1 0 338.423 3.268 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)cc1C ZINC001019133844 1317065954 /nfs/dbraw/zinc/06/59/54/1317065954.db2.gz NGATUMIYDTZPTM-RCCFBDPRSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(C(C)C)CC3)C2)cc1C ZINC001019353752 1317189689 /nfs/dbraw/zinc/18/96/89/1317189689.db2.gz ZZNSEXXAJGXGEV-KRWDZBQOSA-N 1 0 330.472 3.130 20 10 EGCDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1c(O)cccc1Br ZINC000858125656 1328689891 /nfs/dbraw/zinc/68/98/91/1328689891.db2.gz JQTJEWLQGIWXCP-LLVKDONJSA-N 1 0 338.249 3.086 20 10 EGCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000804777183 1317280027 /nfs/dbraw/zinc/28/00/27/1317280027.db2.gz UQZWTKPPXNXRNH-KRWDZBQOSA-N 1 0 340.471 3.093 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C3CC3)C3CC3)C2)cc1C ZINC001019626868 1317310015 /nfs/dbraw/zinc/31/00/15/1317310015.db2.gz AKEQGBPVMVEVHC-SFHVURJKSA-N 1 0 342.483 3.130 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Br)c1ccsc1 ZINC000858143507 1328694850 /nfs/dbraw/zinc/69/48/50/1328694850.db2.gz ZTFSLWDAWLNJGV-CQSZACIVSA-N 1 0 342.258 3.214 20 10 EGCDRO C/C(Cl)=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127168 1317385551 /nfs/dbraw/zinc/38/55/51/1317385551.db2.gz JUWHKUCDCSTQAM-JOHMGYAOSA-N 1 0 343.254 3.269 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000806132469 1317463572 /nfs/dbraw/zinc/46/35/72/1317463572.db2.gz WQSYGYQQWRQVHV-WMLDXEAASA-N 1 0 339.911 3.112 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(Cl)c[nH]3)C2)cc1C ZINC001019986384 1317488397 /nfs/dbraw/zinc/48/83/97/1317488397.db2.gz KZAGIRNZOUYNKN-SHTZXODSSA-N 1 0 347.846 3.036 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3oc(C)cc3C)C2)cc1C ZINC001020059363 1317524065 /nfs/dbraw/zinc/52/40/65/1317524065.db2.gz QXBOVJHCYBJDKW-QAQDUYKDSA-N 1 0 342.439 3.264 20 10 EGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858194987 1328708319 /nfs/dbraw/zinc/70/83/19/1328708319.db2.gz NYWXKZDKDTZZIA-DJJJIMSYSA-N 1 0 334.410 3.285 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[C@H]4C[C@H]43)C2)cc1C ZINC001020320284 1317641279 /nfs/dbraw/zinc/64/12/79/1317641279.db2.gz BQFOSZVXRSEXRB-LTFXXXRZSA-N 1 0 342.483 3.177 20 10 EGCDRO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000903026994 1317641877 /nfs/dbraw/zinc/64/18/77/1317641877.db2.gz YEIHTNPAXYPEKH-MBOZVWFJSA-N 1 0 332.488 3.459 20 10 EGCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000808215644 1317645396 /nfs/dbraw/zinc/64/53/96/1317645396.db2.gz BSUNDFADOBCRAN-MRXNPFEDSA-N 1 0 330.472 3.009 20 10 EGCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1nncn1C ZINC000903067031 1317646618 /nfs/dbraw/zinc/64/66/18/1317646618.db2.gz XYNNEPMYLBNRTM-SCLBCKFNSA-N 1 0 328.460 3.447 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1O ZINC000808673465 1317712256 /nfs/dbraw/zinc/71/22/56/1317712256.db2.gz PPNWTHIXAPGPDX-YOEHRIQHSA-N 1 0 340.895 3.361 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@H](C)c4c3c(O)ccc4F)[C@@H]2C1 ZINC000808722233 1317723219 /nfs/dbraw/zinc/72/32/19/1317723219.db2.gz BKWXQXXMNIYWAH-BQHCWPDZSA-N 1 0 346.446 3.316 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(N(C)C)cc3)[C@@H]2C1 ZINC000808722405 1317723601 /nfs/dbraw/zinc/72/36/01/1317723601.db2.gz BUXFRMOPJFGEAL-FPWFTKFVSA-N 1 0 329.488 3.050 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)cc1 ZINC000809713851 1317873025 /nfs/dbraw/zinc/87/30/25/1317873025.db2.gz NXJLAFVKZUMQIS-GOSISDBHSA-N 1 0 331.504 3.414 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)c1O ZINC000809740435 1317885697 /nfs/dbraw/zinc/88/56/97/1317885697.db2.gz YRIXIZFLTYCSRI-UHFFFAOYSA-N 1 0 327.359 3.015 20 10 EGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)o1 ZINC000809743700 1317887067 /nfs/dbraw/zinc/88/70/67/1317887067.db2.gz ZVCFEXXKJCGZHZ-UHFFFAOYSA-N 1 0 339.775 3.114 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000810242228 1317983811 /nfs/dbraw/zinc/98/38/11/1317983811.db2.gz NMHZCEOGTPVXEQ-AWEZNQCLSA-N 1 0 338.451 3.150 20 10 EGCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000810260388 1317989592 /nfs/dbraw/zinc/98/95/92/1317989592.db2.gz KEZYTPWTIBYVBF-DZGCQCFKSA-N 1 0 326.868 3.252 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN3CCCOc4ccccc43)cc2)CC1 ZINC000811508115 1318187121 /nfs/dbraw/zinc/18/71/21/1318187121.db2.gz ASADBHKNBNCXDR-UHFFFAOYSA-N 1 0 337.467 3.228 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1O ZINC000811518240 1318194720 /nfs/dbraw/zinc/19/47/20/1318194720.db2.gz HQGBAENCJDHHMT-HNNXBMFYSA-N 1 0 342.277 3.350 20 10 EGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000811906075 1318288110 /nfs/dbraw/zinc/28/81/10/1318288110.db2.gz QJTHEJJMFMOXAV-HOTGVXAUSA-N 1 0 334.508 3.233 20 10 EGCDRO CON(C)C(=O)C1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000812293872 1318360259 /nfs/dbraw/zinc/36/02/59/1318360259.db2.gz ZMDQIMJAFYVLRU-UHFFFAOYSA-N 1 0 334.460 3.056 20 10 EGCDRO C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000813883708 1318650676 /nfs/dbraw/zinc/65/06/76/1318650676.db2.gz WAOMDIHLHOICMZ-HNNXBMFYSA-N 1 0 335.451 3.455 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1O ZINC000814170097 1318687172 /nfs/dbraw/zinc/68/71/72/1318687172.db2.gz RSKGLPHWXHXPDV-INIZCTEOSA-N 1 0 327.852 3.331 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c1O ZINC000814172600 1318688797 /nfs/dbraw/zinc/68/87/97/1318688797.db2.gz VEUFERJKFOBTDL-GJZGRUSLSA-N 1 0 338.423 3.138 20 10 EGCDRO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2O)nc(N2CCCC2)n1 ZINC000814178387 1318692241 /nfs/dbraw/zinc/69/22/41/1318692241.db2.gz NUPGZJNPKKSVNX-UHFFFAOYSA-N 1 0 332.835 3.034 20 10 EGCDRO Cc1cc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)ccc1N(C)C ZINC000815053652 1318875219 /nfs/dbraw/zinc/87/52/19/1318875219.db2.gz VOYMTZOFSBDZJU-GOSISDBHSA-N 1 0 338.499 3.335 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815094609 1318890286 /nfs/dbraw/zinc/89/02/86/1318890286.db2.gz DSYDPOPIWYKDFV-AEFFLSMTSA-N 1 0 347.503 3.408 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000815625701 1319030300 /nfs/dbraw/zinc/03/03/00/1319030300.db2.gz KHUSZMDSTQTORU-IRXDYDNUSA-N 1 0 345.487 3.340 20 10 EGCDRO C[C@@H]([NH2+]CCN(C)CC(F)F)c1ccc(Br)cc1O ZINC000858596629 1328805602 /nfs/dbraw/zinc/80/56/02/1328805602.db2.gz HTUKFJRSVHVDMB-SECBINFHSA-N 1 0 337.208 3.002 20 10 EGCDRO Oc1c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc2ccccc21 ZINC000816505397 1319169475 /nfs/dbraw/zinc/16/94/75/1319169475.db2.gz VEXXYPDTYUZODN-KRWDZBQOSA-N 1 0 348.450 3.463 20 10 EGCDRO Oc1c(C[NH2+]Cc2cccnc2-n2cccn2)ccc2ccccc21 ZINC000816534218 1319177095 /nfs/dbraw/zinc/17/70/95/1319177095.db2.gz AXDISYAPRMUTCW-UHFFFAOYSA-N 1 0 330.391 3.416 20 10 EGCDRO O=c1[nH]c2ccccc2n1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816555459 1319181463 /nfs/dbraw/zinc/18/14/63/1319181463.db2.gz FSHYRMJWFRWMPI-UHFFFAOYSA-N 1 0 333.391 3.391 20 10 EGCDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816551773 1319181767 /nfs/dbraw/zinc/18/17/67/1319181767.db2.gz OGVZHSPWWXZJLL-WBVHZDCISA-N 1 0 326.440 3.282 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)C2CCCCC2)c1O ZINC000816650190 1319199982 /nfs/dbraw/zinc/19/99/82/1319199982.db2.gz XJLMBSHJTIYYKS-AWEZNQCLSA-N 1 0 327.852 3.333 20 10 EGCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1CCNC(=O)CC1 ZINC000817295495 1319318329 /nfs/dbraw/zinc/31/83/29/1319318329.db2.gz ITVFJUFIZCHXBD-NVXWUHKLSA-N 1 0 330.472 3.246 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCO)CC3)cc2)CC1 ZINC000817296045 1319318732 /nfs/dbraw/zinc/31/87/32/1319318732.db2.gz DACPKYQZLWGGDQ-SFHVURJKSA-N 1 0 346.515 3.286 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H](CO)O1 ZINC000817412094 1319350759 /nfs/dbraw/zinc/35/07/59/1319350759.db2.gz CWULFAXSVXBZLK-GOSISDBHSA-N 1 0 327.424 3.031 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000817941036 1319469869 /nfs/dbraw/zinc/46/98/69/1319469869.db2.gz IKEDHTBMIYJYJZ-JKSUJKDBSA-N 1 0 349.400 3.447 20 10 EGCDRO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817954765 1319475242 /nfs/dbraw/zinc/47/52/42/1319475242.db2.gz IWVNDJMYEKIELK-VHSXEESVSA-N 1 0 347.684 3.458 20 10 EGCDRO CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817953799 1319475626 /nfs/dbraw/zinc/47/56/26/1319475626.db2.gz RNNYJOLVDMBDIH-JTQLQIEISA-N 1 0 333.245 3.333 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1nc(Br)cs1 ZINC000817956908 1319476540 /nfs/dbraw/zinc/47/65/40/1319476540.db2.gz FSZRRZDNHNNYPM-SECBINFHSA-N 1 0 326.263 3.381 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000817956129 1319476687 /nfs/dbraw/zinc/47/66/87/1319476687.db2.gz RIMVBOIGOVDWBV-CQSZACIVSA-N 1 0 325.412 3.119 20 10 EGCDRO CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817958156 1319476706 /nfs/dbraw/zinc/47/67/06/1319476706.db2.gz IKRVQEJFSUVFNB-PRHODGIISA-N 1 0 335.673 3.442 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817954842 1319476902 /nfs/dbraw/zinc/47/69/02/1319476902.db2.gz LEWBJYGGQCKEAA-BEFAXECRSA-N 1 0 343.446 3.013 20 10 EGCDRO CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817960936 1319478433 /nfs/dbraw/zinc/47/84/33/1319478433.db2.gz UQYPMCOFATVXOX-SECBINFHSA-N 1 0 333.245 3.462 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)c(F)cc1[O-] ZINC000817976895 1319483919 /nfs/dbraw/zinc/48/39/19/1319483919.db2.gz WNXLIFROJWKDRD-LKFCYVNXSA-N 1 0 343.240 3.087 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(Br)cc(F)c1[O-] ZINC000817981794 1319485281 /nfs/dbraw/zinc/48/52/81/1319485281.db2.gz NSWQCZXNBYTRDP-NGZCFLSTSA-N 1 0 331.229 3.072 20 10 EGCDRO CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983209 1319485591 /nfs/dbraw/zinc/48/55/91/1319485591.db2.gz ZIWVIGGNHFTABG-RISCZKNCSA-N 1 0 333.259 3.118 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000915637244 1319511786 /nfs/dbraw/zinc/51/17/86/1319511786.db2.gz DJTJCHWGMUBFKM-UHFFFAOYSA-N 1 0 348.450 3.270 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccnc3Cl)C2)cc1 ZINC000818220442 1319521111 /nfs/dbraw/zinc/52/11/11/1319521111.db2.gz KJRIKXRMJGMHGD-CQSZACIVSA-N 1 0 331.847 3.360 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000818219437 1319521191 /nfs/dbraw/zinc/52/11/91/1319521191.db2.gz FRYJYMKRYOVMAV-CYBMUJFWSA-N 1 0 347.440 3.281 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000818219451 1319521790 /nfs/dbraw/zinc/52/17/90/1319521790.db2.gz GKSWTWLFYKNRQI-KRWDZBQOSA-N 1 0 326.440 3.320 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818340948 1319530274 /nfs/dbraw/zinc/53/02/74/1319530274.db2.gz SUIYASKVQDZDTN-LBPRGKRZSA-N 1 0 336.863 3.212 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)C2)cc1 ZINC000818341863 1319530406 /nfs/dbraw/zinc/53/04/06/1319530406.db2.gz HWBXMIRHPDIZPX-CVEARBPZSA-N 1 0 348.487 3.231 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)C12CCC2 ZINC000818343155 1319532598 /nfs/dbraw/zinc/53/25/98/1319532598.db2.gz YTWSDSDGHLVTBD-PWIZWCRZSA-N 1 0 344.499 3.459 20 10 EGCDRO CN1CCCc2cc(C[NH2+]CCC(=O)Nc3ccccc3F)ccc21 ZINC000818985207 1319605138 /nfs/dbraw/zinc/60/51/38/1319605138.db2.gz OHPZJNJEJAKQPR-UHFFFAOYSA-N 1 0 341.430 3.327 20 10 EGCDRO CC1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc2)CC1 ZINC000819040268 1319620932 /nfs/dbraw/zinc/62/09/32/1319620932.db2.gz YERIGJCGQWJJLB-MRXNPFEDSA-N 1 0 330.394 3.326 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000819076956 1319628466 /nfs/dbraw/zinc/62/84/66/1319628466.db2.gz HWEKYDQZVUOGOC-UHFFFAOYSA-N 1 0 329.419 3.319 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3ccc(C)cc3)C2)cc1 ZINC000819379153 1319714035 /nfs/dbraw/zinc/71/40/35/1319714035.db2.gz CUILCVJQVMULNY-UWJYYQICSA-N 1 0 340.467 3.153 20 10 EGCDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNc1ccccc1OCC1CC1 ZINC000819450661 1319735866 /nfs/dbraw/zinc/73/58/66/1319735866.db2.gz DYPLNNKZQWXSLG-IBGZPJMESA-N 1 0 340.467 3.380 20 10 EGCDRO CC(C)[N@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1ccc(N(C)C)cc1 ZINC000917074921 1319750950 /nfs/dbraw/zinc/75/09/50/1319750950.db2.gz LTLURRIDAQIDQK-QGZVFWFLSA-N 1 0 331.504 3.222 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C ZINC000917455872 1319814340 /nfs/dbraw/zinc/81/43/40/1319814340.db2.gz BQCCYURPEBBHGO-UHFFFAOYSA-N 1 0 341.411 3.239 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CC34CCC4)C2)cc1C ZINC000962363895 1319931343 /nfs/dbraw/zinc/93/13/43/1319931343.db2.gz FCUYBJUQINWROE-DAWZGUTISA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC34CCC4)C2)cc1C ZINC000962363894 1319932001 /nfs/dbraw/zinc/93/20/01/1319932001.db2.gz FCUYBJUQINWROE-ABHNRTSZSA-N 1 0 342.483 3.178 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c1O ZINC000821336527 1320007144 /nfs/dbraw/zinc/00/71/44/1320007144.db2.gz CSZQLNCGRQCPMV-QGZVFWFLSA-N 1 0 345.418 3.093 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(C)c3O)C2)cc1 ZINC000822494603 1320088383 /nfs/dbraw/zinc/08/83/83/1320088383.db2.gz RTQKBQWAOYWMMI-INIZCTEOSA-N 1 0 326.440 3.325 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(C)c3O)C2)cc1 ZINC000822494605 1320088481 /nfs/dbraw/zinc/08/84/81/1320088481.db2.gz RTQKBQWAOYWMMI-MRXNPFEDSA-N 1 0 326.440 3.325 20 10 EGCDRO COc1ccc(-n2cc(C[NH2+]Cc3ccc4c(c3)CCO4)cn2)cc1 ZINC000823752012 1320203631 /nfs/dbraw/zinc/20/36/31/1320203631.db2.gz ALHULTDYMXUNIW-UHFFFAOYSA-N 1 0 335.407 3.106 20 10 EGCDRO Cc1c(Cl)cncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824494921 1320261987 /nfs/dbraw/zinc/26/19/87/1320261987.db2.gz XSCSRNHSRPDDTB-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO CO[C@](C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000824780602 1320284751 /nfs/dbraw/zinc/28/47/51/1320284751.db2.gz VYTJRWQKPBLUGS-OAQYLSRUSA-N 1 0 340.467 3.175 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000824847512 1320291744 /nfs/dbraw/zinc/29/17/44/1320291744.db2.gz ZXHWXXXJHAQRLC-SFTDATJTSA-N 1 0 344.499 3.051 20 10 EGCDRO COc1cc(O)c(C[NH2+]C2(Cc3ccc(F)cc3)CC2)cc1OC ZINC000825016306 1320304087 /nfs/dbraw/zinc/30/40/87/1320304087.db2.gz AMHPOBQPBKHAHJ-UHFFFAOYSA-N 1 0 331.387 3.413 20 10 EGCDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1n1cccn1 ZINC000825118171 1320312553 /nfs/dbraw/zinc/31/25/53/1320312553.db2.gz PZWBWROLQFCFJD-OIISXLGYSA-N 1 0 333.407 3.015 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCCNC(=O)c2cccs2)cc1Cl ZINC000825273295 1320322659 /nfs/dbraw/zinc/32/26/59/1320322659.db2.gz GGBHUYZSDOVNKS-UHFFFAOYSA-N 1 0 338.860 3.325 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000825283321 1320323521 /nfs/dbraw/zinc/32/35/21/1320323521.db2.gz IYANWPCPNVXJKQ-MRXNPFEDSA-N 1 0 336.229 3.152 20 10 EGCDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc(Br)ccc2O)C1 ZINC000825331468 1320328516 /nfs/dbraw/zinc/32/85/16/1320328516.db2.gz HEYLKRFFQRBZQE-AWEZNQCLSA-N 1 0 327.266 3.069 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1Cl ZINC000825731685 1320358649 /nfs/dbraw/zinc/35/86/49/1320358649.db2.gz KGMBLNMTNJTABL-CYBMUJFWSA-N 1 0 325.836 3.124 20 10 EGCDRO O=C1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]2N1 ZINC000827140152 1320429606 /nfs/dbraw/zinc/42/96/06/1320429606.db2.gz IJZAATKSLBWYNJ-MJGOQNOKSA-N 1 0 336.435 3.160 20 10 EGCDRO Cc1cc(C(=O)NCCCC[N@@H+](C)C2CC2)c(C)n1-c1ccccn1 ZINC000837226282 1320587883 /nfs/dbraw/zinc/58/78/83/1320587883.db2.gz RXEMRWSHWXDACR-UHFFFAOYSA-N 1 0 340.471 3.093 20 10 EGCDRO c1ccc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000930571383 1328900854 /nfs/dbraw/zinc/90/08/54/1328900854.db2.gz VTVHRGOJLBOFQZ-IBGZPJMESA-N 1 0 337.467 3.298 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000838926852 1320836814 /nfs/dbraw/zinc/83/68/14/1320836814.db2.gz MGNVEKHNEYLPTO-UHFFFAOYSA-N 1 0 338.455 3.121 20 10 EGCDRO COc1cc(O)c(CNc2ccc(C[NH+](C)C)c(C)c2)cc1OC ZINC000839189902 1320890394 /nfs/dbraw/zinc/89/03/94/1320890394.db2.gz VIKUQKQEXXUDSA-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087430 1321025815 /nfs/dbraw/zinc/02/58/15/1321025815.db2.gz SFSVWJBMAFTADP-HXUWFJFHSA-N 1 0 332.488 3.313 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c(O)c1 ZINC000840881919 1321169059 /nfs/dbraw/zinc/16/90/59/1321169059.db2.gz LEUHXWKJAIWGRN-SUMWQHHRSA-N 1 0 328.387 3.296 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000840911992 1321175677 /nfs/dbraw/zinc/17/56/77/1321175677.db2.gz FJPYAACUASEWBE-UHFFFAOYSA-N 1 0 330.501 3.230 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000840942133 1321182655 /nfs/dbraw/zinc/18/26/55/1321182655.db2.gz SYZLVPMQAZUFMF-ZBFHGGJFSA-N 1 0 330.394 3.196 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000840948739 1321183805 /nfs/dbraw/zinc/18/38/05/1321183805.db2.gz IFUWKZTUYZVGDH-LJQANCHMSA-N 1 0 327.472 3.305 20 10 EGCDRO Fc1cc(CNCC[NH2+]C2CCCCCC2)ccc1N1CCOCC1 ZINC000841029168 1321203319 /nfs/dbraw/zinc/20/33/19/1321203319.db2.gz VDGIKROCLILFII-UHFFFAOYSA-N 1 0 349.494 3.064 20 10 EGCDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(N)cc2)c(C)c1 ZINC000841033856 1321205068 /nfs/dbraw/zinc/20/50/68/1321205068.db2.gz CGXRCYIUGWYGRY-MRXNPFEDSA-N 1 0 325.456 3.435 20 10 EGCDRO CC(C)Oc1cccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841044841 1321208519 /nfs/dbraw/zinc/20/85/19/1321208519.db2.gz YYNAZCTXTMCZNM-HXUWFJFHSA-N 1 0 327.472 3.329 20 10 EGCDRO CC(C)Oc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841043620 1321208708 /nfs/dbraw/zinc/20/87/08/1321208708.db2.gz PRJKDERRIYHMTC-FQEVSTJZSA-N 1 0 327.472 3.329 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000841073736 1321213781 /nfs/dbraw/zinc/21/37/81/1321213781.db2.gz WXZGPNAKOHLFMJ-CYBMUJFWSA-N 1 0 327.266 3.085 20 10 EGCDRO [NH3+]CC[C@@H](NCc1ccc(OCc2ccccc2)cc1O)C(F)F ZINC000841075244 1321214757 /nfs/dbraw/zinc/21/47/57/1321214757.db2.gz ZOFOQMAXUGYOFF-MRXNPFEDSA-N 1 0 336.382 3.043 20 10 EGCDRO COc1cccc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)c1O ZINC000841081953 1321215127 /nfs/dbraw/zinc/21/51/27/1321215127.db2.gz GDHPXGQBUXZCGY-HNNXBMFYSA-N 1 0 328.412 3.375 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c1 ZINC000841082395 1321215193 /nfs/dbraw/zinc/21/51/93/1321215193.db2.gz FFYNGXCKHORWLE-MRXNPFEDSA-N 1 0 328.412 3.375 20 10 EGCDRO Nc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000841299866 1321249429 /nfs/dbraw/zinc/24/94/29/1321249429.db2.gz JBOJWAHBWXVVPM-MRXNPFEDSA-N 1 0 330.476 3.389 20 10 EGCDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841302143 1321250700 /nfs/dbraw/zinc/25/07/00/1321250700.db2.gz NCUHVUOCHPHIBY-UHFFFAOYSA-N 1 0 338.455 3.317 20 10 EGCDRO [NH3+]Cc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000841303676 1321251457 /nfs/dbraw/zinc/25/14/57/1321251457.db2.gz DMQWAMHZSBHRBS-UHFFFAOYSA-N 1 0 325.412 3.051 20 10 EGCDRO CCC(CC)[C@@H](CNC(=O)NCCc1ccc(N)cc1)[NH+]1CCCC1 ZINC000841676886 1321295593 /nfs/dbraw/zinc/29/55/93/1321295593.db2.gz PGFXEKHUUIZPGM-LJQANCHMSA-N 1 0 346.519 3.011 20 10 EGCDRO CC1(C)C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CO1 ZINC000841863251 1321324481 /nfs/dbraw/zinc/32/44/81/1321324481.db2.gz KGGFCTXWGBBYLR-HOTGVXAUSA-N 1 0 338.879 3.167 20 10 EGCDRO CN(C)C(=O)c1ccccc1C[NH2+]CCCSc1nccs1 ZINC000841865303 1321325005 /nfs/dbraw/zinc/32/50/05/1321325005.db2.gz PCUFKZMOEQQDNR-UHFFFAOYSA-N 1 0 335.498 3.117 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000841927387 1321330311 /nfs/dbraw/zinc/33/03/11/1321330311.db2.gz KWVZZTVHINQSML-WMZOPIPTSA-N 1 0 346.519 3.061 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841996483 1321334270 /nfs/dbraw/zinc/33/42/70/1321334270.db2.gz TZGZZWWXOPBRKO-QAQDUYKDSA-N 1 0 347.503 3.469 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](CC)C(=O)NCc2cccs2)c(O)c1 ZINC000842749606 1321427583 /nfs/dbraw/zinc/42/75/83/1321427583.db2.gz DKZVZYBOMJAKPF-INIZCTEOSA-N 1 0 348.468 3.037 20 10 EGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000842915218 1321448377 /nfs/dbraw/zinc/44/83/77/1321448377.db2.gz IPEFLXKOYJPKTE-YQQAZPJKSA-N 1 0 338.467 3.110 20 10 EGCDRO COc1cccc(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1O ZINC000843053312 1321461709 /nfs/dbraw/zinc/46/17/09/1321461709.db2.gz VGGDZPUYEIYTCJ-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccc(F)cc2)no1 ZINC000843349554 1321503437 /nfs/dbraw/zinc/50/34/37/1321503437.db2.gz CZKGKRKPOWEWFV-UHFFFAOYSA-N 1 0 338.386 3.287 20 10 EGCDRO Cc1ccccc1Cc1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843350728 1321504513 /nfs/dbraw/zinc/50/45/13/1321504513.db2.gz UCKOWFIKSTZCLE-UHFFFAOYSA-N 1 0 348.450 3.380 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843387824 1321509925 /nfs/dbraw/zinc/50/99/25/1321509925.db2.gz JBZUFSYKWKPSOK-KBPBESRZSA-N 1 0 336.863 3.070 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000843455143 1321519735 /nfs/dbraw/zinc/51/97/35/1321519735.db2.gz JETYEFKRHZAQKO-DZGCQCFKSA-N 1 0 329.419 3.043 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC(C)([NH3+])CC3)c2C)cc1 ZINC000843467907 1321521245 /nfs/dbraw/zinc/52/12/45/1321521245.db2.gz LCVYDCUKFQBVBT-UHFFFAOYSA-N 1 0 341.455 3.056 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[NH2+]CC1CC1 ZINC000843486560 1321522183 /nfs/dbraw/zinc/52/21/83/1321522183.db2.gz UOLSOWJFSKXZCC-INIZCTEOSA-N 1 0 338.451 3.482 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000843488446 1321522259 /nfs/dbraw/zinc/52/22/59/1321522259.db2.gz ZVAAQRHNCQXUKU-QGZVFWFLSA-N 1 0 331.847 3.064 20 10 EGCDRO C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000844850532 1321650565 /nfs/dbraw/zinc/65/05/65/1321650565.db2.gz UXFBNEWIIMDVLQ-MRXNPFEDSA-N 1 0 347.846 3.148 20 10 EGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C[C@H]1C ZINC000845971076 1321759871 /nfs/dbraw/zinc/75/98/71/1321759871.db2.gz GZXIVNLITLGHBA-HGTKMLMNSA-N 1 0 335.444 3.419 20 10 EGCDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)[nH]c1C ZINC000845970618 1321760066 /nfs/dbraw/zinc/76/00/66/1321760066.db2.gz ALFFAKPCSZQCRJ-LLVKDONJSA-N 1 0 332.400 3.065 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c1O ZINC000846136959 1321770101 /nfs/dbraw/zinc/77/01/01/1321770101.db2.gz OOSDCOVLYBOCBQ-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c1O ZINC000846142377 1321770840 /nfs/dbraw/zinc/77/08/40/1321770840.db2.gz SGMJXYAPYBEPTA-OAHLLOKOSA-N 1 0 342.439 3.088 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000846145317 1321771291 /nfs/dbraw/zinc/77/12/91/1321771291.db2.gz NYUYTPMEVPOECP-VXGBXAGGSA-N 1 0 329.400 3.303 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000846174734 1321774514 /nfs/dbraw/zinc/77/45/14/1321774514.db2.gz YTRXJLAOVKHHPR-SUMWQHHRSA-N 1 0 332.419 3.493 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000846206851 1321776045 /nfs/dbraw/zinc/77/60/45/1321776045.db2.gz USRZJAYKMNOBTJ-IAGOWNOFSA-N 1 0 341.499 3.338 20 10 EGCDRO Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000848521552 1321968100 /nfs/dbraw/zinc/96/81/00/1321968100.db2.gz POTZSLKPEVCYIK-CQSZACIVSA-N 1 0 328.485 3.189 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848575982 1321979209 /nfs/dbraw/zinc/97/92/09/1321979209.db2.gz YRWDVNITKUBJAW-LSDHHAIUSA-N 1 0 339.277 3.261 20 10 EGCDRO CCc1cccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1O ZINC000848894695 1322034998 /nfs/dbraw/zinc/03/49/98/1322034998.db2.gz HANZRTOMSXGJBV-UHFFFAOYSA-N 1 0 338.451 3.414 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)cc1C ZINC000849349750 1322116926 /nfs/dbraw/zinc/11/69/26/1322116926.db2.gz IAKGCUFRJPCXBZ-RTBURBONSA-N 1 0 328.431 3.383 20 10 EGCDRO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)c(C)n1-c1ccccn1 ZINC000920459777 1322180797 /nfs/dbraw/zinc/18/07/97/1322180797.db2.gz XITZXLYNBGSKQP-INIZCTEOSA-N 1 0 340.471 3.093 20 10 EGCDRO Fc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1F ZINC000850069488 1322189643 /nfs/dbraw/zinc/18/96/43/1322189643.db2.gz NWUJNHZBPKSOPB-UHFFFAOYSA-N 1 0 336.357 3.230 20 10 EGCDRO COc1cc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850116982 1322194286 /nfs/dbraw/zinc/19/42/86/1322194286.db2.gz SGKCZTXIDTVKSK-MOPGFXCFSA-N 1 0 341.451 3.446 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1F ZINC000850354958 1322231679 /nfs/dbraw/zinc/23/16/79/1322231679.db2.gz DWIKXLHIZIWPDV-LNPFQXMTSA-N 1 0 340.508 3.451 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)CC1 ZINC000850406667 1322240684 /nfs/dbraw/zinc/24/06/84/1322240684.db2.gz PHJWCHBIHBLTRK-UHFFFAOYSA-N 1 0 335.451 3.419 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406146 1322241161 /nfs/dbraw/zinc/24/11/61/1322241161.db2.gz UKPFTZHTKZSNDB-UHFFFAOYSA-N 1 0 346.858 3.297 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)ccc1OC ZINC000850411961 1322241347 /nfs/dbraw/zinc/24/13/47/1322241347.db2.gz PODQUZRLHSBGAP-OXQOHEQNSA-N 1 0 343.467 3.486 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000850418194 1322244552 /nfs/dbraw/zinc/24/45/52/1322244552.db2.gz APTTUQRIBPSWCD-AWEZNQCLSA-N 1 0 341.329 3.031 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(Br)cc1O ZINC000850544951 1322263921 /nfs/dbraw/zinc/26/39/21/1322263921.db2.gz KXTPQSHXBDUXAE-JQWIXIFHSA-N 1 0 328.250 3.214 20 10 EGCDRO C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000850557708 1322267349 /nfs/dbraw/zinc/26/73/49/1322267349.db2.gz RZOGXGWXDVKEKD-BEFAXECRSA-N 1 0 344.499 3.175 20 10 EGCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850568180 1322269324 /nfs/dbraw/zinc/26/93/24/1322269324.db2.gz RAKSVDKQPFLMLK-MRXNPFEDSA-N 1 0 325.456 3.202 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccccc1O ZINC000850574002 1322271267 /nfs/dbraw/zinc/27/12/67/1322271267.db2.gz ACEIWMNCZAIDPH-AWEZNQCLSA-N 1 0 325.412 3.163 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3c(Cl)c(C)nn3C)CC2)cc1 ZINC000921654095 1322371308 /nfs/dbraw/zinc/37/13/08/1322371308.db2.gz CZBGVFXSXLPYTG-UHFFFAOYSA-N 1 0 348.878 3.149 20 10 EGCDRO c1cc2c(cc1C[NH2+]Cc1ccc3c(c1)OCCCO3)CCCO2 ZINC000921670813 1322375958 /nfs/dbraw/zinc/37/59/58/1322375958.db2.gz KXFZHVFQHDMNIR-UHFFFAOYSA-N 1 0 325.408 3.463 20 10 EGCDRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000859614602 1329034899 /nfs/dbraw/zinc/03/48/99/1329034899.db2.gz IDUGSXDYUSAPPJ-KRWDZBQOSA-N 1 0 339.399 3.212 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2C[C@H](CC[NH3+])c3ccccc32)c1O ZINC000923559541 1322776817 /nfs/dbraw/zinc/77/68/17/1322776817.db2.gz NPLZISDXRQFUAJ-ZDUSSCGKSA-N 1 0 328.387 3.187 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C3CC=CC3)C2)cc1C ZINC001023904461 1323013752 /nfs/dbraw/zinc/01/37/52/1323013752.db2.gz BRKICOLVEWVGNX-GOSISDBHSA-N 1 0 342.483 3.298 20 10 EGCDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000924727324 1323135592 /nfs/dbraw/zinc/13/55/92/1323135592.db2.gz FCFGXWUSDNCKSR-IEBWSBKVSA-N 1 0 343.515 3.303 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(N(C)C(=O)C(F)F)CC2)cc1C ZINC000962967409 1323176151 /nfs/dbraw/zinc/17/61/51/1323176151.db2.gz IFQXCAIFMUUMOF-UHFFFAOYSA-N 1 0 340.414 3.128 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000925079993 1323270016 /nfs/dbraw/zinc/27/00/16/1323270016.db2.gz JWCLFYKAFRZDJG-INIZCTEOSA-N 1 0 335.455 3.493 20 10 EGCDRO CN(C(=O)CC[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000853100383 1323281326 /nfs/dbraw/zinc/28/13/26/1323281326.db2.gz CYGJNUAALBYLQF-UHFFFAOYSA-N 1 0 335.451 3.206 20 10 EGCDRO C/C=C(\C)C(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)[C@@H]2C1 ZINC001026235534 1324679308 /nfs/dbraw/zinc/67/93/08/1324679308.db2.gz RRSIQMCFRSNLTA-BJFCQKNYSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)C3CC=CC3)CC2)cc1C ZINC001026468379 1324826886 /nfs/dbraw/zinc/82/68/86/1324826886.db2.gz ZVCQPMJDHCVKRG-UHFFFAOYSA-N 1 0 342.483 3.487 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(C)co3)C2)cc1C ZINC001027010492 1325150021 /nfs/dbraw/zinc/15/00/21/1325150021.db2.gz WGWYHWSEVRXYMC-KRWDZBQOSA-N 1 0 342.439 3.157 20 10 EGCDRO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cc(F)ccc1O ZINC000854221831 1325229988 /nfs/dbraw/zinc/22/99/88/1325229988.db2.gz ASXZXWSHHNICBC-XHBKTUGNSA-N 1 0 332.394 3.467 20 10 EGCDRO COc1cc(CCC[NH2+]Cc2cc(C)c(C)cc2O)cc(OC)c1O ZINC000856812167 1325530973 /nfs/dbraw/zinc/53/09/73/1325530973.db2.gz JRUKZQHUZNQOER-UHFFFAOYSA-N 1 0 345.439 3.454 20 10 EGCDRO C/C(=C\C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccs1 ZINC000856993203 1325552964 /nfs/dbraw/zinc/55/29/64/1325552964.db2.gz ABJQJOQCEINLKB-SICOMBFOSA-N 1 0 329.469 3.034 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)cc1Cl ZINC000857063498 1325566278 /nfs/dbraw/zinc/56/62/78/1325566278.db2.gz UMWUONWFNUWSMZ-SFHVURJKSA-N 1 0 349.862 3.033 20 10 EGCDRO CC[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000927079558 1327849527 /nfs/dbraw/zinc/84/95/27/1327849527.db2.gz GDTOQJBGBUHNBD-OCCSQVGLSA-N 1 0 344.249 3.001 20 10 EGCDRO CC[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000927079559 1327849718 /nfs/dbraw/zinc/84/97/18/1327849718.db2.gz GDTOQJBGBUHNBD-TZMCWYRMSA-N 1 0 344.249 3.001 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000862228394 1329468211 /nfs/dbraw/zinc/46/82/11/1329468211.db2.gz BNYOLLSAPYKKSE-LLVKDONJSA-N 1 0 336.233 3.257 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cccc4n[nH]cc43)CC2)cc1F ZINC000862252191 1329471359 /nfs/dbraw/zinc/47/13/59/1329471359.db2.gz SOODGRFCEKMXSJ-UHFFFAOYSA-N 1 0 340.402 3.033 20 10 EGCDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CCCC[C@@H]1O ZINC000862300122 1329474493 /nfs/dbraw/zinc/47/44/93/1329474493.db2.gz KQHULCWIGMNZHQ-RISCZKNCSA-N 1 0 328.250 3.138 20 10 EGCDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862337729 1329475975 /nfs/dbraw/zinc/47/59/75/1329475975.db2.gz ZJNONUKCTPQOHT-JTNHKYCSSA-N 1 0 328.250 3.136 20 10 EGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862348568 1329476280 /nfs/dbraw/zinc/47/62/80/1329476280.db2.gz BONXEIHTCHOGSV-OAHLLOKOSA-N 1 0 328.250 3.282 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cc(C)c(Br)cn2)c1O ZINC000862367367 1329478653 /nfs/dbraw/zinc/47/86/53/1329478653.db2.gz GNUQMOQEKMCHJT-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000862396022 1329482403 /nfs/dbraw/zinc/48/24/03/1329482403.db2.gz 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C[C@@H]1C[C@H]([NH2+]C[C@@H](n2cncn2)C(F)(F)F)c2c1c(F)ccc2O ZINC000866436697 1330112269 /nfs/dbraw/zinc/11/22/69/1330112269.db2.gz QRAQOBCXZPJYPV-UBHAPETDSA-N 1 0 344.312 3.064 20 10 EGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(S(C)(=O)=O)cc1 ZINC000866535458 1330123196 /nfs/dbraw/zinc/12/31/96/1330123196.db2.gz DPDLFAHZOFDVSJ-DYVFJYSZSA-N 1 0 345.464 3.176 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccoc3Cl)C2)cc1C ZINC000968518702 1335951729 /nfs/dbraw/zinc/95/17/29/1335951729.db2.gz KCFSHDMSOAQNEZ-CQSZACIVSA-N 1 0 348.830 3.254 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C3CC3)C3CC3)C2)cc1C ZINC000970439155 1336308333 /nfs/dbraw/zinc/30/83/33/1336308333.db2.gz AKEQGBPVMVEVHC-GOSISDBHSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)/C=C(/C)C3CC3)C2)cc1C ZINC001018574247 1339669897 /nfs/dbraw/zinc/66/98/97/1339669897.db2.gz CAIFNNQDDIXRHO-RMHQSFGDSA-N 1 0 328.456 3.050 20 10 EGCDRO CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699135 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345.447 3.089 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c2ccccc21 ZINC001204234371 1370418010 /nfs/dbraw/zinc/41/80/10/1370418010.db2.gz ZOQLYZNCERFWMJ-HNNXBMFYSA-N 1 0 334.410 3.355 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(c3nncn3C)CC2)c2ccccc21 ZINC001204240298 1370418840 /nfs/dbraw/zinc/41/88/40/1370418840.db2.gz NUYXVOBCKSAKEN-UHFFFAOYSA-N 1 0 349.482 3.414 20 10 EGCDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204320300 1370442977 /nfs/dbraw/zinc/44/29/77/1370442977.db2.gz RQMJVPFAXNXNGK-UHFFFAOYSA-N 1 0 333.476 3.243 20 10 EGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC001204321230 1370443769 /nfs/dbraw/zinc/44/37/69/1370443769.db2.gz HWLJWGVEXZQEDQ-APWZRJJASA-N 1 0 330.472 3.450 20 10 EGCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204323687 1370443932 /nfs/dbraw/zinc/44/39/32/1370443932.db2.gz VMDYIRHQNLDLRS-SFTDATJTSA-N 1 0 344.499 3.304 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)cc(O)c1O ZINC001204344288 1370448897 /nfs/dbraw/zinc/44/88/97/1370448897.db2.gz FQLUUSPVPWKTBO-HNNXBMFYSA-N 1 0 346.452 3.258 20 10 EGCDRO C[C@@]1([NH3+])CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001204946477 1370613015 /nfs/dbraw/zinc/61/30/15/1370613015.db2.gz OPNHJJVRJAQXSS-HXUWFJFHSA-N 1 0 326.440 3.284 20 10 EGCDRO C[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1[NH3+] ZINC001205871991 1370897087 /nfs/dbraw/zinc/89/70/87/1370897087.db2.gz BJBCJXLQSSCSNF-BEFAXECRSA-N 1 0 326.440 3.140 20 10 EGCDRO COc1ccc(C[NH2+]CCC2Cc3ccccc3C2)c(O)c1OC ZINC001120038510 1371465720 /nfs/dbraw/zinc/46/57/20/1371465720.db2.gz UXRPQWQHYNESRW-UHFFFAOYSA-N 1 0 327.424 3.304 20 10 EGCDRO CC/C(C)=C\C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001208002681 1371564854 /nfs/dbraw/zinc/56/48/54/1371564854.db2.gz XNRYRQNSGTZDBT-RXBGNRNISA-N 1 0 330.472 3.441 20 10 EGCDRO CC/C(C)=C/C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001208002679 1371564859 /nfs/dbraw/zinc/56/48/59/1371564859.db2.gz XNRYRQNSGTZDBT-HAZIXKIPSA-N 1 0 330.472 3.441 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCN(c3cncnc3)CC2)cc1 ZINC001209517398 1372126943 /nfs/dbraw/zinc/12/69/43/1372126943.db2.gz CBBGJAQQGDRQKL-UHFFFAOYSA-N 1 0 347.466 3.206 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC3(CC(=O)CO3)CC2)cc1 ZINC001209516912 1372127257 /nfs/dbraw/zinc/12/72/57/1372127257.db2.gz SMTMHZSSLLRURJ-UHFFFAOYSA-N 1 0 338.451 3.418 20 10 EGCDRO c1cc(Nc2ccc3c(c2)OCCN3)ccc1CC[NH+]1CCOCC1 ZINC001209767954 1372189536 /nfs/dbraw/zinc/18/95/36/1372189536.db2.gz TZGCCCZICLZZBZ-UHFFFAOYSA-N 1 0 339.439 3.109 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCc2ccc(N)cc2)c1 ZINC001122445129 1372249178 /nfs/dbraw/zinc/24/91/78/1372249178.db2.gz MVJZPNGDQFJMII-FQEVSTJZSA-N 1 0 337.467 3.248 20 10 EGCDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001217987221 1373527443 /nfs/dbraw/zinc/52/74/43/1373527443.db2.gz MHRFPOZLCCIRCW-DYVFJYSZSA-N 1 0 341.407 3.096 20 10 EGCDRO O=C1C=CC=CC1=NNc1ccccc1O[C@@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001218104640 1373561923 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Cc1ncsc1CN1CC2(C1)C[NH+](Cc1c(C)cc(C)cc1O)C2 ZINC001276366082 1378173599 /nfs/dbraw/zinc/17/35/99/1378173599.db2.gz YYLNKVROJYSXMK-UHFFFAOYSA-N 1 0 343.496 3.092 20 10 EGCDRO Oc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)cc1Cl ZINC001276618050 1378180965 /nfs/dbraw/zinc/18/09/65/1378180965.db2.gz XKCRCSRCTSNAMQ-HOTGVXAUSA-N 1 0 336.863 3.342 20 10 EGCDRO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3Cl)C2)o1 ZINC001140926934 1378183267 /nfs/dbraw/zinc/18/32/67/1378183267.db2.gz ZUMLIJBLOQCCMK-CQSZACIVSA-N 1 0 334.851 3.477 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001140947775 1378188429 /nfs/dbraw/zinc/18/84/29/1378188429.db2.gz FMDXZYDQYXZRFL-HOTGVXAUSA-N 1 0 332.444 3.142 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001140947703 1378188435 /nfs/dbraw/zinc/18/84/35/1378188435.db2.gz BJSCGEOSIMILPK-UHFFFAOYSA-N 1 0 332.444 3.143 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001140947701 1378188697 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CN1CCOc2cc(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)ccc21 ZINC001141146121 1378248376 /nfs/dbraw/zinc/24/83/76/1378248376.db2.gz LHHXIODTTJKWCQ-SFHVURJKSA-N 1 0 342.414 3.308 20 10 EGCDRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156348 1378253758 /nfs/dbraw/zinc/25/37/58/1378253758.db2.gz KEKRWZFSDULGEP-UHFFFAOYSA-N 1 0 329.371 3.332 20 10 EGCDRO COc1ccc([C@H]2CSCC[N@@H+]2Cc2cc(O)ccc2O)cc1 ZINC001141159664 1378254067 /nfs/dbraw/zinc/25/40/67/1378254067.db2.gz JAGYVCKZEPZBIE-QGZVFWFLSA-N 1 0 331.437 3.397 20 10 EGCDRO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141161960 1378254815 /nfs/dbraw/zinc/25/48/15/1378254815.db2.gz IMDOYKGVGYPALR-HNNXBMFYSA-N 1 0 333.428 3.043 20 10 EGCDRO C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162811 1378255534 /nfs/dbraw/zinc/25/55/34/1378255534.db2.gz FVUZAPAFTGJSFM-CQSZACIVSA-N 1 0 330.403 3.116 20 10 EGCDRO [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001141375146 1378313041 /nfs/dbraw/zinc/31/30/41/1378313041.db2.gz XMADRXGNGKHIMK-RTCCRHLQSA-N 1 0 334.616 3.455 20 10 EGCDRO CCOC(=O)NC1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143117228 1378543290 /nfs/dbraw/zinc/54/32/90/1378543290.db2.gz YHCQLUOBGKOUNZ-UHFFFAOYSA-N 1 0 334.460 3.400 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(O)c1 ZINC001144500690 1378738626 /nfs/dbraw/zinc/73/86/26/1378738626.db2.gz ZDKASZPGSJTNRE-FQEVSTJZSA-N 1 0 336.391 3.210 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2c[nH]cc2C)cc1C ZINC001146386599 1378832995 /nfs/dbraw/zinc/83/29/95/1378832995.db2.gz WFFHJRSSPSRWFZ-HOTGVXAUSA-N 1 0 343.471 3.327 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCCC[C@H]2C)cc1C ZINC001153252015 1380045051 /nfs/dbraw/zinc/04/50/51/1380045051.db2.gz DTQQMVVHSRUNNY-CRAIPNDOSA-N 1 0 332.488 3.426 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001157435451 1380892461 /nfs/dbraw/zinc/89/24/61/1380892461.db2.gz SQCJLYSLJLIMPJ-IYOUNJFTSA-N 1 0 330.472 3.137 20 10 EGCDRO Nc1ccc(OCCCOc2ccc(NC3=CCC[NH2+]C3)cc2)cc1 ZINC001159630484 1381853839 /nfs/dbraw/zinc/85/38/39/1381853839.db2.gz XUOIASWPCDHPQZ-UHFFFAOYSA-N 1 0 339.439 3.406 20 10 EGCDRO Oc1cc2ccccc2cc1CNc1nccc(C2CC[NH2+]CC2)n1 ZINC001160206185 1382033522 /nfs/dbraw/zinc/03/35/22/1382033522.db2.gz GTGJCSRVDHMMRO-UHFFFAOYSA-N 1 0 334.423 3.415 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)cc1 ZINC001163088290 1382961754 /nfs/dbraw/zinc/96/17/54/1382961754.db2.gz CBEJQFQNNWQFOR-KRWDZBQOSA-N 1 0 325.456 3.275 20 10 EGCDRO CC(C)c1cc(OCc2ccccc2)ccc1N(CC[NH3+])CCO ZINC001163839622 1383127843 /nfs/dbraw/zinc/12/78/43/1383127843.db2.gz PJPNBYLOSUUGFG-UHFFFAOYSA-N 1 0 328.456 3.146 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001328770772 1388853878 /nfs/dbraw/zinc/85/38/78/1388853878.db2.gz JMUULQXGFQPJCJ-HNNXBMFYSA-N 1 0 333.476 3.010 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CCN(c2cccc(N(C)C)[nH+]2)C1 ZINC001166815993 1383482217 /nfs/dbraw/zinc/48/22/17/1383482217.db2.gz OUXIMZKWTAJIMO-UHFFFAOYSA-N 1 0 336.439 3.211 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC34CC4)CC2)cc1C ZINC001167326491 1383598724 /nfs/dbraw/zinc/59/87/24/1383598724.db2.gz WFOMRFHSDJOLCX-KRWDZBQOSA-N 1 0 342.483 3.180 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccnc(OC(F)F)c3)cc2)CC1 ZINC001167434518 1383632811 /nfs/dbraw/zinc/63/28/11/1383632811.db2.gz NTUGAODHUXZWQH-UHFFFAOYSA-N 1 0 348.397 3.047 20 10 EGCDRO Cc1nc(-c2cccnc2)cc(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001168544106 1383933198 /nfs/dbraw/zinc/93/31/98/1383933198.db2.gz NOEURSNEADGWFG-INIZCTEOSA-N 1 0 331.423 3.431 20 10 EGCDRO CC1(C)Cc2cc(N3C[C@@H](CC[NH3+])c4ccccc43)ccc2C(=O)N1 ZINC001168555625 1383935820 /nfs/dbraw/zinc/93/58/20/1383935820.db2.gz PAFCCGRLTRANCD-CQSZACIVSA-N 1 0 335.451 3.335 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])cc1 ZINC001170278528 1384281434 /nfs/dbraw/zinc/28/14/34/1384281434.db2.gz XJDBMJXFYAIJBD-AQNXPRMDSA-N 1 0 343.471 3.231 20 10 EGCDRO COc1ccc(N2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)c(OC)c1 ZINC001170764575 1384381979 /nfs/dbraw/zinc/38/19/79/1384381979.db2.gz JPMYVWAEEDHTSB-ACHSLPGTSA-N 1 0 330.472 3.260 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)C2CCCC2)cc1C ZINC001170770652 1384383599 /nfs/dbraw/zinc/38/35/99/1384383599.db2.gz DOGBAHRAZRTQGC-INIZCTEOSA-N 1 0 332.488 3.426 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172008607 1384708773 /nfs/dbraw/zinc/70/87/73/1384708773.db2.gz RMXCLSIRXUXYPW-XOBRGWDASA-N 1 0 342.483 3.375 20 10 EGCDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172860832 1384867679 /nfs/dbraw/zinc/86/76/79/1384867679.db2.gz HGJXDVOLHDWFGK-JTQLQIEISA-N 1 0 339.794 3.359 20 10 EGCDRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CO2 ZINC001173144677 1384923762 /nfs/dbraw/zinc/92/37/62/1384923762.db2.gz MUXYQTKJXOAMOB-QGZVFWFLSA-N 1 0 338.451 3.389 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ncccc2C)cc1C ZINC001317389700 1385110066 /nfs/dbraw/zinc/11/00/66/1385110066.db2.gz MHITVRIRFZBMPZ-INIZCTEOSA-N 1 0 341.455 3.005 20 10 EGCDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001175085202 1385192203 /nfs/dbraw/zinc/19/22/03/1385192203.db2.gz NBCZXZGIPKIVCX-UHFFFAOYSA-N 1 0 340.467 3.476 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)CCc2ccccc2)cc1F ZINC001329157367 1388994802 /nfs/dbraw/zinc/99/48/02/1388994802.db2.gz WLPWJIHZJXMXQU-MRXNPFEDSA-N 1 0 334.410 3.114 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H](C)C1 ZINC001318565816 1385759477 /nfs/dbraw/zinc/75/94/77/1385759477.db2.gz CSTFTKNXONHMDV-MDZRGWNJSA-N 1 0 333.495 3.492 20 10 EGCDRO CC/C=C(\C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178258412 1386175369 /nfs/dbraw/zinc/17/53/69/1386175369.db2.gz UJCKYSJIXRZKGX-UJQWRIEFSA-N 1 0 330.472 3.439 20 10 EGCDRO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319691194 1386254006 /nfs/dbraw/zinc/25/40/06/1386254006.db2.gz MAQXCFJFHCTPAQ-OAHLLOKOSA-N 1 0 331.435 3.364 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1F ZINC001319948879 1386411922 /nfs/dbraw/zinc/41/19/22/1386411922.db2.gz XBTFIVYOSLSHLI-MRXNPFEDSA-N 1 0 347.478 3.163 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cc2F)CC1 ZINC001337380915 1389325703 /nfs/dbraw/zinc/32/57/03/1389325703.db2.gz LOOPTLGXNSASDI-GOSISDBHSA-N 1 0 349.494 3.013 20 10 EGCDRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001338005203 1389513411 /nfs/dbraw/zinc/51/34/11/1389513411.db2.gz ORMVAKXKTVVDMD-HYBUGGRVSA-N 1 0 342.508 3.496 20 10 EGCDRO Cc1cc(Cn2cc(C[NH2+]CC3CC3)nn2)ccc1N1CCCCC1 ZINC001330800112 1389531608 /nfs/dbraw/zinc/53/16/08/1389531608.db2.gz NNVXHTAXHORYDR-UHFFFAOYSA-N 1 0 339.487 3.125 20 10 EGCDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001331706674 1389858787 /nfs/dbraw/zinc/85/87/87/1389858787.db2.gz IDCVUPOYRUUJKV-MJGOQNOKSA-N 1 0 334.529 3.364 20 10 EGCDRO CSCC[C@H]([NH3+])CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001340090062 1390223420 /nfs/dbraw/zinc/22/34/20/1390223420.db2.gz KHQZPFUMWKQABP-KRWDZBQOSA-N 1 0 349.544 3.010 20 10 EGCDRO Cc1cc(C)cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001333309660 1390281483 /nfs/dbraw/zinc/28/14/83/1390281483.db2.gz BTPXQMWZSYYYDT-UHFFFAOYSA-N 1 0 341.474 3.484 20 10 EGCDRO COc1ccc(C[NH+]2CCC(c3ccncc3)CC2)c(O)c1OC ZINC001335533802 1390700462 /nfs/dbraw/zinc/70/04/62/1390700462.db2.gz NZBQKSNLSVFFAC-UHFFFAOYSA-N 1 0 328.412 3.184 20 10 EGCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001343286396 1390705008 /nfs/dbraw/zinc/70/50/08/1390705008.db2.gz SDTNQOUCLXRVNE-GOSISDBHSA-N 1 0 329.488 3.168 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001345159813 1390842183 /nfs/dbraw/zinc/84/21/83/1390842183.db2.gz MZCFZBOYZNBKSQ-GDBMZVCRSA-N 1 0 333.476 3.252 20 10 EGCDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001348447485 1391221009 /nfs/dbraw/zinc/22/10/09/1391221009.db2.gz QDKJGHKUUJZJRM-NVXWUHKLSA-N 1 0 341.421 3.246 20 10 EGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC001353933721 1392109101 /nfs/dbraw/zinc/10/91/01/1392109101.db2.gz YGVOGWYXAQADSJ-FOGDFJRCSA-N 1 0 342.233 3.147 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)/C=C\C(C)(C)C)cc1C ZINC001753608195 1440448371 /nfs/dbraw/zinc/44/83/71/1440448371.db2.gz ZNUQPLYGTWTKHO-KVPUOBJLSA-N 1 0 332.488 3.448 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2occc2C)cc1C ZINC001753998956 1440529964 /nfs/dbraw/zinc/52/99/64/1440529964.db2.gz XKMGDSCYAOODHB-MRXNPFEDSA-N 1 0 344.455 3.132 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001754181688 1440548184 /nfs/dbraw/zinc/54/81/84/1440548184.db2.gz MNKYSHPYCCRDDM-CZHQAMEJSA-N 1 0 342.483 3.202 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](F)C(C)C)CCC2)cc1C ZINC001754985225 1440722498 /nfs/dbraw/zinc/72/24/98/1440722498.db2.gz LQVYBCJRIGUMNX-KRWDZBQOSA-N 1 0 336.451 3.126 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cccnc2)cc1C ZINC001755488403 1440861167 /nfs/dbraw/zinc/86/11/67/1440861167.db2.gz PXIITWIJLSNPAE-INIZCTEOSA-N 1 0 341.455 3.087 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001755597003 1440883026 /nfs/dbraw/zinc/88/30/26/1440883026.db2.gz PVBXYVPZPWQFLD-WRWLIDTKSA-N 1 0 330.472 3.130 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1 ZINC000835074944 1126111380 /nfs/dbraw/zinc/11/13/80/1126111380.db2.gz VMCUDIIJPQHQCQ-SFHVURJKSA-N 1 0 329.440 3.101 20 10 EGCDRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921750222 1126134035 /nfs/dbraw/zinc/13/40/35/1126134035.db2.gz OZQUQDSVXJYHCX-SFHVURJKSA-N 1 0 336.435 3.186 20 10 EGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001334902361 1126179848 /nfs/dbraw/zinc/17/98/48/1126179848.db2.gz MLJCWACTUBGLGN-MRXNPFEDSA-N 1 0 334.410 3.032 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc2ccccc2c1O ZINC000297439779 202110796 /nfs/dbraw/zinc/11/07/96/202110796.db2.gz VZLGSKBFIIKPKK-RDJZCZTQSA-N 1 0 328.456 3.043 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)ccn1 ZINC000181010158 455275762 /nfs/dbraw/zinc/27/57/62/455275762.db2.gz OVGLKCCOKBMEHV-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000011193254 453311672 /nfs/dbraw/zinc/31/16/72/453311672.db2.gz UPYYLUKXVYEUHG-UHFFFAOYSA-N 1 0 337.467 3.408 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000066698672 453864334 /nfs/dbraw/zinc/86/43/34/453864334.db2.gz RPXAJTVWMBTHRM-UHFFFAOYSA-N 1 0 347.503 3.434 20 10 EGCDRO Oc1ccccc1C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000068980383 454070061 /nfs/dbraw/zinc/07/00/61/454070061.db2.gz PIBJMGNNFBQDHQ-UHFFFAOYSA-N 1 0 329.787 3.428 20 10 EGCDRO Cc1cc(=O)oc2cc(OCC[N@@H+](C)Cc3ccccc3O)ccc12 ZINC000077284301 454086046 /nfs/dbraw/zinc/08/60/46/454086046.db2.gz IWQSZZXZSJKKAO-UHFFFAOYSA-N 1 0 339.391 3.318 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000089730598 454184923 /nfs/dbraw/zinc/18/49/23/454184923.db2.gz MDARCYFMBYVWTK-OAHLLOKOSA-N 1 0 342.439 3.155 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H](O)c1c(F)cccc1F ZINC000266295859 455425790 /nfs/dbraw/zinc/42/57/90/455425790.db2.gz LDTCAXSAGSNLQW-KSSFIOAISA-N 1 0 337.366 3.281 20 10 EGCDRO COc1cccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)c1O ZINC000120103524 454258098 /nfs/dbraw/zinc/25/80/98/454258098.db2.gz VHKFPAWRSRIWKT-UHFFFAOYSA-N 1 0 331.412 3.358 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000091949563 454492547 /nfs/dbraw/zinc/49/25/47/454492547.db2.gz PAAVOVDRFOFBOG-INIZCTEOSA-N 1 0 330.472 3.171 20 10 EGCDRO COc1cccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1O ZINC000093389217 454711444 /nfs/dbraw/zinc/71/14/44/454711444.db2.gz IYAJFXRUPZJQKS-GOSISDBHSA-N 1 0 327.424 3.273 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1C ZINC000093532103 454719181 /nfs/dbraw/zinc/71/91/81/454719181.db2.gz VWPYFFZJZOWJGK-UHFFFAOYSA-N 1 0 330.472 3.234 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000093712247 454730145 /nfs/dbraw/zinc/73/01/45/454730145.db2.gz DOPPBWGSWXKKEK-HSZRJFAPSA-N 1 0 333.453 3.160 20 10 EGCDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093889865 454744604 /nfs/dbraw/zinc/74/46/04/454744604.db2.gz VRGUJPIYPHATAL-YYUOZPCZSA-N 1 0 347.436 3.051 20 10 EGCDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000162041260 454747986 /nfs/dbraw/zinc/74/79/86/454747986.db2.gz CIUMAJQQOUGLBM-UVDFWXMISA-N 1 0 348.462 3.126 20 10 EGCDRO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769643 454835186 /nfs/dbraw/zinc/83/51/86/454835186.db2.gz NWVJVQJHWIHZLD-CABCVRRESA-N 1 0 342.439 3.099 20 10 EGCDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770569 454835448 /nfs/dbraw/zinc/83/54/48/454835448.db2.gz VNTPKWONUGBOFC-AWEZNQCLSA-N 1 0 330.403 3.183 20 10 EGCDRO CC(C)COCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163290288 454836399 /nfs/dbraw/zinc/83/63/99/454836399.db2.gz VLONNHVUWMNGCK-INIZCTEOSA-N 1 0 338.467 3.376 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000111403543 454863888 /nfs/dbraw/zinc/86/38/88/454863888.db2.gz QOPYXGDAVLGBMD-UHFFFAOYSA-N 1 0 338.879 3.170 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1[O-] ZINC000185054946 455493106 /nfs/dbraw/zinc/49/31/06/455493106.db2.gz OJVDHAGPDDTMRF-AWEZNQCLSA-N 1 0 332.419 3.323 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1 ZINC000113359110 454923964 /nfs/dbraw/zinc/92/39/64/454923964.db2.gz INGPJDGBKZLMRJ-UHFFFAOYSA-N 1 0 326.419 3.111 20 10 EGCDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(N(C)C)cc1 ZINC000178525370 454959395 /nfs/dbraw/zinc/95/93/95/454959395.db2.gz FYOXTINNCPMPSU-MRXNPFEDSA-N 1 0 341.503 3.354 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(O)c1 ZINC000151375839 454976387 /nfs/dbraw/zinc/97/63/87/454976387.db2.gz MKNPIUHSGWRTAQ-YJBOKZPZSA-N 1 0 337.485 3.325 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000170899623 454996768 /nfs/dbraw/zinc/99/67/68/454996768.db2.gz JIZGAHWIVHSPRD-UHFFFAOYSA-N 1 0 346.519 3.064 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccccc1O ZINC000155705460 455033975 /nfs/dbraw/zinc/03/39/75/455033975.db2.gz CFTCXALYOWXTJY-PXAZEXFGSA-N 1 0 337.366 3.151 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000179902086 455095826 /nfs/dbraw/zinc/09/58/26/455095826.db2.gz SCIBDKXRGORYKP-BBRMVZONSA-N 1 0 328.387 3.378 20 10 EGCDRO CC[NH+](CC)[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000152516395 455131006 /nfs/dbraw/zinc/13/10/06/455131006.db2.gz FWXGTCDCQURHPY-LJQANCHMSA-N 1 0 325.456 3.011 20 10 EGCDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(-c3ccccc3)ccc1O)CC2 ZINC000263997856 455180176 /nfs/dbraw/zinc/18/01/76/455180176.db2.gz FWYRGHGZOOHAJG-SFHVURJKSA-N 1 0 334.423 3.064 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccccc1O ZINC000183446109 455293526 /nfs/dbraw/zinc/29/35/26/455293526.db2.gz KKEFWDBLNSKLFN-SJORKVTESA-N 1 0 340.467 3.464 20 10 EGCDRO CC[NH+]1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000265433716 455324417 /nfs/dbraw/zinc/32/44/17/455324417.db2.gz NPJUOVNSOPJNFO-UHFFFAOYSA-N 1 0 346.519 3.157 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(Br)cc1O ZINC000184913231 455471326 /nfs/dbraw/zinc/47/13/26/455471326.db2.gz PTESCXVSFSUDHO-LLVKDONJSA-N 1 0 339.277 3.432 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(F)ccc1O ZINC000184967559 455479705 /nfs/dbraw/zinc/47/97/05/455479705.db2.gz PMGIKLLLHIECGI-GFCCVEGCSA-N 1 0 332.375 3.080 20 10 EGCDRO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(Br)cc1O ZINC000185475808 455563232 /nfs/dbraw/zinc/56/32/32/455563232.db2.gz SXAJDTYYMFHAEJ-OVWNDWIMSA-N 1 0 348.306 3.353 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000283960248 455616261 /nfs/dbraw/zinc/61/62/61/455616261.db2.gz KPMQMUIAXZMIGC-LJQANCHMSA-N 1 0 344.455 3.192 20 10 EGCDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185826091 455629754 /nfs/dbraw/zinc/62/97/54/455629754.db2.gz KXERVTHKBNUHJW-SCLBCKFNSA-N 1 0 331.412 3.184 20 10 EGCDRO C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271462011 455646345 /nfs/dbraw/zinc/64/63/45/455646345.db2.gz HOMKMBOREGHPOY-HNNXBMFYSA-N 1 0 336.451 3.130 20 10 EGCDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000186013922 455674957 /nfs/dbraw/zinc/67/49/57/455674957.db2.gz FDEDBPXXOVADPF-GFCCVEGCSA-N 1 0 334.366 3.141 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 ZINC000186081613 455689750 /nfs/dbraw/zinc/68/97/50/455689750.db2.gz HTQGJYYFPNTRHE-DEYYWGMASA-N 1 0 340.423 3.245 20 10 EGCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000268478036 455693874 /nfs/dbraw/zinc/69/38/74/455693874.db2.gz ISGDGOIKDDNGDC-UHFFFAOYSA-N 1 0 332.419 3.232 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000186191310 455712891 /nfs/dbraw/zinc/71/28/91/455712891.db2.gz JIKZDVXRFJYTHM-GDBMZVCRSA-N 1 0 342.414 3.231 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000271684434 455721767 /nfs/dbraw/zinc/72/17/67/455721767.db2.gz JATLQLUFGVGTJS-NSHDSACASA-N 1 0 332.356 3.168 20 10 EGCDRO Cc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1O ZINC000292694162 455733709 /nfs/dbraw/zinc/73/37/09/455733709.db2.gz BQBUZDIOTUAGSG-UHFFFAOYSA-N 1 0 328.387 3.103 20 10 EGCDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000271754158 455747763 /nfs/dbraw/zinc/74/77/63/455747763.db2.gz WRWGLPFORUJDCX-AWEZNQCLSA-N 1 0 345.439 3.481 20 10 EGCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000271775310 455754272 /nfs/dbraw/zinc/75/42/72/455754272.db2.gz CMFKAJPLJFZYJI-BFUOFWGJSA-N 1 0 331.412 3.275 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Br)cc(C)c2O)o1 ZINC000271795396 455763202 /nfs/dbraw/zinc/76/32/02/455763202.db2.gz HRSQQLHTJLYPPI-ZDUSSCGKSA-N 1 0 340.217 3.188 20 10 EGCDRO Cc1cc(C[NH2+]Cc2c(O)cccc2Cl)nc(N2CCCC2)n1 ZINC000292882765 455765008 /nfs/dbraw/zinc/76/50/08/455765008.db2.gz XZVKQTBXWVFDRN-UHFFFAOYSA-N 1 0 332.835 3.034 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000293438440 455786977 /nfs/dbraw/zinc/78/69/77/455786977.db2.gz OSGULOQFCVDFAA-OAHLLOKOSA-N 1 0 325.456 3.305 20 10 EGCDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000285175953 455800045 /nfs/dbraw/zinc/80/00/45/455800045.db2.gz NBRWNZNKGHBDIJ-OAHLLOKOSA-N 1 0 342.439 3.098 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1O ZINC000186594587 455801475 /nfs/dbraw/zinc/80/14/75/455801475.db2.gz ZYVAYYHGARBJCV-UHFFFAOYSA-N 1 0 329.415 3.409 20 10 EGCDRO CC(C)C(=O)NCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294677044 455823842 /nfs/dbraw/zinc/82/38/42/455823842.db2.gz DVQAZMSDZQLZTD-UHFFFAOYSA-N 1 0 345.512 3.246 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC1(C)C ZINC000294939618 455832970 /nfs/dbraw/zinc/83/29/70/455832970.db2.gz GVYQIXIIZIHHBA-AWEZNQCLSA-N 1 0 328.250 3.402 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000295070029 455837900 /nfs/dbraw/zinc/83/79/00/455837900.db2.gz WFTDSXCMDPNRPZ-NQIIRXRSSA-N 1 0 346.515 3.285 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)c2ccc(F)cc2)c1O ZINC000295207051 455841948 /nfs/dbraw/zinc/84/19/48/455841948.db2.gz ZMRBAOKNOYDOQM-CQSZACIVSA-N 1 0 325.767 3.017 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1O ZINC000295207050 455842133 /nfs/dbraw/zinc/84/21/33/455842133.db2.gz ZMRBAOKNOYDOQM-AWEZNQCLSA-N 1 0 325.767 3.017 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(NC(C)=O)nc2)cc1 ZINC000279081541 455857977 /nfs/dbraw/zinc/85/79/77/455857977.db2.gz MSKODEWROOQKBR-AWEZNQCLSA-N 1 0 326.444 3.347 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)c(=O)n1C ZINC000279522401 455866549 /nfs/dbraw/zinc/86/65/49/455866549.db2.gz OKINDPYXGQNQEZ-CQSZACIVSA-N 1 0 326.440 3.129 20 10 EGCDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000279664577 455870551 /nfs/dbraw/zinc/87/05/51/455870551.db2.gz DUDSWRGGLXGGFF-LAUBAEHRSA-N 1 0 340.467 3.389 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)Cn1ccnc1 ZINC000279898261 455876426 /nfs/dbraw/zinc/87/64/26/455876426.db2.gz LAYGMLBYBNUVHE-ZDUSSCGKSA-N 1 0 340.393 3.394 20 10 EGCDRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1cc(Cl)ccc1O ZINC000285662467 455892160 /nfs/dbraw/zinc/89/21/60/455892160.db2.gz MKRYWAYCDCGGIG-VIFPVBQESA-N 1 0 344.640 3.355 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000270208057 455902581 /nfs/dbraw/zinc/90/25/81/455902581.db2.gz ZTZCXMFNPTWWSD-ZLOXQWCVSA-N 1 0 333.453 3.379 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)c1O ZINC000296369676 455921236 /nfs/dbraw/zinc/92/12/36/455921236.db2.gz JDKAMTYIUREHFY-WZRBSPASSA-N 1 0 328.250 3.275 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000270325476 455929040 /nfs/dbraw/zinc/92/90/40/455929040.db2.gz LUNQEAHRTRSLCL-QGZVFWFLSA-N 1 0 329.488 3.025 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1O ZINC000187653668 455934848 /nfs/dbraw/zinc/93/48/48/455934848.db2.gz AUWDQACHUGUTET-UHFFFAOYSA-N 1 0 331.334 3.134 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000286001773 455958504 /nfs/dbraw/zinc/95/85/04/455958504.db2.gz ISCFXTOEDSKADF-LBPRGKRZSA-N 1 0 343.402 3.073 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C(F)(F)F ZINC000270478208 455964458 /nfs/dbraw/zinc/96/44/58/455964458.db2.gz JALOLZGJTWFNTG-INIZCTEOSA-N 1 0 325.330 3.462 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1 ZINC000280487484 455980707 /nfs/dbraw/zinc/98/07/07/455980707.db2.gz ONGLPXBDCVTQKL-KRWDZBQOSA-N 1 0 332.488 3.303 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](COc3ccccc3)C1)OCO2 ZINC000272550539 455990395 /nfs/dbraw/zinc/99/03/95/455990395.db2.gz TWQXQSMUBDOBIT-CQSZACIVSA-N 1 0 327.380 3.022 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000286256240 456010274 /nfs/dbraw/zinc/01/02/74/456010274.db2.gz UPQSZCXOIZYVAP-HNNXBMFYSA-N 1 0 340.471 3.390 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2([S@](C)=O)CC2)cc1 ZINC000296700420 456014368 /nfs/dbraw/zinc/01/43/68/456014368.db2.gz IEHLOUMUVOTJRW-QHCPKHFHSA-N 1 0 348.537 3.385 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccccn1 ZINC000270903357 456063139 /nfs/dbraw/zinc/06/31/39/456063139.db2.gz JYROHSZYJKQRBK-MRXNPFEDSA-N 1 0 325.456 3.141 20 10 EGCDRO FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000287599402 456073359 /nfs/dbraw/zinc/07/33/59/456073359.db2.gz INQIZORHBDYKPT-ZBFHGGJFSA-N 1 0 328.378 3.486 20 10 EGCDRO CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287598066 456073758 /nfs/dbraw/zinc/07/37/58/456073758.db2.gz IMOQRPVSJPPABS-KRWDZBQOSA-N 1 0 339.911 3.114 20 10 EGCDRO CC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000271012014 456097877 /nfs/dbraw/zinc/09/78/77/456097877.db2.gz PNAVCEJOJRMUEL-GOSISDBHSA-N 1 0 345.464 3.068 20 10 EGCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271096742 456124584 /nfs/dbraw/zinc/12/45/84/456124584.db2.gz ZLIHKNVUFZMNJN-UHFFFAOYSA-N 1 0 335.467 3.020 20 10 EGCDRO CCCN(Cc1ncc(C2OCCO2)s1)c1ccc(C[NH3+])cc1 ZINC000289643607 456134671 /nfs/dbraw/zinc/13/46/71/456134671.db2.gz LEWWULIJTQIQEN-UHFFFAOYSA-N 1 0 333.457 3.064 20 10 EGCDRO OC[C@]1(F)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000289736798 456139217 /nfs/dbraw/zinc/13/92/17/456139217.db2.gz IFUFWRRTBINMEX-FQEVSTJZSA-N 1 0 345.414 3.268 20 10 EGCDRO COCCOCc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000289731892 456139545 /nfs/dbraw/zinc/13/95/45/456139545.db2.gz MRTHOKZDXWYMHK-UHFFFAOYSA-N 1 0 327.424 3.074 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297252524 456162968 /nfs/dbraw/zinc/16/29/68/456162968.db2.gz JKMWXVGFBBDQDN-ZWKOTPCHSA-N 1 0 326.440 3.281 20 10 EGCDRO Oc1ccccc1C[N@H+](CC[C@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000289882677 456166818 /nfs/dbraw/zinc/16/68/18/456166818.db2.gz MDQGYJRFQOILHX-CTNGQTDRSA-N 1 0 341.451 3.497 20 10 EGCDRO COC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000297402840 456211185 /nfs/dbraw/zinc/21/11/85/456211185.db2.gz SPJTYPQEQMQONV-HNNXBMFYSA-N 1 0 336.451 3.272 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273363777 456224881 /nfs/dbraw/zinc/22/48/81/456224881.db2.gz DPLCVRZCPHVLCB-DZGCQCFKSA-N 1 0 333.403 3.042 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2O)o1 ZINC000273622712 456242252 /nfs/dbraw/zinc/24/22/52/456242252.db2.gz ZLQFHUOHDZXEJP-QMTHXVAHSA-N 1 0 340.217 3.440 20 10 EGCDRO COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000290192029 456263355 /nfs/dbraw/zinc/26/33/55/456263355.db2.gz OJKLOZYFDKUTFQ-VLIAUNLRSA-N 1 0 345.439 3.054 20 10 EGCDRO CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(Br)ccc1O ZINC000274755636 456264759 /nfs/dbraw/zinc/26/47/59/456264759.db2.gz ITSWASMENTZEKY-OAHLLOKOSA-N 1 0 339.277 3.457 20 10 EGCDRO COc1cccc(CN(Cc2ccco2)C2CC[NH+](C)CC2)c1O ZINC000290334024 456295205 /nfs/dbraw/zinc/29/52/05/456295205.db2.gz DXPBKCATBGAJMM-UHFFFAOYSA-N 1 0 330.428 3.090 20 10 EGCDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290336968 456297832 /nfs/dbraw/zinc/29/78/32/456297832.db2.gz FDGJGYSESHJFLO-AWEZNQCLSA-N 1 0 331.372 3.287 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000276205657 456413694 /nfs/dbraw/zinc/41/36/94/456413694.db2.gz OBSDFISJFSCAMR-QGZVFWFLSA-N 1 0 346.471 3.204 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1O ZINC000282364174 456490879 /nfs/dbraw/zinc/49/08/79/456490879.db2.gz HXCCFRKBTQYYAH-GOEBONIOSA-N 1 0 325.412 3.349 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000282461926 456521875 /nfs/dbraw/zinc/52/18/75/456521875.db2.gz NADZHOIWFOPWQY-AWEZNQCLSA-N 1 0 331.416 3.318 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000291358300 456619057 /nfs/dbraw/zinc/61/90/57/456619057.db2.gz XZLWDCNEKFROSK-LJQANCHMSA-N 1 0 347.842 3.190 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000283587001 456807522 /nfs/dbraw/zinc/80/75/22/456807522.db2.gz KBUNBJNRLSBROD-INIZCTEOSA-N 1 0 345.487 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FCWSBOWCIGYENK-UHFFFAOYSA-N 1 0 332.488 3.134 20 10 EGCDRO CC(C)(CN1CCCC1)[NH2+]Cc1ccc(Br)cc1O ZINC000691395988 1298134032 /nfs/dbraw/zinc/13/40/32/1298134032.db2.gz PPYAPYSQWPMAKB-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(C)cc1O ZINC000794804529 1309599145 /nfs/dbraw/zinc/59/91/45/1309599145.db2.gz UQURUAGNSRYDTK-MAUKXSAKSA-N 1 0 333.403 3.320 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1O ZINC000079434715 1292558062 /nfs/dbraw/zinc/55/80/62/1292558062.db2.gz MPKQDCGIMXEEFM-IBGZPJMESA-N 1 0 343.398 3.216 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)ccc1N1CCCCC1 ZINC000829336890 1292563558 /nfs/dbraw/zinc/56/35/58/1292563558.db2.gz ULQFXJGGQBVVTL-WIYYLYMNSA-N 1 0 344.499 3.365 20 10 EGCDRO Cc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)ccc1N1CCCCC1 ZINC000829376910 1292568424 /nfs/dbraw/zinc/56/84/24/1292568424.db2.gz PCUFVJGGGIUPSN-GHTZIAJQSA-N 1 0 344.499 3.365 20 10 EGCDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 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FNAILVIYQFZLEN-QGZVFWFLSA-N 1 0 331.847 3.144 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000103506833 1293008465 /nfs/dbraw/zinc/00/84/65/1293008465.db2.gz BHVCFSQFFVDPRV-AWEZNQCLSA-N 1 0 349.475 3.026 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000105318979 1293032084 /nfs/dbraw/zinc/03/20/84/1293032084.db2.gz ARPIBADLWHKWQV-OAHLLOKOSA-N 1 0 343.496 3.370 20 10 EGCDRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)ccc1OCCO ZINC000834530695 1293111923 /nfs/dbraw/zinc/11/19/23/1293111923.db2.gz JKNUZWBWIUGJHV-CJNGLKHVSA-N 1 0 343.423 3.110 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]CC1(CN3CCOCC3)CCCCC1)CC2 ZINC000834615237 1293123034 /nfs/dbraw/zinc/12/30/34/1293123034.db2.gz CBPUCSOUQOSQRN-GOSISDBHSA-N 1 0 344.499 3.252 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)CC2 ZINC000834681043 1293132361 /nfs/dbraw/zinc/13/23/61/1293132361.db2.gz UQWVJWSXKBBBIW-CYBMUJFWSA-N 1 0 338.329 3.462 20 10 EGCDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000113316778 1293146668 /nfs/dbraw/zinc/14/66/68/1293146668.db2.gz OZWMWBZRXQUASU-BETUJISGSA-N 1 0 326.868 3.023 20 10 EGCDRO O=C(/C=C\c1ccccc1)NCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834793491 1293149671 /nfs/dbraw/zinc/14/96/71/1293149671.db2.gz AGERUBVGXQFSKA-ADYSOMBNSA-N 1 0 336.435 3.189 20 10 EGCDRO Cc1ccncc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834886340 1293163736 /nfs/dbraw/zinc/16/37/36/1293163736.db2.gz CGJAUPQQBSIHGA-OAHLLOKOSA-N 1 0 329.419 3.217 20 10 EGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000834895678 1293167718 /nfs/dbraw/zinc/16/77/18/1293167718.db2.gz CQMPYQYVKWVKOP-MNOVXSKESA-N 1 0 338.249 3.170 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2(CO)CC2)c1O ZINC000834897553 1293168552 /nfs/dbraw/zinc/16/85/52/1293168552.db2.gz TYIOSZMNOZNFGB-LLVKDONJSA-N 1 0 328.250 3.276 20 10 EGCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@@H]1n1cccn1 ZINC000834902303 1293170136 /nfs/dbraw/zinc/17/01/36/1293170136.db2.gz GPUTZZRJUNSCRR-GFIVTLFCSA-N 1 0 341.455 3.363 20 10 EGCDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000834904905 1293170999 /nfs/dbraw/zinc/17/09/99/1293170999.db2.gz QMEVDYMIANYPHA-LPMFXHHGSA-N 1 0 336.451 3.126 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000835060536 1293195652 /nfs/dbraw/zinc/19/56/52/1293195652.db2.gz MLZMFKATOBAQKY-IBGZPJMESA-N 1 0 343.496 3.143 20 10 EGCDRO Cn1ccc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000124803560 1293486340 /nfs/dbraw/zinc/48/63/40/1293486340.db2.gz GGQQDOOHFBLJCG-UHFFFAOYSA-N 1 0 335.398 3.385 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1O ZINC000125397257 1293505890 /nfs/dbraw/zinc/50/58/90/1293505890.db2.gz KHSVXXBCVJFQMX-UHFFFAOYSA-N 1 0 330.403 3.171 20 10 EGCDRO COc1cc(NCC[NH2+]Cc2c(O)cccc2Cl)cc(OC)c1 ZINC000126032941 1293522790 /nfs/dbraw/zinc/52/27/90/1293522790.db2.gz VNKUNXWAJVFEBV-UHFFFAOYSA-N 1 0 336.819 3.265 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3cccs3)CC2)c1O ZINC000126342957 1293532138 /nfs/dbraw/zinc/53/21/38/1293532138.db2.gz VABBQWREYUTAMY-UHFFFAOYSA-N 1 0 332.469 3.089 20 10 EGCDRO Cc1nc(CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000128381110 1293591494 /nfs/dbraw/zinc/59/14/94/1293591494.db2.gz DCWYLFOPDIIKDC-QGZVFWFLSA-N 1 0 332.469 3.381 20 10 EGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000130847953 1293670554 /nfs/dbraw/zinc/67/05/54/1293670554.db2.gz ZLYZSBFXUICFNY-UHFFFAOYSA-N 1 0 326.824 3.098 20 10 EGCDRO COc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1O ZINC000154314819 1294049864 /nfs/dbraw/zinc/04/98/64/1294049864.db2.gz LZHQSWYFMRLPTJ-UHFFFAOYSA-N 1 0 328.368 3.474 20 10 EGCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000156813797 1294160361 /nfs/dbraw/zinc/16/03/61/1294160361.db2.gz BLLHVUPSMOJCRP-OALUTQOASA-N 1 0 345.531 3.438 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccc1C ZINC000159037760 1294223067 /nfs/dbraw/zinc/22/30/67/1294223067.db2.gz JKGZXAISRXYYIJ-NRFANRHFSA-N 1 0 337.467 3.228 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(OC)c(C)cc3O)CC2)cc1 ZINC000159474627 1294236847 /nfs/dbraw/zinc/23/68/47/1294236847.db2.gz KXHZHXPSJACZDN-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164212024 1294345446 /nfs/dbraw/zinc/34/54/46/1294345446.db2.gz MLZHDEBCQBINSJ-HOTGVXAUSA-N 1 0 348.487 3.226 20 10 EGCDRO Cc1cc(O)c(CN2CC[NH+](CC3CCOCC3)CC2)cc1C(C)C ZINC000172407380 1294435186 /nfs/dbraw/zinc/43/51/86/1294435186.db2.gz MCGBIHUIUVJJPV-UHFFFAOYSA-N 1 0 346.515 3.368 20 10 EGCDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@@H](N2CC=CC2)C1)CCCC3 ZINC000172931412 1294449979 /nfs/dbraw/zinc/44/99/79/1294449979.db2.gz MKKIRCZSYGDHTJ-OAHLLOKOSA-N 1 0 338.451 3.463 20 10 EGCDRO C[C@H]([NH2+]CCOC1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178072400 1294714101 /nfs/dbraw/zinc/71/41/01/1294714101.db2.gz GRHDMERVKYFAMH-HNNXBMFYSA-N 1 0 336.451 3.272 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000178884150 1294760698 /nfs/dbraw/zinc/76/06/98/1294760698.db2.gz YJOYFQYQNPVHTN-HNNXBMFYSA-N 1 0 334.460 3.356 20 10 EGCDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000180197496 1294867670 /nfs/dbraw/zinc/86/76/70/1294867670.db2.gz WTTATWBQCPQLTO-UHFFFAOYSA-N 1 0 346.358 3.483 20 10 EGCDRO CCc1cccc(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000182315037 1295034460 /nfs/dbraw/zinc/03/44/60/1295034460.db2.gz DLWNLVVZUUFHJB-CYBMUJFWSA-N 1 0 328.412 3.253 20 10 EGCDRO CCc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182396385 1295042766 /nfs/dbraw/zinc/04/27/66/1295042766.db2.gz XAGFENOUUYKGOY-ZDUSSCGKSA-N 1 0 328.412 3.253 20 10 EGCDRO COc1ccc(O)c([C@H](C)NCc2nc(Cc3ccccc3)no2)c1 ZINC000182432128 1295047192 /nfs/dbraw/zinc/04/71/92/1295047192.db2.gz BXTACOLPHZIRFK-ZDUSSCGKSA-N 1 0 339.395 3.225 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1nccn1C ZINC000182495287 1295053396 /nfs/dbraw/zinc/05/33/96/1295053396.db2.gz FIGJJGKWHOWKQF-KRWDZBQOSA-N 1 0 330.501 3.214 20 10 EGCDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183156918 1295103147 /nfs/dbraw/zinc/10/31/47/1295103147.db2.gz KLZGIHQDHPJLOB-HXUWFJFHSA-N 1 0 329.440 3.468 20 10 EGCDRO CC(=O)N1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C(C)(C)C1 ZINC000184724559 1295214127 /nfs/dbraw/zinc/21/41/27/1295214127.db2.gz MLOSBVXVVQKKAD-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO CCN(CC[NH2+][C@@H](C)c1cc(OC)ccc1O)C(=O)OC(C)(C)C ZINC000185315402 1295254167 /nfs/dbraw/zinc/25/41/67/1295254167.db2.gz MSORJZFNKHFNJP-ZDUSSCGKSA-N 1 0 338.448 3.308 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)c1 ZINC000186376102 1295320496 /nfs/dbraw/zinc/32/04/96/1295320496.db2.gz KXSZEAQOVLWQLL-PPKXHPOVSA-N 1 0 335.444 3.373 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cc1OC ZINC000186456224 1295329913 /nfs/dbraw/zinc/32/99/13/1295329913.db2.gz ICHIVVNNMCEHEJ-JLTOFOAXSA-N 1 0 344.455 3.190 20 10 EGCDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000186753512 1295348586 /nfs/dbraw/zinc/34/85/86/1295348586.db2.gz YXONZQMXTLAXBP-GJZGRUSLSA-N 1 0 333.476 3.270 20 10 EGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000189376181 1295519266 /nfs/dbraw/zinc/51/92/66/1295519266.db2.gz QDDRLXZNABQABP-HNNXBMFYSA-N 1 0 334.460 3.356 20 10 EGCDRO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)cn1 ZINC000189870106 1295549471 /nfs/dbraw/zinc/54/94/71/1295549471.db2.gz PPSJHERKGMOEOL-SFHVURJKSA-N 1 0 343.496 3.295 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(C(=O)OC)c2ccccc2)c1 ZINC000191588804 1295693270 /nfs/dbraw/zinc/69/32/70/1295693270.db2.gz WARHMPCCLRNJME-HXUWFJFHSA-N 1 0 343.423 3.011 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1F ZINC000192937184 1295816398 /nfs/dbraw/zinc/81/63/98/1295816398.db2.gz JFMKVLOYHIWTRC-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000194262067 1295963053 /nfs/dbraw/zinc/96/30/53/1295963053.db2.gz SIFCWDDAWKFAHA-UHFFFAOYSA-N 1 0 346.519 3.205 20 10 EGCDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000195110105 1296037984 /nfs/dbraw/zinc/03/79/84/1296037984.db2.gz AOGWIBPHCDPCMQ-UHFFFAOYSA-N 1 0 337.467 3.278 20 10 EGCDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000227601867 1296144823 /nfs/dbraw/zinc/14/48/23/1296144823.db2.gz WKKXRCYLXOASFD-UHFFFAOYSA-N 1 0 328.840 3.439 20 10 EGCDRO CC[C@H]([NH2+]CCc1ccn(C)n1)c1cc(Br)ccc1O ZINC000229578664 1296156160 /nfs/dbraw/zinc/15/61/60/1296156160.db2.gz STHDRVRODUZVQT-AWEZNQCLSA-N 1 0 338.249 3.172 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000237395484 1296242212 /nfs/dbraw/zinc/24/22/12/1296242212.db2.gz AHEBAFRCSIDDMQ-OAHLLOKOSA-N 1 0 331.504 3.440 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(O)ccc1F ZINC000872023418 1296666976 /nfs/dbraw/zinc/66/69/76/1296666976.db2.gz GZTWMIRKFDICJO-AWEZNQCLSA-N 1 0 330.403 3.219 20 10 EGCDRO COc1ccc(C[NH2+]CC(C)(C)OCC2CC2)cc1Cn1cccn1 ZINC000873132184 1297289465 /nfs/dbraw/zinc/28/94/65/1297289465.db2.gz KTHIMEQATXNOHO-UHFFFAOYSA-N 1 0 343.471 3.235 20 10 EGCDRO COc1ccc(C[NH2+]CCCc2ccco2)cc1Cn1cccn1 ZINC000873139225 1297294125 /nfs/dbraw/zinc/29/41/25/1297294125.db2.gz YMEKLZIKPBIGQP-UHFFFAOYSA-N 1 0 325.412 3.255 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)c(F)cc1[O-] ZINC000873238752 1297380413 /nfs/dbraw/zinc/38/04/13/1297380413.db2.gz FTTFMABKSCJKKZ-GMTAPVOTSA-N 1 0 345.256 3.462 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000378778227 1297522061 /nfs/dbraw/zinc/52/20/61/1297522061.db2.gz GEPFQXRCYKPRKO-INIZCTEOSA-N 1 0 325.836 3.495 20 10 EGCDRO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000395663514 1297686317 /nfs/dbraw/zinc/68/63/17/1297686317.db2.gz GWGOIFOYWXVZKO-UHFFFAOYSA-N 1 0 329.282 3.365 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]CCN2CCCc3ccccc32)c1 ZINC000725849704 1298374993 /nfs/dbraw/zinc/37/49/93/1298374993.db2.gz VLTQFMFRRYYNBQ-UHFFFAOYSA-N 1 0 326.440 3.333 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745854649 1298491722 /nfs/dbraw/zinc/49/17/22/1298491722.db2.gz MXJAUNAZWSVIQZ-SJLPKXTDSA-N 1 0 346.519 3.155 20 10 EGCDRO CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[NH+](CC)CC ZINC000746173363 1298548346 /nfs/dbraw/zinc/54/83/46/1298548346.db2.gz UDYUPKCTHONSHB-IBGZPJMESA-N 1 0 331.504 3.414 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(O)c1 ZINC000876567911 1298835836 /nfs/dbraw/zinc/83/58/36/1298835836.db2.gz AZPLSGQRNCZKQH-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3O)CC2)nc1 ZINC000876596830 1298855141 /nfs/dbraw/zinc/85/51/41/1298855141.db2.gz OUJMOHFBBNAWAE-UHFFFAOYSA-N 1 0 339.439 3.255 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c(O)c1 ZINC000876811902 1299004797 /nfs/dbraw/zinc/00/47/97/1299004797.db2.gz IEPKDWJEGALFDE-AZUAARDMSA-N 1 0 327.424 3.025 20 10 EGCDRO CCOc1c(OC)cc(C[NH2+]Cc2c(C)cccc2O)cc1OC ZINC000876988290 1299102098 /nfs/dbraw/zinc/10/20/98/1299102098.db2.gz BEVDGORUNFVKIE-UHFFFAOYSA-N 1 0 331.412 3.406 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCCSC2)c1O ZINC000749110459 1299143518 /nfs/dbraw/zinc/14/35/18/1299143518.db2.gz HQJLIOSOQPOXNO-NSHDSACASA-N 1 0 332.263 3.149 20 10 EGCDRO Cc1csc([C@H](C)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877333254 1299251014 /nfs/dbraw/zinc/25/10/14/1299251014.db2.gz RCTQUDUGDMZBDB-CQSZACIVSA-N 1 0 345.512 3.306 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c(O)c1 ZINC000877476427 1299327271 /nfs/dbraw/zinc/32/72/71/1299327271.db2.gz DLKPGHBVZWFYAI-FQEVSTJZSA-N 1 0 340.467 3.081 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c(O)c1 ZINC000877497784 1299348395 /nfs/dbraw/zinc/34/83/95/1299348395.db2.gz BHUZDGUYOVISPV-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877502470 1299352945 /nfs/dbraw/zinc/35/29/45/1299352945.db2.gz KGUMKDSBSLBZGK-IBGZPJMESA-N 1 0 334.460 3.437 20 10 EGCDRO COCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877542822 1299384904 /nfs/dbraw/zinc/38/49/04/1299384904.db2.gz SMODUPQEMKWUDQ-UHFFFAOYSA-N 1 0 346.515 3.334 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCSC[C@H]3C3CCC3)cc2)CC1 ZINC000877593903 1299420031 /nfs/dbraw/zinc/42/00/31/1299420031.db2.gz IWUWFEZNBILXQJ-FQEVSTJZSA-N 1 0 346.540 3.365 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](CO)c2ccccc2)c1O ZINC000750979083 1299489951 /nfs/dbraw/zinc/48/99/51/1299489951.db2.gz MTHUHDFXZQJZKG-QGZVFWFLSA-N 1 0 333.815 3.414 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000877729596 1299508061 /nfs/dbraw/zinc/50/80/61/1299508061.db2.gz WECMFDDOHSGFFE-AWEZNQCLSA-N 1 0 347.480 3.251 20 10 EGCDRO c1cnc(NCCC[NH2+]Cc2ccc(N3CCCCC3)cc2)nc1 ZINC000751507710 1299558232 /nfs/dbraw/zinc/55/82/32/1299558232.db2.gz WKJUCWNNGXTFSK-UHFFFAOYSA-N 1 0 325.460 3.059 20 10 EGCDRO CC(C)CN1CCO[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756355664 1300474741 /nfs/dbraw/zinc/47/47/41/1300474741.db2.gz QQKOHZUTQBEGMM-FMKPAKJESA-N 1 0 336.451 3.026 20 10 EGCDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000879312818 1300479333 /nfs/dbraw/zinc/47/93/33/1300479333.db2.gz AJENJRWZXGVIKV-FQEVSTJZSA-N 1 0 332.488 3.039 20 10 EGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1C[C@H](C)c3c1c(O)ccc3F)C2 ZINC000756396987 1300482930 /nfs/dbraw/zinc/48/29/30/1300482930.db2.gz RDCYUGXDPFFIKQ-YNZJMPHRSA-N 1 0 327.403 3.325 20 10 EGCDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)N1CCOCC1 ZINC000756398054 1300484249 /nfs/dbraw/zinc/48/42/49/1300484249.db2.gz BGJVLHKESWICGD-LPHOPBHVSA-N 1 0 334.504 3.488 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(Br)cc1O ZINC000756432910 1300490325 /nfs/dbraw/zinc/49/03/25/1300490325.db2.gz LPUXONORCFQFQP-YGRLFVJLSA-N 1 0 327.266 3.146 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccn(C)n1 ZINC000756465177 1300497570 /nfs/dbraw/zinc/49/75/70/1300497570.db2.gz JIULWHNYQNXQGB-MAUKXSAKSA-N 1 0 328.460 3.059 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(Br)cc1O ZINC000756555620 1300522219 /nfs/dbraw/zinc/52/22/19/1300522219.db2.gz SZOOEUHKESDSEW-FZMZJTMJSA-N 1 0 339.277 3.290 20 10 EGCDRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(Br)cc1O ZINC000756585083 1300526490 /nfs/dbraw/zinc/52/64/90/1300526490.db2.gz XBOAKQLIHFXFGT-YPMHNXCESA-N 1 0 344.249 3.001 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000756637061 1300539204 /nfs/dbraw/zinc/53/92/04/1300539204.db2.gz LOGCMUQPZCKLSV-IFXJQAMLSA-N 1 0 334.529 3.359 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)c2c1c(F)ccc2O ZINC000756648867 1300539991 /nfs/dbraw/zinc/53/99/91/1300539991.db2.gz LQWBPFURFKJPHN-GWCFXTLKSA-N 1 0 336.407 3.289 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c2c1c(F)ccc2O ZINC000756657701 1300542552 /nfs/dbraw/zinc/54/25/52/1300542552.db2.gz FNCLJGPCXQXDHH-MXASKKJJSA-N 1 0 348.462 3.313 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1C ZINC000756737068 1300556655 /nfs/dbraw/zinc/55/66/55/1300556655.db2.gz CYHARMLBCNULGN-RRFJBIMHSA-N 1 0 325.474 3.015 20 10 EGCDRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)c3ccccc3O)c2cc1C ZINC000879649092 1300648977 /nfs/dbraw/zinc/64/89/77/1300648977.db2.gz LQBCNMZSLDOOLS-HZPDHXFCSA-N 1 0 339.439 3.070 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000879649353 1300649751 /nfs/dbraw/zinc/64/97/51/1300649751.db2.gz QYZWGYGFAVVJMH-BFHYXJOUSA-N 1 0 330.403 3.448 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 ZINC000758530253 1300904280 /nfs/dbraw/zinc/90/42/80/1300904280.db2.gz SQAUPVUPLNQAPW-VQTJNVASSA-N 1 0 328.431 3.148 20 10 EGCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000758848432 1300964702 /nfs/dbraw/zinc/96/47/02/1300964702.db2.gz LBZRBKMFJANQCI-GOSISDBHSA-N 1 0 346.519 3.159 20 10 EGCDRO COC(=O)CC1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCCCC1 ZINC000759729881 1301151169 /nfs/dbraw/zinc/15/11/69/1301151169.db2.gz ASHUMZFFMQUKSK-UHFFFAOYSA-N 1 0 337.391 3.090 20 10 EGCDRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000760041271 1301212131 /nfs/dbraw/zinc/21/21/31/1301212131.db2.gz XRGAMWSGMLXWCI-OCCSQVGLSA-N 1 0 330.394 3.483 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000761192587 1301417807 /nfs/dbraw/zinc/41/78/07/1301417807.db2.gz SPRWRMRKEWVTNU-ZDUSSCGKSA-N 1 0 335.831 3.437 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000761192586 1301418000 /nfs/dbraw/zinc/41/80/00/1301418000.db2.gz SPRWRMRKEWVTNU-CYBMUJFWSA-N 1 0 335.831 3.437 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCCNC(=O)C2CCC2)cc1F ZINC000763626826 1301935914 /nfs/dbraw/zinc/93/59/14/1301935914.db2.gz ONSFWXSQNIERRZ-UHFFFAOYSA-N 1 0 349.494 3.410 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)c1 ZINC000763881373 1301974349 /nfs/dbraw/zinc/97/43/49/1301974349.db2.gz CVLZHOHFRJHDBM-CJNGLKHVSA-N 1 0 334.460 3.089 20 10 EGCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000763952722 1301988744 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CC[C@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccccc1O ZINC000883286556 1302365420 /nfs/dbraw/zinc/36/54/20/1302365420.db2.gz WBMLVVRJQRTOIO-KRWDZBQOSA-N 1 0 325.412 3.163 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000766023963 1302372506 /nfs/dbraw/zinc/37/25/06/1302372506.db2.gz SOSSKVKJBBOQRC-UHFFFAOYSA-N 1 0 338.499 3.210 20 10 EGCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C[C@H](C)O ZINC000766120250 1302395546 /nfs/dbraw/zinc/39/55/46/1302395546.db2.gz KYSXWNBOPHJTHC-QLFBSQMISA-N 1 0 340.895 3.234 20 10 EGCDRO CC1(C)CCCN(CC[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000767738460 1302753571 /nfs/dbraw/zinc/75/35/71/1302753571.db2.gz KVJRCSUOEIBIGW-UHFFFAOYSA-N 1 0 341.293 3.366 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnn(CCOC)c2)cc1 ZINC000768207843 1302855474 /nfs/dbraw/zinc/85/54/74/1302855474.db2.gz JTQSHXSFFCBFIF-UHFFFAOYSA-N 1 0 330.476 3.008 20 10 EGCDRO CCOCCN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768245130 1302863900 /nfs/dbraw/zinc/86/39/00/1302863900.db2.gz 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EGCDRO COc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c(O)c1OC ZINC000892927630 1305611673 /nfs/dbraw/zinc/61/16/73/1305611673.db2.gz BEMHUAXYNSIBQM-UHFFFAOYSA-N 1 0 336.457 3.453 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCc3ccccc3C2)c(O)c1OC ZINC000892951030 1305623921 /nfs/dbraw/zinc/62/39/21/1305623921.db2.gz QPIGRGFSRZBGSV-AWEZNQCLSA-N 1 0 327.424 3.304 20 10 EGCDRO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(OC)c(OC)c2O)o1 ZINC000892956856 1305626550 /nfs/dbraw/zinc/62/65/50/1305626550.db2.gz YSSAUNWDYAYHCV-AWEZNQCLSA-N 1 0 335.400 3.042 20 10 EGCDRO COc1ccc(N2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)cc1 ZINC000787732053 1305785222 /nfs/dbraw/zinc/78/52/22/1305785222.db2.gz VIXZAECJYKNQHV-LJQANCHMSA-N 1 0 331.504 3.080 20 10 EGCDRO CCN(CCC[NH+](CC)CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000788083428 1305862413 /nfs/dbraw/zinc/86/24/13/1305862413.db2.gz XTXKDDVHIBQNMQ-UHFFFAOYSA-N 1 0 334.508 3.016 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c1O ZINC000788266263 1305911772 /nfs/dbraw/zinc/91/17/72/1305911772.db2.gz MALIRIUKZBOINU-AWEZNQCLSA-N 1 0 337.851 3.317 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c(O)c1OC ZINC000893572673 1305974773 /nfs/dbraw/zinc/97/47/73/1305974773.db2.gz SMUFJFQLXNJCDS-CZUORRHYSA-N 1 0 328.412 3.388 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1 ZINC000788634217 1305987498 /nfs/dbraw/zinc/98/74/98/1305987498.db2.gz XUWHOMSLKUFIJS-DOTOQJQBSA-N 1 0 330.472 3.451 20 10 EGCDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H](O)c1ccccc1 ZINC000894142603 1306243279 /nfs/dbraw/zinc/24/32/79/1306243279.db2.gz AWOAYQJKGMEPAZ-FUHWJXTLSA-N 1 0 345.439 3.401 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)c1O ZINC000894354295 1306355934 /nfs/dbraw/zinc/35/59/34/1306355934.db2.gz KGRBJBVOFHVGMQ-LJQANCHMSA-N 1 0 327.424 3.313 20 10 EGCDRO CSCC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)C(=O)N(C)C ZINC000808717532 1317721926 /nfs/dbraw/zinc/72/19/26/1317721926.db2.gz FZKKBYVBMCOFOI-FZMZJTMJSA-N 1 0 344.908 3.215 20 10 EGCDRO CC(C)(C[NH2+]Cc1cccc(Br)c1[O-])C[NH+]1CCCC1 ZINC000791010670 1308908648 /nfs/dbraw/zinc/90/86/48/1308908648.db2.gz HNIBKMTVAMOLDU-UHFFFAOYSA-N 1 0 341.293 3.366 20 10 EGCDRO COc1ccc(C[NH2+]C[C@](C)(OC)c2ccccc2)c(O)c1OC ZINC000894714238 1309033764 /nfs/dbraw/zinc/03/37/64/1309033764.db2.gz HAUIOKBQLBPAPM-IBGZPJMESA-N 1 0 331.412 3.061 20 10 EGCDRO COc1ccc(C[NH+]2CC(Cc3cccc(C)c3)C2)c(O)c1OC ZINC000894818875 1309087523 /nfs/dbraw/zinc/08/75/23/1309087523.db2.gz GSVDKKHQKFNOTM-UHFFFAOYSA-N 1 0 327.424 3.392 20 10 EGCDRO COc1ccc(C[NH+]2CC(Cc3ccc(F)cc3)C2)c(O)c1OC ZINC000894826561 1309089923 /nfs/dbraw/zinc/08/99/23/1309089923.db2.gz XIMYZIIWDCSDKF-UHFFFAOYSA-N 1 0 331.387 3.223 20 10 EGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792830321 1309238892 /nfs/dbraw/zinc/23/88/92/1309238892.db2.gz COTTXRFJLLCCHV-INIZCTEOSA-N 1 0 344.377 3.156 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000792994154 1309277795 /nfs/dbraw/zinc/27/77/95/1309277795.db2.gz YDRBVNMBQFGQPG-OAHLLOKOSA-N 1 0 342.361 3.496 20 10 EGCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793074331 1309292138 /nfs/dbraw/zinc/29/21/38/1309292138.db2.gz FTZHRJRFOGRFPJ-HOTGVXAUSA-N 1 0 346.393 3.055 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)c(O)c1 ZINC000793388560 1309362123 /nfs/dbraw/zinc/36/21/23/1309362123.db2.gz PRZUZVUEFQDUJU-UHFFFAOYSA-N 1 0 337.379 3.273 20 10 EGCDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000895847311 1309557788 /nfs/dbraw/zinc/55/77/88/1309557788.db2.gz UFRXYXDFZBPFRJ-QGZVFWFLSA-N 1 0 342.405 3.424 20 10 EGCDRO COc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794665947 1309566793 /nfs/dbraw/zinc/56/67/93/1309566793.db2.gz WSNUQNLKMDAWFB-VLIAUNLRSA-N 1 0 349.471 3.078 20 10 EGCDRO COc1ccc(N2CCN(c3cc[nH+]c4c(O)cccc34)CC2)cc1 ZINC000795055375 1309659282 /nfs/dbraw/zinc/65/92/82/1309659282.db2.gz AJMPXPRZSNRFNZ-UHFFFAOYSA-N 1 0 335.407 3.276 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)CCCN(C)Cc2ccco2)c1O ZINC000795752547 1309827359 /nfs/dbraw/zinc/82/73/59/1309827359.db2.gz OVDHJUHTQHXZDV-UHFFFAOYSA-N 1 0 332.444 3.256 20 10 EGCDRO Cc1cccc(CCC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000796448880 1310002797 /nfs/dbraw/zinc/00/27/97/1310002797.db2.gz OEQOIWPFJYLMTE-UHFFFAOYSA-N 1 0 343.446 3.088 20 10 EGCDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000796480433 1310010644 /nfs/dbraw/zinc/01/06/44/1310010644.db2.gz LXZBPWZVHCDBLN-DYESRHJHSA-N 1 0 340.467 3.043 20 10 EGCDRO COC(=O)N1CCC(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000796506400 1310017315 /nfs/dbraw/zinc/01/73/15/1310017315.db2.gz NXCPBNIJMZKJSP-UHFFFAOYSA-N 1 0 345.487 3.245 20 10 EGCDRO CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796727895 1310074121 /nfs/dbraw/zinc/07/41/21/1310074121.db2.gz JGVJTOMIKKRSCZ-RVKKMQEKSA-N 1 0 338.467 3.461 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2cccc(=O)[nH]2)c(O)c(C(C)(C)C)c1 ZINC000897391582 1310317734 /nfs/dbraw/zinc/31/77/34/1310317734.db2.gz UZSPSNLWPKYXRD-UHFFFAOYSA-N 1 0 330.428 3.431 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000798376358 1310350248 /nfs/dbraw/zinc/35/02/48/1310350248.db2.gz UAHJNXKSEHSWBT-UHFFFAOYSA-N 1 0 346.519 3.160 20 10 EGCDRO CN(C)c1ccc([C@@H](CNc2cc(C(F)F)ncn2)[NH+](C)C)cc1 ZINC000897521146 1310360921 /nfs/dbraw/zinc/36/09/21/1310360921.db2.gz DJCWNOJJSOAXQN-OAHLLOKOSA-N 1 0 335.402 3.195 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCc3cc(F)cc(C)c3C2)cc1OC ZINC000799950155 1310643613 /nfs/dbraw/zinc/64/36/13/1310643613.db2.gz HXLBHPGWYNYHEX-UHFFFAOYSA-N 1 0 331.387 3.415 20 10 EGCDRO O=c1ccccn1C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000800313046 1310731352 /nfs/dbraw/zinc/73/13/52/1310731352.db2.gz AYOUELGFRZULIK-FQEVSTJZSA-N 1 0 346.430 3.314 20 10 EGCDRO CN(C)c1ccc([C@H](CNCc2cnc(C3CC3)o2)[NH+](C)C)cc1 ZINC000898447413 1310739389 /nfs/dbraw/zinc/73/93/89/1310739389.db2.gz JMXWRRSYGUOOCR-SFHVURJKSA-N 1 0 328.460 3.011 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(Cl)cn2)N(C)C)cc1 ZINC000898448260 1310739611 /nfs/dbraw/zinc/73/96/11/1310739611.db2.gz RFAYDZZNCDABGZ-SFHVURJKSA-N 1 0 332.879 3.194 20 10 EGCDRO COCc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000898449933 1310742373 /nfs/dbraw/zinc/74/23/73/1310742373.db2.gz LWIZAEIUDBKVKO-OAQYLSRUSA-N 1 0 341.499 3.292 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000800476729 1310766013 /nfs/dbraw/zinc/76/60/13/1310766013.db2.gz ORECKPAMPXMJDC-LJQANCHMSA-N 1 0 330.472 3.213 20 10 EGCDRO O=c1ccccn1C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000800545050 1310781680 /nfs/dbraw/zinc/78/16/80/1310781680.db2.gz IVCIRUJDOTXJNB-GOSISDBHSA-N 1 0 338.382 3.224 20 10 EGCDRO CC(C)[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101655 1310935652 /nfs/dbraw/zinc/93/56/52/1310935652.db2.gz KHFBXYVUSYKYHB-YJBOKZPZSA-N 1 0 334.508 3.041 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccsc1 ZINC000801571154 1310968245 /nfs/dbraw/zinc/96/82/45/1310968245.db2.gz TWOQNKROHIMZSH-CQSZACIVSA-N 1 0 331.485 3.123 20 10 EGCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000824861047 1320291133 /nfs/dbraw/zinc/29/11/33/1320291133.db2.gz FKJDQFUDYNIWIR-KGLIPLIRSA-N 1 0 341.835 3.266 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1Cl ZINC000824926262 1320297037 /nfs/dbraw/zinc/29/70/37/1320297037.db2.gz DFOVXJXJAIVKNZ-DYVFJYSZSA-N 1 0 349.862 3.033 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000825133295 1320313446 /nfs/dbraw/zinc/31/34/46/1320313446.db2.gz CFJZKVDFFRUPHE-MRXNPFEDSA-N 1 0 340.261 3.466 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000825090845 1320308390 /nfs/dbraw/zinc/30/83/90/1320308390.db2.gz JYROHBRIJQRRKX-CQSZACIVSA-N 1 0 342.277 3.446 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000824893133 1320294500 /nfs/dbraw/zinc/29/45/00/1320294500.db2.gz LHNKJDAIJDKIMG-YPMHNXCESA-N 1 0 330.350 3.073 20 10 EGCDRO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000826048160 1320380666 /nfs/dbraw/zinc/38/06/66/1320380666.db2.gz FMRLOXXXFAUILE-KFWWJZLASA-N 1 0 340.261 3.280 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000827196830 1320433250 /nfs/dbraw/zinc/43/32/50/1320433250.db2.gz QGIXAUNYLIOLPX-AZUAARDMSA-N 1 0 341.451 3.389 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)CCCc2cccnc2)cc1OC ZINC000839151276 1320881267 /nfs/dbraw/zinc/88/12/67/1320881267.db2.gz VBCQQPNFXYNVGI-AWEZNQCLSA-N 1 0 330.428 3.305 20 10 EGCDRO COCCO[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000802652878 1317023395 /nfs/dbraw/zinc/02/33/95/1317023395.db2.gz LMNVUUSNWUJOTC-FQEVSTJZSA-N 1 0 332.488 3.304 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC34CCCC4)C2)cc1C ZINC001019610781 1317306047 /nfs/dbraw/zinc/30/60/47/1317306047.db2.gz NTAQVGIQCRWIKR-ROUUACIJSA-N 1 0 342.483 3.274 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccc(F)cc1 ZINC000858138716 1328692473 /nfs/dbraw/zinc/69/24/73/1328692473.db2.gz IYZREXDNNRJIRA-VOJFVSQTSA-N 1 0 338.373 3.382 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CCO)c2cccs2)cc1F ZINC000858143406 1328694631 /nfs/dbraw/zinc/69/46/31/1328694631.db2.gz XYRNHGHRZHJBFQ-CQSZACIVSA-N 1 0 326.412 3.306 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2c(O)cccc2Br)[C@H]2CCCO[C@H]21 ZINC000858146094 1328695162 /nfs/dbraw/zinc/69/51/62/1328695162.db2.gz OUPNBBNLFWECME-VCTAVGKDSA-N 1 0 340.261 3.448 20 10 EGCDRO COC[C@@H](NCc1c(O)cccc1Br)c1ccco1 ZINC000858148380 1328696742 /nfs/dbraw/zinc/69/67/42/1328696742.db2.gz VJLCMMZOJKPSEG-GFCCVEGCSA-N 1 0 326.190 3.225 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000805767594 1317420562 /nfs/dbraw/zinc/42/05/62/1317420562.db2.gz LVWHBLUJGGEGBO-YVEFUNNKSA-N 1 0 336.863 3.307 20 10 EGCDRO CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000806131912 1317463323 /nfs/dbraw/zinc/46/33/23/1317463323.db2.gz OSUYMHXIMNGCOI-KRWDZBQOSA-N 1 0 339.911 3.114 20 10 EGCDRO CNc1ccccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000902103200 1317522648 /nfs/dbraw/zinc/52/26/48/1317522648.db2.gz VVBWAWILLWLNBD-MRXNPFEDSA-N 1 0 325.456 3.416 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000808430310 1317676175 /nfs/dbraw/zinc/67/61/75/1317676175.db2.gz FAZOOJYEBVDEHK-HNNXBMFYSA-N 1 0 335.831 3.310 20 10 EGCDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000808443459 1317678252 /nfs/dbraw/zinc/67/82/52/1317678252.db2.gz FENLLPIABAZIQD-VLIAUNLRSA-N 1 0 342.414 3.274 20 10 EGCDRO CC(C)n1cc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000903447915 1317701038 /nfs/dbraw/zinc/70/10/38/1317701038.db2.gz GAIABDULRQEORU-OXJNMPFZSA-N 1 0 343.519 3.484 20 10 EGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448024 1317701198 /nfs/dbraw/zinc/70/11/98/1317701198.db2.gz HZPQAHCMLXDKAI-VDGAXYAQSA-N 1 0 333.520 3.150 20 10 EGCDRO COc1cc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC000903448311 1317702164 /nfs/dbraw/zinc/70/21/64/1317702164.db2.gz MXVRJNLPYNEHKJ-KXBFYZLASA-N 1 0 342.487 3.110 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H](c2ccccn2)C2CC2)N(C)C)cc1 ZINC000903449334 1317702445 /nfs/dbraw/zinc/70/24/45/1317702445.db2.gz XIQGHOBEMYCQOM-SFTDATJTSA-N 1 0 338.499 3.491 20 10 EGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808690040 1317716236 /nfs/dbraw/zinc/71/62/36/1317716236.db2.gz IZVACQPPOFQUBG-WCQYABFASA-N 1 0 326.824 3.235 20 10 EGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808690039 1317716781 /nfs/dbraw/zinc/71/67/81/1317716781.db2.gz IZVACQPPOFQUBG-DGCLKSJQSA-N 1 0 326.824 3.235 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)cc1 ZINC000808723478 1317723322 /nfs/dbraw/zinc/72/33/22/1317723322.db2.gz OUAXKYNMBYPWGT-FCXXMXSZSA-N 1 0 343.515 3.440 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H](C)C3)C2)cc1C ZINC001020671597 1317848117 /nfs/dbraw/zinc/84/81/17/1317848117.db2.gz LGESKISWFMBBFH-BNEJOLLZSA-N 1 0 330.472 3.177 20 10 EGCDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809637468 1317852985 /nfs/dbraw/zinc/85/29/85/1317852985.db2.gz VEHWCAAEDWEFII-LAUBAEHRSA-N 1 0 336.479 3.452 20 10 EGCDRO OC[C@@]1(F)CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809662621 1317859511 /nfs/dbraw/zinc/85/95/11/1317859511.db2.gz ARVVNGRRXBQJFX-OAQYLSRUSA-N 1 0 340.442 3.156 20 10 EGCDRO [NH3+]CCN(Cc1c(O)ccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000809727896 1317879815 /nfs/dbraw/zinc/87/98/15/1317879815.db2.gz BUKNEFQZQGZYBD-UHFFFAOYSA-N 1 0 339.754 3.058 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)cc1C ZINC001020720516 1317886911 /nfs/dbraw/zinc/88/69/11/1317886911.db2.gz DSBXHPBVTNNPRK-CADBVGFASA-N 1 0 342.483 3.177 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)COCC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810213290 1317977821 /nfs/dbraw/zinc/97/78/21/1317977821.db2.gz QMAMXADZQCIMLQ-ZFWWWQNUSA-N 1 0 349.393 3.485 20 10 EGCDRO CCc1nncn1CC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220574 1317978958 /nfs/dbraw/zinc/97/89/58/1317978958.db2.gz ABZIPJIJFMDUHU-CYBMUJFWSA-N 1 0 342.365 3.306 20 10 EGCDRO CC[C@@H]([NH2+]CCNc1cnccn1)c1ccc(C(F)(F)F)cc1O ZINC000810223307 1317979568 /nfs/dbraw/zinc/97/95/68/1317979568.db2.gz KQHXCGKIPUDJAC-CYBMUJFWSA-N 1 0 340.349 3.354 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C(=O)NC)c1ccc(C(F)(F)F)cc1O ZINC000810229189 1317981230 /nfs/dbraw/zinc/98/12/30/1317981230.db2.gz UPIKYNXXRVJPNE-HZSPNIEDSA-N 1 0 344.377 3.366 20 10 EGCDRO CC[C@H]([NH2+]C[C@@]1(OC)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810236949 1317982815 /nfs/dbraw/zinc/98/28/15/1317982815.db2.gz OOIOWHSCVPDKDG-ZFWWWQNUSA-N 1 0 333.350 3.257 20 10 EGCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000906109781 1318040488 /nfs/dbraw/zinc/04/04/88/1318040488.db2.gz FVHFEKHSJOUGQX-GOSISDBHSA-N 1 0 329.488 3.025 20 10 EGCDRO Oc1ccc(Cl)cc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000812779023 1318452030 /nfs/dbraw/zinc/45/20/30/1318452030.db2.gz SXGJGPISDUTDIK-KRWDZBQOSA-N 1 0 332.831 3.224 20 10 EGCDRO Oc1c(Cl)cccc1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000812778780 1318452779 /nfs/dbraw/zinc/45/27/79/1318452779.db2.gz OHUKXSPZHFQEIS-MRXNPFEDSA-N 1 0 332.831 3.224 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3C=CCC3)C2)cc1C ZINC001021819009 1318696492 /nfs/dbraw/zinc/69/64/92/1318696492.db2.gz JDFMCIVJUUXKGV-NXHRZFHOSA-N 1 0 328.456 3.097 20 10 EGCDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2c1c(F)ccc2O ZINC000858537687 1328791351 /nfs/dbraw/zinc/79/13/51/1328791351.db2.gz POVBJGJUUJLTPO-FUDCFQHSSA-N 1 0 344.386 3.300 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)C3CCC3)C2)cc1C ZINC001022266683 1318863406 /nfs/dbraw/zinc/86/34/06/1318863406.db2.gz NIFPMKRKLWFEGG-JCGIZDLHSA-N 1 0 330.472 3.177 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cn1 ZINC000815561098 1319015725 /nfs/dbraw/zinc/01/57/25/1319015725.db2.gz YHCQPUWAIAAJEF-HNNXBMFYSA-N 1 0 330.428 3.280 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c(O)c1 ZINC000815564659 1319015757 /nfs/dbraw/zinc/01/57/57/1319015757.db2.gz PDHZJCHXWWOBKC-ZBFHGGJFSA-N 1 0 333.403 3.239 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3csc(C)c3)C2)cc1C ZINC001022853544 1319137010 /nfs/dbraw/zinc/13/70/10/1319137010.db2.gz GDYQQUPNLZKQFD-CALCHBBNSA-N 1 0 344.480 3.424 20 10 EGCDRO Oc1c(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816549297 1319180204 /nfs/dbraw/zinc/18/02/04/1319180204.db2.gz JRKGTRZCQNASDJ-LJQANCHMSA-N 1 0 340.467 3.278 20 10 EGCDRO Oc1c(C[NH+]2CCC(Oc3cnccn3)CC2)ccc2ccccc21 ZINC000816593515 1319189279 /nfs/dbraw/zinc/18/92/79/1319189279.db2.gz UWSJMIHULTUYCH-UHFFFAOYSA-N 1 0 335.407 3.379 20 10 EGCDRO Oc1c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)ccc2ccccc21 ZINC000816592627 1319189595 /nfs/dbraw/zinc/18/95/95/1319189595.db2.gz PEMMMAAZGISGCT-IBGZPJMESA-N 1 0 337.423 3.214 20 10 EGCDRO Oc1c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)ccc2ccccc21 ZINC000816600784 1319192184 /nfs/dbraw/zinc/19/21/84/1319192184.db2.gz HSNVIJIKWWUSFI-YLJYHZDGSA-N 1 0 341.451 3.203 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1O ZINC000816625064 1319197134 /nfs/dbraw/zinc/19/71/34/1319197134.db2.gz PXZTYAPFYUCUTC-INIZCTEOSA-N 1 0 335.831 3.090 20 10 EGCDRO CCCN1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000817410815 1319351286 /nfs/dbraw/zinc/35/12/86/1319351286.db2.gz HPOYTRXYSWCEGZ-MRXNPFEDSA-N 1 0 338.451 3.407 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000817413866 1319353338 /nfs/dbraw/zinc/35/33/38/1319353338.db2.gz BTXPEYCSUYLYDU-UKRRQHHQSA-N 1 0 335.444 3.201 20 10 EGCDRO C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817936039 1319465325 /nfs/dbraw/zinc/46/53/25/1319465325.db2.gz MHIPYJQNOFOJKU-QMMMGPOBSA-N 1 0 333.657 3.211 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000817938408 1319466972 /nfs/dbraw/zinc/46/69/72/1319466972.db2.gz JYIMKWCIQWVQKF-IERDGZPVSA-N 1 0 349.482 3.289 20 10 EGCDRO CC(C)(C(=O)NCCCSc1nccs1)[C@H]([NH3+])c1ccccc1 ZINC000817940541 1319467937 /nfs/dbraw/zinc/46/79/37/1319467937.db2.gz JPIWNERAMGUVRC-CQSZACIVSA-N 1 0 349.525 3.468 20 10 EGCDRO C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817954764 1319474592 /nfs/dbraw/zinc/47/45/92/1319474592.db2.gz IWVNDJMYEKIELK-UWVGGRQHSA-N 1 0 347.684 3.458 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817956037 1319476744 /nfs/dbraw/zinc/47/67/44/1319476744.db2.gz OHYMKLDCYZRIRP-OAHLLOKOSA-N 1 0 343.446 3.138 20 10 EGCDRO C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817965911 1319479969 /nfs/dbraw/zinc/47/99/69/1319479969.db2.gz WXDIFXPLOAYCAP-MADCSZMMSA-N 1 0 333.657 3.196 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817969510 1319480907 /nfs/dbraw/zinc/48/09/07/1319480907.db2.gz VRZHQLDIFZVWPV-VHSXEESVSA-N 1 0 331.229 3.087 20 10 EGCDRO COCC1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC[NH2+]CC1 ZINC000817973712 1319482781 /nfs/dbraw/zinc/48/27/81/1319482781.db2.gz GVHQLJACOABVMK-LLVKDONJSA-N 1 0 347.286 3.366 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)cc(F)c1[O-] ZINC000817976570 1319484186 /nfs/dbraw/zinc/48/41/86/1319484186.db2.gz NUFVIWOQMOUTNW-TVQRCGJNSA-N 1 0 343.240 3.087 20 10 EGCDRO CC(C)n1cncc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000818183332 1319511230 /nfs/dbraw/zinc/51/12/30/1319511230.db2.gz YIZCUQLDBXHKHR-MRXNPFEDSA-N 1 0 328.460 3.151 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000818220852 1319521856 /nfs/dbraw/zinc/52/18/56/1319521856.db2.gz NDLFZJWRJRCJDK-OAHLLOKOSA-N 1 0 341.411 3.220 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000818221377 1319521861 /nfs/dbraw/zinc/52/18/61/1319521861.db2.gz LSZYJHHKGMIRJH-IAGOWNOFSA-N 1 0 330.472 3.213 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(F)cn3)C2)cc1 ZINC000818342291 1319530300 /nfs/dbraw/zinc/53/03/00/1319530300.db2.gz OMUKJWAYKONMLI-LSDHHAIUSA-N 1 0 329.419 3.406 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cnc(C)nc3C)C2)cc1 ZINC000818341962 1319531077 /nfs/dbraw/zinc/53/10/77/1319531077.db2.gz JNPPKKPZVSBTES-YOEHRIQHSA-N 1 0 340.471 3.279 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000818342297 1319531194 /nfs/dbraw/zinc/53/11/94/1319531194.db2.gz OOWPSOCTOMWTSL-OXJNMPFZSA-N 1 0 332.488 3.316 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC(C)(C)OC3(C)C)C2)cc1 ZINC000818343641 1319532420 /nfs/dbraw/zinc/53/24/20/1319532420.db2.gz CFUNXUGOKCXBOH-CRAIPNDOSA-N 1 0 332.488 3.457 20 10 EGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000917014318 1319739294 /nfs/dbraw/zinc/73/92/94/1319739294.db2.gz RYUQZDVGQAXBMJ-LJQANCHMSA-N 1 0 346.471 3.134 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(O)c(C(C)(C)C)c1 ZINC000819898753 1319795358 /nfs/dbraw/zinc/79/53/58/1319795358.db2.gz YVRFUFINPKWDHJ-OAHLLOKOSA-N 1 0 344.459 3.127 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000822093694 1320053756 /nfs/dbraw/zinc/05/37/56/1320053756.db2.gz FUGNJQSVDHQYDE-FQEVSTJZSA-N 1 0 337.467 3.206 20 10 EGCDRO CCOC(=O)CN(Cc1ccc(COC)cc1)Cc1ccccc1O ZINC000822511352 1320091691 /nfs/dbraw/zinc/09/16/91/1320091691.db2.gz DUTFRYDVBFJHQP-UHFFFAOYSA-N 1 0 343.423 3.104 20 10 EGCDRO COc1ccc(N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822570107 1320098618 /nfs/dbraw/zinc/09/86/18/1320098618.db2.gz GRNREUGLBIXSFW-CYBMUJFWSA-N 1 0 329.271 3.401 20 10 EGCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000824084770 1320227495 /nfs/dbraw/zinc/22/74/95/1320227495.db2.gz HTNIRZVGCNFNRJ-DOTOQJQBSA-N 1 0 331.504 3.303 20 10 EGCDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000824085985 1320227751 /nfs/dbraw/zinc/22/77/51/1320227751.db2.gz ROJQDOKRMBSHAC-NDUPCHFUSA-N 1 0 343.515 3.303 20 10 EGCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000824708005 1320278393 /nfs/dbraw/zinc/27/83/93/1320278393.db2.gz CGICYFZLXWVXDP-FXAWDEMLSA-N 1 0 327.424 3.200 20 10 EGCDRO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824715508 1320279183 /nfs/dbraw/zinc/27/91/83/1320279183.db2.gz KQRVQUQTGHSPGD-YUELXQCFSA-N 1 0 340.261 3.280 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1Cl ZINC000824817987 1320289376 /nfs/dbraw/zinc/28/93/76/1320289376.db2.gz FCTKDWYZSJZBNN-KRWDZBQOSA-N 1 0 349.862 3.033 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000824948601 1320299780 /nfs/dbraw/zinc/29/97/80/1320299780.db2.gz RUWDDQDXPNVHCC-SJLPKXTDSA-N 1 0 328.412 3.196 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133536 1320313805 /nfs/dbraw/zinc/31/38/05/1320313805.db2.gz JMNUZKYNGWDWBA-HNNXBMFYSA-N 1 0 326.234 3.157 20 10 EGCDRO Oc1c(C[N@H+](CCN2CCOCC2)CC2CC2)ccc2ccccc21 ZINC000827519839 1320458061 /nfs/dbraw/zinc/45/80/61/1320458061.db2.gz VNRDYVKRTSHAGC-UHFFFAOYSA-N 1 0 340.467 3.090 20 10 EGCDRO CC[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838895836 1320831145 /nfs/dbraw/zinc/83/11/45/1320831145.db2.gz UKXYBIUKPIEWCY-CQSZACIVSA-N 1 0 341.293 3.300 20 10 EGCDRO CCOc1cc(C[NH2+]Cc2cc(OC)ccc2O)cc(Cl)c1O ZINC000838947291 1320839483 /nfs/dbraw/zinc/83/94/83/1320839483.db2.gz JZLOJJIJUPRTRG-UHFFFAOYSA-N 1 0 337.803 3.448 20 10 EGCDRO Fc1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc(F)c1N1CCOCC1 ZINC000839145604 1320880840 /nfs/dbraw/zinc/88/08/40/1320880840.db2.gz QSGLZGFXUCDYEA-CRAIPNDOSA-N 1 0 336.426 3.470 20 10 EGCDRO C[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1O ZINC000839516983 1320931510 /nfs/dbraw/zinc/93/15/10/1320931510.db2.gz PAQJFRUWKCNUSH-OAHLLOKOSA-N 1 0 334.460 3.471 20 10 EGCDRO CN1CC[C@@H]2C[N@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C[C@@H]21 ZINC000840132324 1321036313 /nfs/dbraw/zinc/03/63/13/1321036313.db2.gz KRHPXZZYSBHQKJ-CJNGLKHVSA-N 1 0 326.440 3.153 20 10 EGCDRO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840146734 1321039998 /nfs/dbraw/zinc/03/99/98/1321039998.db2.gz MGWFRFIMJJBMLQ-INIZCTEOSA-N 1 0 347.503 3.234 20 10 EGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC000840712668 1321132695 /nfs/dbraw/zinc/13/26/95/1321132695.db2.gz FEDIWCLGFZIUPM-MRXNPFEDSA-N 1 0 325.456 3.411 20 10 EGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC000840712666 1321132998 /nfs/dbraw/zinc/13/29/98/1321132998.db2.gz FEDIWCLGFZIUPM-INIZCTEOSA-N 1 0 325.456 3.411 20 10 EGCDRO Cc1cncc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840758187 1321142664 /nfs/dbraw/zinc/14/26/64/1321142664.db2.gz DHDRPIINWZFGHM-CQSZACIVSA-N 1 0 347.409 3.356 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000840895545 1321171792 /nfs/dbraw/zinc/17/17/92/1321171792.db2.gz ZTEPIRDMWYMYHR-INIZCTEOSA-N 1 0 332.488 3.267 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000840910470 1321175644 /nfs/dbraw/zinc/17/56/44/1321175644.db2.gz NEVPDYJNMVFZDP-UHFFFAOYSA-N 1 0 337.467 3.325 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000840948056 1321183738 /nfs/dbraw/zinc/18/37/38/1321183738.db2.gz KPTHULNVSUMSDY-ZBFHGGJFSA-N 1 0 330.394 3.054 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@@H](O)C(C)C ZINC000840966198 1321188924 /nfs/dbraw/zinc/18/89/24/1321188924.db2.gz DJPXIMRCWRTGCN-KBPBESRZSA-N 1 0 330.266 3.348 20 10 EGCDRO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccccc1O ZINC000840964420 1321189170 /nfs/dbraw/zinc/18/91/70/1321189170.db2.gz SFNVXWPFVAZGEP-TZIWHRDSSA-N 1 0 340.467 3.019 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840976655 1321192018 /nfs/dbraw/zinc/19/20/18/1321192018.db2.gz PFNSIVVQIFXHQU-HNNXBMFYSA-N 1 0 328.456 3.496 20 10 EGCDRO C[C@@H]([NH3+])c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000841029118 1321203644 /nfs/dbraw/zinc/20/36/44/1321203644.db2.gz SVQFVXAEIQTZFE-CQSZACIVSA-N 1 0 329.419 3.294 20 10 EGCDRO CCOc1cccc(CN2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)c1O ZINC000841047205 1321209527 /nfs/dbraw/zinc/20/95/27/1321209527.db2.gz LWVSBVZGICQOMN-CYBMUJFWSA-N 1 0 330.403 3.428 20 10 EGCDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841057846 1321211429 /nfs/dbraw/zinc/21/14/29/1321211429.db2.gz LFGITFRFBBJQRP-NRFANRHFSA-N 1 0 337.467 3.273 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)[C@@]12CCCO2 ZINC000841751528 1321306106 /nfs/dbraw/zinc/30/61/06/1321306106.db2.gz HRSFRTRXVKVYNR-BEMMVCDISA-N 1 0 325.836 3.423 20 10 EGCDRO C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841757264 1321307117 /nfs/dbraw/zinc/30/71/17/1321307117.db2.gz CTJIEDPXNTWKJS-KGLIPLIRSA-N 1 0 338.879 3.197 20 10 EGCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841806112 1321315847 /nfs/dbraw/zinc/31/58/47/1321315847.db2.gz UWXYJUDXQKAWHB-MRXNPFEDSA-N 1 0 346.519 3.011 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000841939135 1321331212 /nfs/dbraw/zinc/33/12/12/1321331212.db2.gz DRGSQIXLDSXPMK-IBGZPJMESA-N 1 0 346.519 3.192 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000841946717 1321331289 /nfs/dbraw/zinc/33/12/89/1321331289.db2.gz BPCJXXTYGGYUAL-SFHVURJKSA-N 1 0 341.455 3.404 20 10 EGCDRO CC(C)C[C@@H](C[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841954783 1321331507 /nfs/dbraw/zinc/33/15/07/1321331507.db2.gz VJUDAKFEIFLTOF-INIZCTEOSA-N 1 0 345.443 3.070 20 10 EGCDRO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841953035 1321332022 /nfs/dbraw/zinc/33/20/22/1321332022.db2.gz BMHGAYKHJHTIGJ-SFHVURJKSA-N 1 0 346.519 3.192 20 10 EGCDRO CCCC[C@@H](C[NH3+])NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000841959184 1321332501 /nfs/dbraw/zinc/33/25/01/1321332501.db2.gz WAAQQNXJXLAONX-KRWDZBQOSA-N 1 0 334.508 3.192 20 10 EGCDRO O=C(N[C@H]1CCC[NH2+]CC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841977040 1321332998 /nfs/dbraw/zinc/33/29/98/1321332998.db2.gz GFVFIMASEFRTDZ-KRWDZBQOSA-N 1 0 345.487 3.379 20 10 EGCDRO O=C(N[C@@H]1CCC[NH2+]CC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841977044 1321333060 /nfs/dbraw/zinc/33/30/60/1321333060.db2.gz GFVFIMASEFRTDZ-QGZVFWFLSA-N 1 0 345.487 3.379 20 10 EGCDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC[NH2+]1 ZINC000841989276 1321333484 /nfs/dbraw/zinc/33/34/84/1321333484.db2.gz UCUVSHYHOGWBSP-RDJZCZTQSA-N 1 0 345.487 3.377 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000842007211 1321334935 /nfs/dbraw/zinc/33/49/35/1321334935.db2.gz WUJPFRSNWPRAQG-SFHVURJKSA-N 1 0 346.519 3.206 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)NCc1cccs1 ZINC000842749668 1321427722 /nfs/dbraw/zinc/42/77/22/1321427722.db2.gz FXRYCCCWOSANTC-AWEZNQCLSA-N 1 0 338.860 3.292 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(N2CCNC2=O)cc1 ZINC000842900531 1321447837 /nfs/dbraw/zinc/44/78/37/1321447837.db2.gz IBXZAODRKVXCOW-DYVFJYSZSA-N 1 0 337.423 3.260 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)c1ccccc1O ZINC000842899339 1321447895 /nfs/dbraw/zinc/44/78/95/1321447895.db2.gz DTMANKFVPYDTAS-UONOGXRCSA-N 1 0 325.412 3.334 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)NCc1cccs1 ZINC000842911059 1321448524 /nfs/dbraw/zinc/44/85/24/1321448524.db2.gz WNMVAIPSNLEBEE-XHDPSFHLSA-N 1 0 336.432 3.338 20 10 EGCDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000843055558 1321463047 /nfs/dbraw/zinc/46/30/47/1321463047.db2.gz LAMXCLNZILSAGZ-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000843113546 1321472361 /nfs/dbraw/zinc/47/23/61/1321472361.db2.gz WOJMHWJVIMPJOX-LBPRGKRZSA-N 1 0 327.266 3.024 20 10 EGCDRO COc1cccc(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1O ZINC000843114482 1321472586 /nfs/dbraw/zinc/47/25/86/1321472586.db2.gz KBFWZWOGEXYKTE-INIZCTEOSA-N 1 0 332.831 3.201 20 10 EGCDRO CC(C)N(C(=O)CN1CCCc2cc(C[NH3+])ccc21)C1CCCC1 ZINC000843349777 1321503229 /nfs/dbraw/zinc/50/32/29/1321503229.db2.gz BPCXJGAGGXXNDX-UHFFFAOYSA-N 1 0 329.488 3.078 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc(CCc2ccccc2)no1 ZINC000843350040 1321503494 /nfs/dbraw/zinc/50/34/94/1321503494.db2.gz INZSINOQRYALHW-UHFFFAOYSA-N 1 0 348.450 3.266 20 10 EGCDRO C[NH2+]C[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1 ZINC000843349145 1321503662 /nfs/dbraw/zinc/50/36/62/1321503662.db2.gz ITZCWYRVYAXKJZ-GOSISDBHSA-N 1 0 339.483 3.127 20 10 EGCDRO Cc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000843453910 1321519874 /nfs/dbraw/zinc/51/98/74/1321519874.db2.gz LQQVBHWZHMARMS-FQEVSTJZSA-N 1 0 343.446 3.353 20 10 EGCDRO CC(C)(C)c1ncc(/C=C/C(=O)N2C[C@H]([NH3+])Cc3ccccc32)s1 ZINC000844199786 1321578153 /nfs/dbraw/zinc/57/81/53/1321578153.db2.gz SZTCXWHITSUQML-MYSGNRETSA-N 1 0 341.480 3.370 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1OC ZINC000846108431 1321768303 /nfs/dbraw/zinc/76/83/03/1321768303.db2.gz DKMIBIXRWUYTHH-LLVKDONJSA-N 1 0 334.243 3.473 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1O ZINC000846142101 1321770764 /nfs/dbraw/zinc/77/07/64/1321770764.db2.gz XEIKVLJUIVHRTL-DYVFJYSZSA-N 1 0 332.419 3.493 20 10 EGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C2 ZINC000846157984 1321772813 /nfs/dbraw/zinc/77/28/13/1321772813.db2.gz QXERWFZCLNJELG-JSGCOSHPSA-N 1 0 329.396 3.064 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000846167055 1321773905 /nfs/dbraw/zinc/77/39/05/1321773905.db2.gz RXTYPFNBDRXMKO-QKMWGZLOSA-N 1 0 345.414 3.357 20 10 EGCDRO CCc1cccc(C[NH2+]CC(=O)N(CC)Cc2ccccc2)c1O ZINC000848893675 1322033391 /nfs/dbraw/zinc/03/33/91/1322033391.db2.gz BGMWHRATNXRENV-UHFFFAOYSA-N 1 0 326.440 3.093 20 10 EGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000848907791 1322041160 /nfs/dbraw/zinc/04/11/60/1322041160.db2.gz IIKIXZIONZPCGB-GOSISDBHSA-N 1 0 338.451 3.440 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)ccc1N1CCOCC1 ZINC000848925429 1322046859 /nfs/dbraw/zinc/04/68/59/1322046859.db2.gz VQGBYKNNGXPXDW-SFHVURJKSA-N 1 0 348.462 3.196 20 10 EGCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1CCCCC1 ZINC000920278476 1322158640 /nfs/dbraw/zinc/15/86/40/1322158640.db2.gz NKNKQUDAXQEGBR-FQEVSTJZSA-N 1 0 343.515 3.414 20 10 EGCDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000850366752 1322234181 /nfs/dbraw/zinc/23/41/81/1322234181.db2.gz JFQPVDHTWVGTCH-INIZCTEOSA-N 1 0 335.448 3.082 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CCc2ccoc2)c1O ZINC000850376416 1322236241 /nfs/dbraw/zinc/23/62/41/1322236241.db2.gz IEFKUZUUWHYZDX-UHFFFAOYSA-N 1 0 326.190 3.089 20 10 EGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000850407423 1322240666 /nfs/dbraw/zinc/24/06/66/1322240666.db2.gz HLDGSFPDTUYTEV-HXUWFJFHSA-N 1 0 332.488 3.208 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000850417405 1322242946 /nfs/dbraw/zinc/24/29/46/1322242946.db2.gz WBKYKWPHADSBCW-ZDUSSCGKSA-N 1 0 338.448 3.136 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000850417404 1322243104 /nfs/dbraw/zinc/24/31/04/1322243104.db2.gz WBKYKWPHADSBCW-CYBMUJFWSA-N 1 0 338.448 3.136 20 10 EGCDRO CC[NH+](CC)C[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000921118229 1322258983 /nfs/dbraw/zinc/25/89/83/1322258983.db2.gz MYRCNOBMEVBVGC-MRXNPFEDSA-N 1 0 346.519 3.157 20 10 EGCDRO COC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1cccc(OC)c1 ZINC000850513618 1322260195 /nfs/dbraw/zinc/26/01/95/1322260195.db2.gz HQDYTRXQBLRMEW-SUMWQHHRSA-N 1 0 331.412 3.448 20 10 EGCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(C)cc1O ZINC000850531046 1322262183 /nfs/dbraw/zinc/26/21/83/1322262183.db2.gz GNWCXICDMPTFBR-MRXNPFEDSA-N 1 0 339.501 3.489 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1O ZINC000850558091 1322266966 /nfs/dbraw/zinc/26/69/66/1322266966.db2.gz PUBYWGSVDQGONZ-XJKSGUPXSA-N 1 0 338.879 3.258 20 10 EGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(N(C)C)cc1 ZINC000850562817 1322268858 /nfs/dbraw/zinc/26/88/58/1322268858.db2.gz PGJKPIOZURLMHO-UYAOXDASSA-N 1 0 334.504 3.361 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000850581064 1322273094 /nfs/dbraw/zinc/27/30/94/1322273094.db2.gz UAECXRMMIMPGJG-ABKXIKBNSA-N 1 0 341.329 3.202 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc2c(c1)CC(=O)N2C ZINC000921668694 1322374999 /nfs/dbraw/zinc/37/49/99/1322374999.db2.gz JCXFVSOMZMGHID-CQSZACIVSA-N 1 0 336.435 3.381 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(O)(Cc3ccccn3)CC2)cc1 ZINC000930991036 1329023837 /nfs/dbraw/zinc/02/38/37/1329023837.db2.gz SOVSMQLNFQSSNI-UHFFFAOYSA-N 1 0 339.483 3.107 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1cc(F)c(F)c(F)c1 ZINC000922269160 1322490540 /nfs/dbraw/zinc/49/05/40/1322490540.db2.gz PZVMZMLMFSYWFO-MRXNPFEDSA-N 1 0 337.341 3.252 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)/C=C\C3CC3)C2)cc1C ZINC001023911986 1323019758 /nfs/dbraw/zinc/01/97/58/1323019758.db2.gz AMAGKZRGEFIBTR-IBHIWXBSSA-N 1 0 342.483 3.298 20 10 EGCDRO CCC[N@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1ccccc1O ZINC000851792726 1323090596 /nfs/dbraw/zinc/09/05/96/1323090596.db2.gz RGQTYBUVBXYGQQ-UHFFFAOYSA-N 1 0 333.819 3.291 20 10 EGCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924708058 1323125344 /nfs/dbraw/zinc/12/53/44/1323125344.db2.gz OJNQREWZTSXTME-INIZCTEOSA-N 1 0 327.497 3.356 20 10 EGCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924761352 1323149445 /nfs/dbraw/zinc/14/94/45/1323149445.db2.gz UKBRRBDFGUBKJW-AWEZNQCLSA-N 1 0 343.471 3.351 20 10 EGCDRO COc1cc([C@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000924908667 1323208301 /nfs/dbraw/zinc/20/83/01/1323208301.db2.gz XERCEVWKDHTWEH-ZDUSSCGKSA-N 1 0 331.416 3.011 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000852776122 1323240152 /nfs/dbraw/zinc/24/01/52/1323240152.db2.gz JYUWIOZKGAXNDJ-UHFFFAOYSA-N 1 0 337.467 3.408 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C2(CF)CC2)cc1C ZINC001025079919 1323883458 /nfs/dbraw/zinc/88/34/58/1323883458.db2.gz YJMZGTJFMYKBRH-KRWDZBQOSA-N 1 0 348.462 3.224 20 10 EGCDRO Cc1cc(C(=O)CN(C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(C)cc1 ZINC000859967845 1329120561 /nfs/dbraw/zinc/12/05/61/1329120561.db2.gz OCYIQQRLMGGAJG-IZAXUBKRSA-N 1 0 340.467 3.288 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1OC ZINC000853572220 1325126522 /nfs/dbraw/zinc/12/65/22/1325126522.db2.gz QNCVZRURFMCACS-RHSMWYFYSA-N 1 0 335.444 3.191 20 10 EGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)C3([NH+](C)C)CC3)cc2Cl)C1 ZINC000854345605 1325250393 /nfs/dbraw/zinc/25/03/93/1325250393.db2.gz ZYTXETZSIFYGMV-AWEZNQCLSA-N 1 0 349.906 3.287 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000857068399 1325567841 /nfs/dbraw/zinc/56/78/41/1325567841.db2.gz SGIOGVHAKIDBOJ-OCCSQVGLSA-N 1 0 330.350 3.073 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926612662 1327634991 /nfs/dbraw/zinc/63/49/91/1327634991.db2.gz QPBZRBFEVDHAFN-CVEARBPZSA-N 1 0 341.455 3.276 20 10 EGCDRO OCC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862396867 1329482531 /nfs/dbraw/zinc/48/25/31/1329482531.db2.gz BJTLPRYEKLFQEW-GFCCVEGCSA-N 1 0 328.250 3.139 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C)oc3C)C2)cc1C ZINC000966901155 1328462441 /nfs/dbraw/zinc/46/24/41/1328462441.db2.gz GEGNJXLGWNXWLY-QGZVFWFLSA-N 1 0 342.439 3.218 20 10 EGCDRO CC(C)[N@@H+]1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000862211021 1329466019 /nfs/dbraw/zinc/46/60/19/1329466019.db2.gz AKZRXCHJCKDFRU-UHFFFAOYSA-N 1 0 327.266 3.071 20 10 EGCDRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000862476084 1329489443 /nfs/dbraw/zinc/48/94/43/1329489443.db2.gz HPQCCFKTZDCUKZ-KBPBESRZSA-N 1 0 327.371 3.157 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2ccccc21 ZINC000862536309 1329493975 /nfs/dbraw/zinc/49/39/75/1329493975.db2.gz GZYKOVASAXCSBF-MRXNPFEDSA-N 1 0 331.799 3.318 20 10 EGCDRO C[C@H](C[N@H+](C)Cc1cc(Cl)ccc1O)NC(=O)OC(C)(C)C ZINC000862540402 1329494087 /nfs/dbraw/zinc/49/40/87/1329494087.db2.gz DYPJONQWAKHGNO-LLVKDONJSA-N 1 0 328.840 3.391 20 10 EGCDRO C[C@H](C[N@H+](C)Cc1c(O)cccc1Cl)NC(=O)OC(C)(C)C ZINC000862541481 1329495046 /nfs/dbraw/zinc/49/50/46/1329495046.db2.gz REBYANBRMVJLGX-LLVKDONJSA-N 1 0 328.840 3.391 20 10 EGCDRO COc1cc2c(cc1NC[C@H](O)C[NH+]1CCCC1)oc1ccccc12 ZINC000863556919 1329562734 /nfs/dbraw/zinc/56/27/34/1329562734.db2.gz YYSRIFAWCCBOPO-AWEZNQCLSA-N 1 0 340.423 3.463 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(OC)c(OC)cc2Cl)c1 ZINC000865463779 1329700659 /nfs/dbraw/zinc/70/06/59/1329700659.db2.gz NNHBIQRAKGDNRY-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(CF)CCC3)C[C@H]2C)cc1C ZINC000939164701 1330390289 /nfs/dbraw/zinc/39/02/89/1330390289.db2.gz WXDVIUVZCHGPNI-NVXWUHKLSA-N 1 0 348.462 3.080 20 10 EGCDRO CCCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684749 1336010565 /nfs/dbraw/zinc/01/05/65/1336010565.db2.gz IFIXUNOFOSSNDW-CJNGLKHVSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)=C3CCCC3)C2)cc1C ZINC001018713747 1339709534 /nfs/dbraw/zinc/70/95/34/1339709534.db2.gz PHJNLMHPPQRHAX-KRWDZBQOSA-N 1 0 346.446 3.492 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@]3(C)CC=CCC3)C2)cc1C ZINC001018906461 1339749593 /nfs/dbraw/zinc/74/95/93/1339749593.db2.gz QJGMWBXFGMNPRP-GHTZIAJQSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C(C)(C)F)CC2)cc1C ZINC001034579205 1342625116 /nfs/dbraw/zinc/62/51/16/1342625116.db2.gz PEAVVKDNKDHKMX-WKILWMFISA-N 1 0 336.451 3.269 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)c3ccoc3)CC2)cc1C ZINC001034595834 1342640023 /nfs/dbraw/zinc/64/00/23/1342640023.db2.gz MOWBLYYGYRFWEM-IYARVYRRSA-N 1 0 342.439 3.427 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C=C(C)C)C[C@H]2C)cc1C ZINC001035893908 1343254332 /nfs/dbraw/zinc/25/43/32/1343254332.db2.gz VWNKEHHXDOWQNB-SJLPKXTDSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC=CC3)[C@H](C)C2)cc1C ZINC001044522813 1346355696 /nfs/dbraw/zinc/35/56/96/1346355696.db2.gz JPVCHNBVNUEPRF-VQIMIIECSA-N 1 0 342.483 3.439 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)/C=C(/C)C2CC2)cc1C ZINC001044944545 1346467636 /nfs/dbraw/zinc/46/76/36/1346467636.db2.gz ANNJWOTYNLMKQV-RYBIEJRYSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C(C)(C)F)C2)cc1C ZINC001047672968 1347324957 /nfs/dbraw/zinc/32/49/57/1347324957.db2.gz QSKXEGLPOQOETA-HOCLYGCPSA-N 1 0 336.451 3.078 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(C)(C)C)C[C@H]2C)cc1C ZINC001048447069 1347551803 /nfs/dbraw/zinc/55/18/03/1347551803.db2.gz FPOFRLOSHWKUPQ-WBVHZDCISA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3occc3C)C[C@@H]2C)cc1C ZINC001054388679 1349345334 /nfs/dbraw/zinc/34/53/34/1349345334.db2.gz WQFZYJIXKCLIGA-RDJZCZTQSA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)CCC3CC3)C[C@@H]2C)cc1C ZINC001054483411 1349371649 /nfs/dbraw/zinc/37/16/49/1349371649.db2.gz DCBMJPGCIONYFR-YJBOKZPZSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(F)=C(C)C)C[C@@H]2C)cc1C ZINC001054559528 1349398314 /nfs/dbraw/zinc/39/83/14/1349398314.db2.gz KEIDRCFMEJGWRG-HOCLYGCPSA-N 1 0 334.435 3.204 20 10 EGCDRO CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072103176 1355132310 /nfs/dbraw/zinc/13/23/10/1355132310.db2.gz VGGXEFJRPMUBNU-BBRMVZONSA-N 1 0 345.447 3.232 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C3CCC3)C[C@H]2C)cc1C ZINC001082586638 1358059652 /nfs/dbraw/zinc/05/96/52/1358059652.db2.gz DWDJRJKWTFBPBV-JTDSTZFVSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccccc3)C2)cc1C ZINC001086295816 1359058907 /nfs/dbraw/zinc/05/89/07/1359058907.db2.gz DHTGRSWOUIKZHG-UAPYVXQJSA-N 1 0 338.451 3.302 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001086336091 1359070152 /nfs/dbraw/zinc/07/01/52/1359070152.db2.gz NWQGRIXGSRLYRP-WJVFMTCISA-N 1 0 342.483 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[C@@H](F)C3)C2)cc1C ZINC001086459713 1359104277 /nfs/dbraw/zinc/10/42/77/1359104277.db2.gz VYDQOOSCGQMFDJ-FJIDUMEYSA-N 1 0 348.462 3.126 20 10 EGCDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC(C)(C)C1 ZINC001089565970 1360513189 /nfs/dbraw/zinc/51/31/89/1360513189.db2.gz FOBVMEOZZDIUCZ-OAHLLOKOSA-N 1 0 345.447 3.089 20 10 EGCDRO CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001099352443 1363767717 /nfs/dbraw/zinc/76/77/17/1363767717.db2.gz RYPZRFNTHCSJEB-PXNSSMCTSA-N 1 0 330.472 3.132 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H](C)C3CCC3)C2)cc1C ZINC001100438813 1364114934 /nfs/dbraw/zinc/11/49/34/1364114934.db2.gz CNLUORLUMYROFC-LSJNQWAISA-N 1 0 344.499 3.424 20 10 EGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001324731636 1387755503 /nfs/dbraw/zinc/75/55/03/1387755503.db2.gz SHILJMMMQPKHSO-QGZVFWFLSA-N 1 0 326.444 3.358 20 10 EGCDRO COc1ccc(N2CC[NH+](CCc3ccccc3)CC2)c(OC)c1 ZINC001201610187 1369589420 /nfs/dbraw/zinc/58/94/20/1369589420.db2.gz QPJZZOOHLLIKBY-UHFFFAOYSA-N 1 0 326.440 3.069 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)CCCF)C23CCC3)cc1C ZINC001203290710 1370063945 /nfs/dbraw/zinc/06/39/45/1370063945.db2.gz XMYWCIOMJKOKCT-MSOLQXFVSA-N 1 0 348.462 3.270 20 10 EGCDRO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3ccccc3O)C2)C1 ZINC001203551691 1370166514 /nfs/dbraw/zinc/16/65/14/1370166514.db2.gz KMAHCRRFMZQDCJ-AWEZNQCLSA-N 1 0 332.444 3.081 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)c1O ZINC001203613894 1370187997 /nfs/dbraw/zinc/18/79/97/1370187997.db2.gz ITVGQTGFPHHQTP-UHFFFAOYSA-N 1 0 348.393 3.391 20 10 EGCDRO COc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001203622324 1370190153 /nfs/dbraw/zinc/19/01/53/1370190153.db2.gz YCOGZMLPXSZMOJ-HZPDHXFCSA-N 1 0 344.480 3.026 20 10 EGCDRO COc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(O)c1 ZINC001203627536 1370192399 /nfs/dbraw/zinc/19/23/99/1370192399.db2.gz HVXYQYAQTXWOKO-UHFFFAOYSA-N 1 0 346.858 3.372 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)c(C)c1 ZINC001203634767 1370195324 /nfs/dbraw/zinc/19/53/24/1370195324.db2.gz URNBYHVKNLIEBO-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001203655774 1370203570 /nfs/dbraw/zinc/20/35/70/1370203570.db2.gz CWDYPBYNHKVGRM-KBPBESRZSA-N 1 0 349.887 3.066 20 10 EGCDRO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203659354 1370205636 /nfs/dbraw/zinc/20/56/36/1370205636.db2.gz SLKLQLJLDQSRCM-SFHVURJKSA-N 1 0 336.863 3.413 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001203664277 1370207400 /nfs/dbraw/zinc/20/74/00/1370207400.db2.gz VGZJJUGYXCEJGT-UHFFFAOYSA-N 1 0 326.843 3.444 20 10 EGCDRO Cc1cc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC001203665327 1370208354 /nfs/dbraw/zinc/20/83/54/1370208354.db2.gz GSHZMQMCTBIHJK-OAHLLOKOSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1cccc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665626 1370208824 /nfs/dbraw/zinc/20/88/24/1370208824.db2.gz PZPONMOLAJDAOU-AWEZNQCLSA-N 1 0 334.803 3.103 20 10 EGCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)n1 ZINC001203680350 1370216397 /nfs/dbraw/zinc/21/63/97/1370216397.db2.gz QOBUPMPGYNKDIJ-ZDUSSCGKSA-N 1 0 331.416 3.116 20 10 EGCDRO CN(C)c1ccc(CN2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001203931033 1370319170 /nfs/dbraw/zinc/31/91/70/1370319170.db2.gz LQEIEXUPPZVTHG-ZWKOTPCHSA-N 1 0 345.487 3.336 20 10 EGCDRO CC[C@@H]1[N@H+](Cc2ccc(N(C)C)cc2)CCC[C@]12CCC(=O)N2C ZINC001203931416 1370319748 /nfs/dbraw/zinc/31/97/48/1370319748.db2.gz HGVLZIWDDMXSME-ICSRJNTNSA-N 1 0 329.488 3.118 20 10 EGCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203935290 1370321722 /nfs/dbraw/zinc/32/17/22/1370321722.db2.gz BRWPYRLDJYCWKF-IBGZPJMESA-N 1 0 341.455 3.200 20 10 EGCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203935824 1370322428 /nfs/dbraw/zinc/32/24/28/1370322428.db2.gz FCCJJBOSWSKBHE-GOSISDBHSA-N 1 0 341.455 3.200 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)cc1 ZINC001203943714 1370324277 /nfs/dbraw/zinc/32/42/77/1370324277.db2.gz FTIJUPQTYIBSOE-FQEVSTJZSA-N 1 0 331.504 3.364 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CC12CC2 ZINC001204240934 1370418786 /nfs/dbraw/zinc/41/87/86/1370418786.db2.gz MBMLWCOXLXETEM-SFHVURJKSA-N 1 0 338.451 3.291 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)[C@H](c2ccccc2)C1 ZINC001204277699 1370430204 /nfs/dbraw/zinc/43/02/04/1370430204.db2.gz IOPQWMJAPMQSNB-QAPCUYQASA-N 1 0 341.407 3.224 20 10 EGCDRO Oc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(O)c1 ZINC001204279172 1370430370 /nfs/dbraw/zinc/43/03/70/1370430370.db2.gz SBWMVHANWYFFEG-UHFFFAOYSA-N 1 0 325.408 3.162 20 10 EGCDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204277848 1370430457 /nfs/dbraw/zinc/43/04/57/1370430457.db2.gz MHOSEEXHCVRUME-SFHVURJKSA-N 1 0 326.440 3.194 20 10 EGCDRO Cc1cccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001204320402 1370442627 /nfs/dbraw/zinc/44/26/27/1370442627.db2.gz XKONVLWBRJLTEZ-UHFFFAOYSA-N 1 0 336.483 3.312 20 10 EGCDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)c(OC)c2)c1 ZINC001204346702 1370449753 /nfs/dbraw/zinc/44/97/53/1370449753.db2.gz WJENBERPBHGBLZ-MRXNPFEDSA-N 1 0 329.396 3.452 20 10 EGCDRO COc1cc(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc(O)c1O ZINC001204349602 1370450506 /nfs/dbraw/zinc/45/05/06/1370450506.db2.gz VFPDYIQWWUAZBL-UHFFFAOYSA-N 1 0 329.396 3.192 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)NCCC4)CC2)cc1 ZINC001204622004 1370532281 /nfs/dbraw/zinc/53/22/81/1370532281.db2.gz WAOJBPUPQRFQCE-UHFFFAOYSA-N 1 0 337.467 3.376 20 10 EGCDRO CC(C)(C)[NH2+]Cc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001204699183 1370548669 /nfs/dbraw/zinc/54/86/69/1370548669.db2.gz FVKPKIVCXVZJRX-UHFFFAOYSA-N 1 0 347.484 3.255 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])CC[C@H]1C[NH3+] ZINC001205638773 1370822876 /nfs/dbraw/zinc/82/28/76/1370822876.db2.gz RVPLFJFDIPLOAI-MNOVXSKESA-N 1 0 345.256 3.101 20 10 EGCDRO COc1cccc(C[NH2+]CCN2c3ccccc3CC[C@H]2C)c1O ZINC001116488050 1370922979 /nfs/dbraw/zinc/92/29/79/1370922979.db2.gz KJVUIBORYHBXSC-OAHLLOKOSA-N 1 0 326.440 3.332 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCS(=O)(=O)c1ccccc1 ZINC001116565397 1370937364 /nfs/dbraw/zinc/93/73/64/1370937364.db2.gz QVLZJIYOMJANHB-HOCLYGCPSA-N 1 0 345.464 3.312 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206025814 1370942369 /nfs/dbraw/zinc/94/23/69/1370942369.db2.gz PJOMKXCHGXGBET-OLZOCXBDSA-N 1 0 341.293 3.270 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCOCC(F)(F)C(F)F)cc1F ZINC001118804947 1371233275 /nfs/dbraw/zinc/23/32/75/1371233275.db2.gz SDIYDJUOQDXQAN-UHFFFAOYSA-N 1 0 344.299 3.037 20 10 EGCDRO CC/C=C(\C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207566171 1371437360 /nfs/dbraw/zinc/43/73/60/1371437360.db2.gz OETRAYCTYVFTNA-APSGNOSNSA-N 1 0 330.472 3.441 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2F)c(O)c1OC ZINC001120039077 1371465894 /nfs/dbraw/zinc/46/58/94/1371465894.db2.gz AKFQJIYZBUSIDY-UHFFFAOYSA-N 1 0 325.767 3.492 20 10 EGCDRO CC[C@@H](F)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(OC)c(C)c1)C2 ZINC001121555547 1372008141 /nfs/dbraw/zinc/00/81/41/1372008141.db2.gz CVZPDYITGGADFS-RSXKDLDNSA-N 1 0 348.462 3.269 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)cc1 ZINC001209520127 1372127791 /nfs/dbraw/zinc/12/77/91/1372127791.db2.gz NSLBEAMJWPONCO-UHFFFAOYSA-N 1 0 339.439 3.169 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3c(C)[nH]c4ncccc34)CC2)cc1 ZINC001209586448 1372144043 /nfs/dbraw/zinc/14/40/43/1372144043.db2.gz BWTXVWLBJLNJGF-UHFFFAOYSA-N 1 0 336.439 3.202 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC001122025878 1372156062 /nfs/dbraw/zinc/15/60/62/1372156062.db2.gz KOLWCFQKMIIFAU-IBGZPJMESA-N 1 0 343.515 3.271 20 10 EGCDRO CCCCN(CCCC)c1ccc(CN2CC(C[NH2+]C)C2)c(O)c1 ZINC001210561172 1372378988 /nfs/dbraw/zinc/37/89/88/1372378988.db2.gz HVPHFCIDLVUONC-UHFFFAOYSA-N 1 0 333.520 3.450 20 10 EGCDRO CC(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211347384 1372537590 /nfs/dbraw/zinc/53/75/90/1372537590.db2.gz SLLKCZGRQDMXEM-INIZCTEOSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC(C)=C(C)C2)cc1C ZINC001128038883 1373211273 /nfs/dbraw/zinc/21/12/73/1373211273.db2.gz YZDHJPXHFNRPOC-SFHVURJKSA-N 1 0 330.472 3.346 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C(C)C)nc2)cc1C ZINC001129406560 1373380621 /nfs/dbraw/zinc/38/06/21/1373380621.db2.gz VTWODRFKSQQTJK-UHFFFAOYSA-N 1 0 341.455 3.042 20 10 EGCDRO Cc1cccc(OC[C@@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001218358380 1373603197 /nfs/dbraw/zinc/60/31/97/1373603197.db2.gz RTUMSHNUBSIQRD-QGZVFWFLSA-N 1 0 326.440 3.251 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385036 1373831575 /nfs/dbraw/zinc/83/15/75/1373831575.db2.gz DFUPAGWJPBNPAB-MRXNPFEDSA-N 1 0 339.277 3.263 20 10 EGCDRO CCc1ccccc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133033616 1375726168 /nfs/dbraw/zinc/72/61/68/1375726168.db2.gz FNGXOZPHFVOXDD-UHFFFAOYSA-N 1 0 326.440 3.086 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(F)F)cc1C ZINC001133490993 1376038654 /nfs/dbraw/zinc/03/86/54/1376038654.db2.gz KZQYFMMFWGBREG-QWHCGFSZSA-N 1 0 328.403 3.032 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1O ZINC001231592855 1376273094 /nfs/dbraw/zinc/27/30/94/1376273094.db2.gz KZWNVQZZTDRDNG-RDJZCZTQSA-N 1 0 343.496 3.254 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c1O ZINC001231592211 1376273555 /nfs/dbraw/zinc/27/35/55/1376273555.db2.gz GHPUELFBGOYICI-RBUKOAKNSA-N 1 0 338.451 3.324 20 10 EGCDRO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231634410 1376287392 /nfs/dbraw/zinc/28/73/92/1376287392.db2.gz MEIDIVKYAGKUOV-CYBMUJFWSA-N 1 0 329.396 3.105 20 10 EGCDRO Cc1cc(C)c(C[NH+]2CCN(c3nccc4occc43)CC2)c(O)c1 ZINC001231846146 1376325145 /nfs/dbraw/zinc/32/51/45/1376325145.db2.gz GVERFFJKSXVKCS-UHFFFAOYSA-N 1 0 337.423 3.472 20 10 EGCDRO Cc1cc(C)c(C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)c(O)c1 ZINC001231845077 1376325587 /nfs/dbraw/zinc/32/55/87/1376325587.db2.gz UGTWJEIMWQRXJH-GOSISDBHSA-N 1 0 342.483 3.280 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001231845284 1376325693 /nfs/dbraw/zinc/32/56/93/1376325693.db2.gz XBPVMHGBZKNILR-RDJZCZTQSA-N 1 0 346.471 3.450 20 10 EGCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231866321 1376329390 /nfs/dbraw/zinc/32/93/90/1376329390.db2.gz CSCSZHROYQFULI-CQSZACIVSA-N 1 0 338.879 3.434 20 10 EGCDRO CCc1nc(C2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)no1 ZINC001232262870 1376426548 /nfs/dbraw/zinc/42/65/48/1376426548.db2.gz ULWXHZHBOFTLQJ-UHFFFAOYSA-N 1 0 337.807 3.076 20 10 EGCDRO Cc1ccnc(O[C@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3O)C2)n1 ZINC001233287337 1376604703 /nfs/dbraw/zinc/60/47/03/1376604703.db2.gz LAFXRBYZLSMZRL-KRWDZBQOSA-N 1 0 341.455 3.441 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC001233285219 1376604716 /nfs/dbraw/zinc/60/47/16/1376604716.db2.gz XSRJONZNAWKPQG-UHFFFAOYSA-N 1 0 339.483 3.403 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1O ZINC001233289996 1376606686 /nfs/dbraw/zinc/60/66/86/1376606686.db2.gz BZLIRIPEWCBUQD-AWEZNQCLSA-N 1 0 333.762 3.054 20 10 EGCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)no1 ZINC001233452001 1376649204 /nfs/dbraw/zinc/64/92/04/1376649204.db2.gz HLMFTPRSQFWPMU-GFCCVEGCSA-N 1 0 341.333 3.482 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1O ZINC001233486376 1376652405 /nfs/dbraw/zinc/65/24/05/1376652405.db2.gz KZBWQJBGRXOWSN-AWEZNQCLSA-N 1 0 331.387 3.397 20 10 EGCDRO CC1(C)C=Cc2c(O)c(CN(C3CC3)[C@H]3CCC[NH2+]C3)ccc2O1 ZINC001236240123 1376944832 /nfs/dbraw/zinc/94/48/32/1376944832.db2.gz KOZHWOXIPHXRDI-INIZCTEOSA-N 1 0 328.456 3.293 20 10 EGCDRO CC1(C)C=Cc2c(O)c(CN(C3CC3)[C@@H]3CCC[NH2+]C3)ccc2O1 ZINC001236240124 1376944977 /nfs/dbraw/zinc/94/49/77/1376944977.db2.gz KOZHWOXIPHXRDI-MRXNPFEDSA-N 1 0 328.456 3.293 20 10 EGCDRO Cc1cc(O)c(C[N@H+](C)CC2CCOCC2)cc1Br ZINC001237675840 1376982501 /nfs/dbraw/zinc/98/25/01/1376982501.db2.gz BWQRESFLMGBBDY-UHFFFAOYSA-N 1 0 328.250 3.322 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(O)c(OC)c1 ZINC001237675223 1376983380 /nfs/dbraw/zinc/98/33/80/1376983380.db2.gz CBXVSEQPOVTEDS-INIZCTEOSA-N 1 0 347.386 3.202 20 10 EGCDRO CCc1ccc(C[N@H+](C)Cc2ccc(CC(=O)OC)cc2O)cc1 ZINC001249208627 1377073055 /nfs/dbraw/zinc/07/30/55/1377073055.db2.gz ZDUOLCHTWYUXRZ-UHFFFAOYSA-N 1 0 327.424 3.302 20 10 EGCDRO COC(=O)Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)c(O)c1 ZINC001249207913 1377073250 /nfs/dbraw/zinc/07/32/50/1377073250.db2.gz MFOLNQCMOLCAPN-AWEZNQCLSA-N 1 0 343.423 3.309 20 10 EGCDRO O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137834936 1377625495 /nfs/dbraw/zinc/62/54/95/1377625495.db2.gz ZJWDTJMTYJYLCB-GOSISDBHSA-N 1 0 346.427 3.222 20 10 EGCDRO [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001137834425 1377626112 /nfs/dbraw/zinc/62/61/12/1377626112.db2.gz GIZZFXYKYSWOLS-HNAYVOBHSA-N 1 0 335.419 3.081 20 10 EGCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137859145 1377632666 /nfs/dbraw/zinc/63/26/66/1377632666.db2.gz KRVWFOXZFMVVAB-HXUWFJFHSA-N 1 0 326.440 3.479 20 10 EGCDRO FC1CN(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C1 ZINC001138219859 1377690911 /nfs/dbraw/zinc/69/09/11/1377690911.db2.gz RKNBQEHOXDJALW-UHFFFAOYSA-N 1 0 331.479 3.295 20 10 EGCDRO c1cnc(O[C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)nc1 ZINC001138222027 1377690922 /nfs/dbraw/zinc/69/09/22/1377690922.db2.gz BRPWHKAIUOPLMI-IBGZPJMESA-N 1 0 338.455 3.120 20 10 EGCDRO c1cnc(O[C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC001138222441 1377691144 /nfs/dbraw/zinc/69/11/44/1377691144.db2.gz XUOUGWSMWTUYSE-IBGZPJMESA-N 1 0 338.455 3.120 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138336881 1377704796 /nfs/dbraw/zinc/70/47/96/1377704796.db2.gz HJHNAOMKFDNUSN-AWEZNQCLSA-N 1 0 340.389 3.475 20 10 EGCDRO CN1CCCc2cc(C[NH+]3CCN(c4cccc(O)c4)CC3)ccc21 ZINC001138356148 1377708698 /nfs/dbraw/zinc/70/86/98/1377708698.db2.gz IRANZTCVLDNMBN-UHFFFAOYSA-N 1 0 337.467 3.097 20 10 EGCDRO CN1CCCc2cc(C[N@@H+]3CCCN(c4ccccn4)CC3)ccc21 ZINC001138354996 1377708832 /nfs/dbraw/zinc/70/88/32/1377708832.db2.gz XWWZFQSWIJOGKJ-UHFFFAOYSA-N 1 0 336.483 3.176 20 10 EGCDRO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCCN4C)C2)nc1 ZINC001138359024 1377709295 /nfs/dbraw/zinc/70/92/95/1377709295.db2.gz HPKZIYUSBMHBOX-LJQANCHMSA-N 1 0 337.467 3.426 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCc3cnccc3C2)c(OC)c1 ZINC001138387724 1377714183 /nfs/dbraw/zinc/71/41/83/1377714183.db2.gz JGTZOFHBXDQOHG-UHFFFAOYSA-N 1 0 325.456 3.495 20 10 EGCDRO C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138675943 1377766366 /nfs/dbraw/zinc/76/63/66/1377766366.db2.gz RBGMGHSLPINUFX-ZDUSSCGKSA-N 1 0 339.277 3.270 20 10 EGCDRO COc1cc(CN2CCC[C@@H]2c2cc(C)on2)cc(C[NH+](C)C)c1O ZINC001139253527 1377857867 /nfs/dbraw/zinc/85/78/67/1377857867.db2.gz XCYIPSLMNUZSRW-QGZVFWFLSA-N 1 0 345.443 3.096 20 10 EGCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139670868 1377930865 /nfs/dbraw/zinc/93/08/65/1377930865.db2.gz BQTUILVVSKESGJ-VQTJNVASSA-N 1 0 332.488 3.079 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)ccc1N(C)C ZINC001139671785 1377931036 /nfs/dbraw/zinc/93/10/36/1377931036.db2.gz LKFNJMWQKOESRR-IBGZPJMESA-N 1 0 329.488 3.038 20 10 EGCDRO Cc1cc(O[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)ncn1 ZINC001139674505 1377931460 /nfs/dbraw/zinc/93/14/60/1377931460.db2.gz TZAFWJYNABOOPI-GOSISDBHSA-N 1 0 340.471 3.203 20 10 EGCDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)ccn1 ZINC001139673501 1377931487 /nfs/dbraw/zinc/93/14/87/1377931487.db2.gz DCZKSYHPKZAPKA-SFHVURJKSA-N 1 0 341.455 3.118 20 10 EGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140053921 1377996821 /nfs/dbraw/zinc/99/68/21/1377996821.db2.gz FBCFWGNGXDIRCJ-XJKSGUPXSA-N 1 0 347.459 3.084 20 10 EGCDRO Oc1ccc(F)cc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001140060443 1377998394 /nfs/dbraw/zinc/99/83/94/1377998394.db2.gz WBNOYUNYGCJVGW-VQIMIIECSA-N 1 0 326.415 3.238 20 10 EGCDRO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140060311 1377998497 /nfs/dbraw/zinc/99/84/97/1377998497.db2.gz VDYMAGZGKYODPA-DOMZBBRYSA-N 1 0 338.423 3.409 20 10 EGCDRO CC(=O)N1CCCCC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140179416 1378026299 /nfs/dbraw/zinc/02/62/99/1378026299.db2.gz KCJBZEHSJJHOGR-UHFFFAOYSA-N 1 0 330.472 3.376 20 10 EGCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140178657 1378026398 /nfs/dbraw/zinc/02/63/98/1378026398.db2.gz SSLURGJDRUFHKU-UHFFFAOYSA-N 1 0 325.408 3.354 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1O ZINC001140178843 1378026514 /nfs/dbraw/zinc/02/65/14/1378026514.db2.gz ZNZSJRIAHVIYOT-UHFFFAOYSA-N 1 0 325.456 3.112 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001140179121 1378026658 /nfs/dbraw/zinc/02/66/58/1378026658.db2.gz CDAWESJOYWABQH-RDJZCZTQSA-N 1 0 346.471 3.450 20 10 EGCDRO Cc1ccc(C)c(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)c1O ZINC001140180862 1378027145 /nfs/dbraw/zinc/02/71/45/1378027145.db2.gz NKCFDTVAALDXJC-UHFFFAOYSA-N 1 0 342.487 3.062 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c1O ZINC001140183336 1378028182 /nfs/dbraw/zinc/02/81/82/1378028182.db2.gz CHXUVZMQNMDJGJ-UHFFFAOYSA-N 1 0 347.846 3.496 20 10 EGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1C ZINC001140342261 1378049931 /nfs/dbraw/zinc/04/99/31/1378049931.db2.gz AISNKSCXWSPEFL-STQMWFEESA-N 1 0 325.836 3.457 20 10 EGCDRO COc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3O)CC2)nc1 ZINC001140464122 1378066595 /nfs/dbraw/zinc/06/65/95/1378066595.db2.gz CCGGKAHLGLXFJP-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1c1ccccc1 ZINC001140468768 1378068839 /nfs/dbraw/zinc/06/88/39/1378068839.db2.gz XDNYFNUICVGCEJ-SJORKVTESA-N 1 0 345.826 3.434 20 10 EGCDRO COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001140468568 1378069095 /nfs/dbraw/zinc/06/90/95/1378069095.db2.gz OWSWKSGONMBECI-OAHLLOKOSA-N 1 0 334.803 3.103 20 10 EGCDRO CC[C@@H]1[N@H+](Cc2ccc(Cl)cc2O)CCC[C@]12CCC(=O)N2C ZINC001140467878 1378069135 /nfs/dbraw/zinc/06/91/35/1378069135.db2.gz YLWJGDZVGFRUHM-WMZOPIPTSA-N 1 0 336.863 3.411 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273284426 1378094671 /nfs/dbraw/zinc/09/46/71/1378094671.db2.gz IELVEVTVVSSORP-INIZCTEOSA-N 1 0 334.435 3.050 20 10 EGCDRO O=C1N(C2CCCC2)CC[C@@]12CCC[N@H+]2Cc1cc(F)ccc1O ZINC001273284143 1378094811 /nfs/dbraw/zinc/09/48/11/1378094811.db2.gz FVJKZGSDCHSECW-IBGZPJMESA-N 1 0 332.419 3.041 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001140619736 1378099675 /nfs/dbraw/zinc/09/96/75/1378099675.db2.gz MDQYEOQTNYEWTK-IYBDPMFKSA-N 1 0 332.444 3.284 20 10 EGCDRO COc1cccc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC001140623283 1378100464 /nfs/dbraw/zinc/10/04/64/1378100464.db2.gz NCBIXUSGWAIJQL-UHFFFAOYSA-N 1 0 326.440 3.027 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC001140660516 1378108355 /nfs/dbraw/zinc/10/83/55/1378108355.db2.gz UQXHCPNKSRNYLD-UHFFFAOYSA-N 1 0 348.462 3.196 20 10 EGCDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140663871 1378108824 /nfs/dbraw/zinc/10/88/24/1378108824.db2.gz QZFQMIOHGJWMPA-SFHVURJKSA-N 1 0 336.451 3.052 20 10 EGCDRO Cc1ccc(C2(O)CC[NH+](Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140741990 1378127992 /nfs/dbraw/zinc/12/79/92/1378127992.db2.gz GJSMXDQZGZPRPK-UHFFFAOYSA-N 1 0 327.424 3.198 20 10 EGCDRO Cc1ccc([C@@]2(C)C[N@H+](Cc3ccc(O)c(C)c3O)CCO2)cc1 ZINC001140748444 1378128842 /nfs/dbraw/zinc/12/88/42/1378128842.db2.gz GPVCAXZIIWZDFA-HXUWFJFHSA-N 1 0 327.424 3.462 20 10 EGCDRO COc1ccccc1[C@@H](O)C[N@H+](Cc1ccc(O)c(C)c1O)C(C)C ZINC001140749436 1378129434 /nfs/dbraw/zinc/12/94/34/1378129434.db2.gz ZMLONSZINWVNSJ-SFHVURJKSA-N 1 0 345.439 3.359 20 10 EGCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855691 1378158580 /nfs/dbraw/zinc/15/85/80/1378158580.db2.gz AJACGYZGMCGJIP-KRWDZBQOSA-N 1 0 348.487 3.404 20 10 EGCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c(O)c1 ZINC001276365885 1378173771 /nfs/dbraw/zinc/17/37/71/1378173771.db2.gz WEXZQVRVZICKTK-HDICACEKSA-N 1 0 325.456 3.186 20 10 EGCDRO CN(C)c1ccc(CN2CC([NH+]3CCC(F)CC3)C2)c(Cl)c1 ZINC001140924013 1378181912 /nfs/dbraw/zinc/18/19/12/1378181912.db2.gz AOCAMPSZZVAFQJ-UHFFFAOYSA-N 1 0 325.859 3.024 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)c(OC)c1 ZINC001140953594 1378191401 /nfs/dbraw/zinc/19/14/01/1378191401.db2.gz CSCKUJKLHDDVDE-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140953738 1378191497 /nfs/dbraw/zinc/19/14/97/1378191497.db2.gz FRLKIKHTIOMQQH-MRXNPFEDSA-N 1 0 328.412 3.148 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140957645 1378192775 /nfs/dbraw/zinc/19/27/75/1378192775.db2.gz GYIHHJWWSALYKL-ZBFHGGJFSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c(O)c1 ZINC001140958266 1378193436 /nfs/dbraw/zinc/19/34/36/1378193436.db2.gz WKIKRVIWDNTFIR-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c(OC)c1 ZINC001141032105 1378214752 /nfs/dbraw/zinc/21/47/52/1378214752.db2.gz SEKXJNGQOWRQMB-CQSZACIVSA-N 1 0 337.313 3.133 20 10 EGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076601 1378232270 /nfs/dbraw/zinc/23/22/70/1378232270.db2.gz WTFVUTOAQAVORT-NRFANRHFSA-N 1 0 342.483 3.161 20 10 EGCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141156241 1378253511 /nfs/dbraw/zinc/25/35/11/1378253511.db2.gz IHYJQGMKXAMFOW-UHFFFAOYSA-N 1 0 329.396 3.053 20 10 EGCDRO C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162810 1378255964 /nfs/dbraw/zinc/25/59/64/1378255964.db2.gz FVUZAPAFTGJSFM-AWEZNQCLSA-N 1 0 330.403 3.116 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001141367771 1378312023 /nfs/dbraw/zinc/31/20/23/1378312023.db2.gz PNKOTILHLBWJRS-LKFCYVNXSA-N 1 0 348.668 3.401 20 10 EGCDRO CCNC(=O)OC1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143112121 1378542578 /nfs/dbraw/zinc/54/25/78/1378542578.db2.gz LIVDHOCPKUZWKG-UHFFFAOYSA-N 1 0 334.460 3.400 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001143366817 1378587427 /nfs/dbraw/zinc/58/74/27/1378587427.db2.gz MKSGMANYYATANO-FQEVSTJZSA-N 1 0 344.499 3.481 20 10 EGCDRO COc1cccc([C@H]2CSCC[N@@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144516083 1378739560 /nfs/dbraw/zinc/73/95/60/1378739560.db2.gz OUDSKCIJSNHGCV-MRXNPFEDSA-N 1 0 347.436 3.102 20 10 EGCDRO CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146662087 1378892540 /nfs/dbraw/zinc/89/25/40/1378892540.db2.gz FHAGHILGLOZQHP-ZIAGYGMSSA-N 1 0 347.463 3.382 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccccc2C)cc1C ZINC001154282503 1380246658 /nfs/dbraw/zinc/24/66/58/1380246658.db2.gz PLHSQBIKAXUWOJ-UHFFFAOYSA-N 1 0 326.440 3.222 20 10 EGCDRO Cc1cccc2c(NCc3ccc(N4CC[NH+](C)CC4)cc3)ncnc12 ZINC001156656086 1380605549 /nfs/dbraw/zinc/60/55/49/1380605549.db2.gz OKKPLPUTFLBVBG-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3nccc4ncsc43)cc2)CC1 ZINC001156658173 1380606031 /nfs/dbraw/zinc/60/60/31/1380606031.db2.gz UPKZXRCRDHXTRJ-UHFFFAOYSA-N 1 0 339.468 3.055 20 10 EGCDRO CC(C)Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC001156659491 1380606330 /nfs/dbraw/zinc/60/63/30/1380606330.db2.gz MRJVTLRZUOGJKW-UHFFFAOYSA-N 1 0 339.487 3.039 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC001157431943 1380890403 /nfs/dbraw/zinc/89/04/03/1380890403.db2.gz BVFFKJKFIVEUAR-LIRRHRJNSA-N 1 0 330.472 3.138 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1C[NH2+]CC2 ZINC001161134649 1382314673 /nfs/dbraw/zinc/31/46/73/1382314673.db2.gz HNSXDSXCUMMUFQ-UHFFFAOYSA-N 1 0 337.467 3.061 20 10 EGCDRO CN(C)c1ccc(/C=C/C(=O)N2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001161205718 1382340279 /nfs/dbraw/zinc/34/02/79/1382340279.db2.gz RGKADLZUOACQFY-VMPITWQZSA-N 1 0 341.499 3.004 20 10 EGCDRO CC(C)[N@H+]1CC=C(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001161972447 1382578301 /nfs/dbraw/zinc/57/83/01/1382578301.db2.gz CBTIKDGVRHZMOH-UHFFFAOYSA-N 1 0 343.431 3.009 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2(C(F)F)CCC2)cc1C ZINC001164509628 1383194643 /nfs/dbraw/zinc/19/46/43/1383194643.db2.gz BFGOLZUTXYXMQM-UHFFFAOYSA-N 1 0 340.414 3.035 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccoc2C2CC2)cc1C ZINC001164604098 1383205565 /nfs/dbraw/zinc/20/55/65/1383205565.db2.gz CLNRBFWUDRXJEF-UHFFFAOYSA-N 1 0 342.439 3.384 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[C@@H]2C)cc1C ZINC001165412868 1383290588 /nfs/dbraw/zinc/29/05/88/1383290588.db2.gz YSQGUYFREUZXPR-YJBOKZPZSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccsc2C)cc1C ZINC001167707557 1383718228 /nfs/dbraw/zinc/71/82/28/1383718228.db2.gz BJHGPOYJIOTDBI-UHFFFAOYSA-N 1 0 346.496 3.212 20 10 EGCDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172855323 1384866145 /nfs/dbraw/zinc/86/61/45/1384866145.db2.gz YIJAJOZTDGDAEK-QGHHPUGFSA-N 1 0 339.794 3.145 20 10 EGCDRO COc1cccc2c1C[C@H]([N@H+](C)Cc1ccc(N(C)C)cc1)CO2 ZINC001173164070 1384928558 /nfs/dbraw/zinc/92/85/58/1384928558.db2.gz ABVQWPANJWGLIL-KRWDZBQOSA-N 1 0 326.440 3.197 20 10 EGCDRO COC(=O)CCCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001173445898 1384971564 /nfs/dbraw/zinc/97/15/64/1384971564.db2.gz PBUUYQVDJDAEEK-MRXNPFEDSA-N 1 0 348.487 3.068 20 10 EGCDRO CN(CCN(C)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(N)cc1 ZINC001173885337 1385025051 /nfs/dbraw/zinc/02/50/51/1385025051.db2.gz UQRASXDLXDBLAQ-UHFFFAOYSA-N 1 0 347.466 3.402 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2ccco2)cc1 ZINC001317715353 1385417867 /nfs/dbraw/zinc/41/78/67/1385417867.db2.gz CBLJAUNUERZCKJ-INIZCTEOSA-N 1 0 343.471 3.263 20 10 EGCDRO CC(C)(C)CCC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237830 1385880381 /nfs/dbraw/zinc/88/03/81/1385880381.db2.gz MVNCDLJYHIVHFV-UHFFFAOYSA-N 1 0 347.463 3.385 20 10 EGCDRO CCOc1ccc(N2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC001319611630 1386209377 /nfs/dbraw/zinc/20/93/77/1386209377.db2.gz GETPCPTVHGHCPV-GOSISDBHSA-N 1 0 331.504 3.082 20 10 EGCDRO CCC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1CCOC ZINC001319728843 1386272764 /nfs/dbraw/zinc/27/27/64/1386272764.db2.gz LPDOZNIIRFSMCO-OAQYLSRUSA-N 1 0 345.531 3.220 20 10 EGCDRO COc1cc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c(O)cc1C ZINC001319927059 1386395423 /nfs/dbraw/zinc/39/54/23/1386395423.db2.gz HKGBGGLANCRYRJ-UHFFFAOYSA-N 1 0 335.835 3.396 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(N2CCCC2)CCOCC1 ZINC001320410737 1386602761 /nfs/dbraw/zinc/60/27/61/1386602761.db2.gz GHKBJOKAEFXRQO-SJORKVTESA-N 1 0 344.499 3.484 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H](C)[NH+]1CCCC1 ZINC001180586966 1386842375 /nfs/dbraw/zinc/84/23/75/1386842375.db2.gz WJSVLVONEIMUAZ-KSSFIOAISA-N 1 0 330.472 3.233 20 10 EGCDRO COC(=O)N1CCC(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001322072057 1387045717 /nfs/dbraw/zinc/04/57/17/1387045717.db2.gz AIEPQHGDPSRCHU-ZFWWWQNUSA-N 1 0 332.444 3.317 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+]C3(c4ccccc4)CC3)cc2F)CC1 ZINC001322650937 1387219784 /nfs/dbraw/zinc/21/97/84/1387219784.db2.gz VERAGHLCNAFYQA-UHFFFAOYSA-N 1 0 339.458 3.356 20 10 EGCDRO C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccncc1)c1ccccc1O ZINC001329880774 1389244638 /nfs/dbraw/zinc/24/46/38/1389244638.db2.gz CROORKDOCYUPOX-CRAIPNDOSA-N 1 0 339.439 3.019 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@@H](CO)CC2CCOCC2)cc1C ZINC001332395875 1390104722 /nfs/dbraw/zinc/10/47/22/1390104722.db2.gz NPGIQFLQYBRHJL-IBGZPJMESA-N 1 0 335.488 3.299 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H]2CC(c3ccc(C)cc3)=NO2)c1O ZINC001334384142 1390529541 /nfs/dbraw/zinc/52/95/41/1390529541.db2.gz LCTDNCJVYHWYSE-QGZVFWFLSA-N 1 0 340.423 3.382 20 10 EGCDRO CN(Cc1ccc([S@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC001342501770 1390619413 /nfs/dbraw/zinc/61/94/13/1390619413.db2.gz BPJRNTDWSGJEKM-DEOSSOPVSA-N 1 0 346.496 3.001 20 10 EGCDRO Nc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC001335286146 1390666596 /nfs/dbraw/zinc/66/65/96/1390666596.db2.gz UHZUEFIYVYVPSL-UHFFFAOYSA-N 1 0 327.403 3.259 20 10 EGCDRO COc1ccc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)c(O)c1OC ZINC001335528947 1390699831 /nfs/dbraw/zinc/69/98/31/1390699831.db2.gz ZUNYTPDNXJMZNL-UHFFFAOYSA-N 1 0 331.387 3.415 20 10 EGCDRO C[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccc(N(C)C)cc1 ZINC001335554830 1390702811 /nfs/dbraw/zinc/70/28/11/1390702811.db2.gz AIYUXHYNWHFQGD-JTDSTZFVSA-N 1 0 346.519 3.363 20 10 EGCDRO COc1c([O-])c(C[NH2+]CCCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC001343922485 1390744271 /nfs/dbraw/zinc/74/42/71/1390744271.db2.gz HOPQKHANWCTLIQ-UHFFFAOYSA-N 1 0 346.383 3.006 20 10 EGCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001347178992 1391019115 /nfs/dbraw/zinc/01/91/15/1391019115.db2.gz MQLSOYSEIRXMSU-LJQANCHMSA-N 1 0 345.487 3.387 20 10 EGCDRO CC(C)CNC(=O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC001347666592 1391108798 /nfs/dbraw/zinc/10/87/98/1391108798.db2.gz OMLPMROHRTVAJN-LJQANCHMSA-N 1 0 340.467 3.428 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001348112896 1391174512 /nfs/dbraw/zinc/17/45/12/1391174512.db2.gz AFDWXZDXHAMHMQ-KBAYOESNSA-N 1 0 330.472 3.251 20 10 EGCDRO c1cc(N2CCCC2)ccc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001350337805 1391449718 /nfs/dbraw/zinc/44/97/18/1391449718.db2.gz GEUUJQGXWLCMCF-UHFFFAOYSA-N 1 0 343.515 3.020 20 10 EGCDRO COC(=O)Nc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001351340191 1391629061 /nfs/dbraw/zinc/62/90/61/1391629061.db2.gz AXEPEIWSVMUGLD-UHFFFAOYSA-N 1 0 349.381 3.499 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2C=CC=CC=C2)cc1C ZINC001753969406 1440527024 /nfs/dbraw/zinc/52/70/24/1440527024.db2.gz IERPARYVRUGYGN-QGZVFWFLSA-N 1 0 340.467 3.286 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001754071192 1440538204 /nfs/dbraw/zinc/53/82/04/1440538204.db2.gz ZDZBPQZLPIFURC-CRAIPNDOSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2CCC(F)CC2)cc1C ZINC001754166356 1440546486 /nfs/dbraw/zinc/54/64/86/1440546486.db2.gz KBPCMRNQSBSXJG-ARJAWSKDSA-N 1 0 348.462 3.294 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1C ZINC001754518848 1440619285 /nfs/dbraw/zinc/61/92/85/1440619285.db2.gz JMAYEEVDUIYCRI-KURKYZTESA-N 1 0 342.483 3.178 20 10 EGCDRO CC(=O)N1CCC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000328600777 258041127 /nfs/dbraw/zinc/04/11/27/258041127.db2.gz ZTZRLTLYZARHNV-UHFFFAOYSA-N 1 0 329.488 3.040 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000271221206 456180804 /nfs/dbraw/zinc/18/08/04/456180804.db2.gz KDRVCMRKSAZCNZ-KRWDZBQOSA-N 1 0 349.272 3.338 20 10 EGCDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183158090 455240893 /nfs/dbraw/zinc/24/08/93/455240893.db2.gz UFPHVWBKWQRQBK-LJQANCHMSA-N 1 0 347.480 3.175 20 10 EGCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000183217470 455252958 /nfs/dbraw/zinc/25/29/58/455252958.db2.gz PMRNZNJRCXPGEK-AWEZNQCLSA-N 1 0 335.467 3.239 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3)CCOCC1)OCO2 ZINC000238123079 455254463 /nfs/dbraw/zinc/25/44/63/455254463.db2.gz WHUDSQCPPVQSKX-UHFFFAOYSA-N 1 0 345.370 3.056 20 10 EGCDRO Cc1cc(Br)cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000158030855 455261635 /nfs/dbraw/zinc/26/16/35/455261635.db2.gz KWBKOMBTDCOSKZ-OAHLLOKOSA-N 1 0 339.277 3.133 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(Cn3cncn3)CC2)cc1F ZINC000189979025 455265043 /nfs/dbraw/zinc/26/50/43/455265043.db2.gz WTVNXYXKAKZQGS-UHFFFAOYSA-N 1 0 345.466 3.176 20 10 EGCDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000070976078 454191077 /nfs/dbraw/zinc/19/10/77/454191077.db2.gz MJPFLMBBXCJVGC-SFHVURJKSA-N 1 0 342.395 3.482 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000071004545 454192441 /nfs/dbraw/zinc/19/24/41/454192441.db2.gz VJCMNLNCUJXFLN-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO Cc1cc(O)c(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1C ZINC000092472247 454571278 /nfs/dbraw/zinc/57/12/78/454571278.db2.gz QFQZKPJCCOTPQT-IBGZPJMESA-N 1 0 329.440 3.019 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCN3CCCCCC3)CC2)cc1 ZINC000123982085 454692384 /nfs/dbraw/zinc/69/23/84/454692384.db2.gz HMAGIQFZMANJNN-UHFFFAOYSA-N 1 0 331.504 3.130 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000162041055 454748182 /nfs/dbraw/zinc/74/81/82/454748182.db2.gz CIUMAJQQOUGLBM-MWLKLMTCSA-N 1 0 348.462 3.126 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176640100 454766764 /nfs/dbraw/zinc/76/67/64/454766764.db2.gz FOTJYAYGLGXLCE-IRXDYDNUSA-N 1 0 333.476 3.187 20 10 EGCDRO C[C@@H]([NH2+]CCCOCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162862391 454805132 /nfs/dbraw/zinc/80/51/32/454805132.db2.gz GCPLFFWZNKDIRX-OAHLLOKOSA-N 1 0 336.451 3.130 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000177262896 454843933 /nfs/dbraw/zinc/84/39/33/454843933.db2.gz DONJPXJYEXNNLT-GFCCVEGCSA-N 1 0 349.818 3.319 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000177875286 454915547 /nfs/dbraw/zinc/91/55/47/454915547.db2.gz KAFNXQGTSJGUDV-APWZRJJASA-N 1 0 329.488 3.386 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000113324095 454922643 /nfs/dbraw/zinc/92/26/43/454922643.db2.gz FUFMPVXLHYJSCE-UHFFFAOYSA-N 1 0 346.858 3.168 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079939 455498266 /nfs/dbraw/zinc/49/82/66/455498266.db2.gz UBWTZEUJLGOBQD-SCLBCKFNSA-N 1 0 332.419 3.493 20 10 EGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000179901483 455095957 /nfs/dbraw/zinc/09/59/57/455095957.db2.gz CXZYIWLNQKGOKN-CQSZACIVSA-N 1 0 344.434 3.229 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCCn3nc(C)cc3C)CC2)cc1 ZINC000156370080 455110922 /nfs/dbraw/zinc/11/09/22/455110922.db2.gz KCJXSOLCQGOKIF-UHFFFAOYSA-N 1 0 342.487 3.157 20 10 EGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Br)ccc1O ZINC000189289101 455170614 /nfs/dbraw/zinc/17/06/14/455170614.db2.gz SJURUNQPXFXZEC-JKOKRWQUSA-N 1 0 328.250 3.356 20 10 EGCDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000180549969 455194058 /nfs/dbraw/zinc/19/40/58/455194058.db2.gz FKWCHRUQILPNEK-CYBMUJFWSA-N 1 0 341.293 3.237 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1C ZINC000237729261 455212704 /nfs/dbraw/zinc/21/27/04/455212704.db2.gz MZNAKCKQNXUWIY-KRWDZBQOSA-N 1 0 325.456 3.213 20 10 EGCDRO C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccccc1O ZINC000183434097 455292978 /nfs/dbraw/zinc/29/29/78/455292978.db2.gz ZXIWJLJQTBCIAR-OAHLLOKOSA-N 1 0 333.453 3.048 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1O ZINC000190306373 455295618 /nfs/dbraw/zinc/29/56/18/455295618.db2.gz KPPFSEILTOTLGE-SMDDNHRTSA-N 1 0 328.250 3.104 20 10 EGCDRO COc1ccc(O)c(C[NH2+]CCCc2nc3ccccc3n2C)c1 ZINC000181346679 455321264 /nfs/dbraw/zinc/32/12/64/455321264.db2.gz FAVZMQOEQVLKSN-UHFFFAOYSA-N 1 0 325.412 3.010 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)Cc2ncc(C)c(OC)c2C)cc1OC ZINC000183781504 455328107 /nfs/dbraw/zinc/32/81/07/455328107.db2.gz JYTDBLFLEIVZFV-UHFFFAOYSA-N 1 0 346.427 3.062 20 10 EGCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699891 455431303 /nfs/dbraw/zinc/43/13/03/455431303.db2.gz SWXDXHPXIDARPV-ZDUSSCGKSA-N 1 0 326.868 3.218 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000184710142 455434244 /nfs/dbraw/zinc/43/42/44/455434244.db2.gz PEWLMCBDRSTFMU-BBRMVZONSA-N 1 0 343.876 3.199 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c(O)c1 ZINC000184894395 455468504 /nfs/dbraw/zinc/46/85/04/455468504.db2.gz CJJBPEILFHVKPY-KRWDZBQOSA-N 1 0 340.467 3.384 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(F)ccc1O ZINC000185054146 455492681 /nfs/dbraw/zinc/49/26/81/455492681.db2.gz WPTPUYIIXUHYGB-CQSZACIVSA-N 1 0 329.419 3.242 20 10 EGCDRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(F)ccc1O ZINC000185054123 455492704 /nfs/dbraw/zinc/49/27/04/455492704.db2.gz WPTPUYIIXUHYGB-AWEZNQCLSA-N 1 0 329.419 3.242 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 ZINC000185063173 455493676 /nfs/dbraw/zinc/49/36/76/455493676.db2.gz GELJSUUDYOYNOH-QGZVFWFLSA-N 1 0 340.467 3.384 20 10 EGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000185123181 455505743 /nfs/dbraw/zinc/50/57/43/455505743.db2.gz YDMREEVWBTWMBX-KGLIPLIRSA-N 1 0 348.468 3.021 20 10 EGCDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(F)ccc1O ZINC000185321976 455540343 /nfs/dbraw/zinc/54/03/43/455540343.db2.gz LXTRSRUNTRNKHO-CYBMUJFWSA-N 1 0 332.423 3.133 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000185375197 455550567 /nfs/dbraw/zinc/55/05/67/455550567.db2.gz DGYYCIHOZYAHKP-CHWSQXEVSA-N 1 0 337.366 3.069 20 10 EGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185486828 455565266 /nfs/dbraw/zinc/56/52/66/455565266.db2.gz PBOVOMAYSGGVQH-DJJJIMSYSA-N 1 0 331.412 3.102 20 10 EGCDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C)cc3O)CC2)ncn1 ZINC000185643027 455588608 /nfs/dbraw/zinc/58/86/08/455588608.db2.gz JWZBVOMAIJFDST-HNNXBMFYSA-N 1 0 340.471 3.373 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](CN(C)C)c2ccc(OC)cc2)c1O ZINC000283803443 455595792 /nfs/dbraw/zinc/59/57/92/455595792.db2.gz AUKFUBCEQVUYNN-SFHVURJKSA-N 1 0 344.455 3.192 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn[nH]c1 ZINC000283943269 455614170 /nfs/dbraw/zinc/61/41/70/455614170.db2.gz FLVWOESSHOHXBI-JSGCOSHPSA-N 1 0 336.386 3.331 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185966766 455664217 /nfs/dbraw/zinc/66/42/17/455664217.db2.gz BVIBZOYTOFGWFP-AWEZNQCLSA-N 1 0 328.412 3.389 20 10 EGCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000271583574 455691649 /nfs/dbraw/zinc/69/16/49/455691649.db2.gz VPWPGLZDQCZNJC-ORAYPTAESA-N 1 0 331.412 3.275 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268774842 455713039 /nfs/dbraw/zinc/71/30/39/455713039.db2.gz AXIBICDCFZFLJT-RBSFLKMASA-N 1 0 346.450 3.024 20 10 EGCDRO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(N2CCOCC2)cc1 ZINC000268826010 455715718 /nfs/dbraw/zinc/71/57/18/455715718.db2.gz UEEYMGJZRITZCM-CQSZACIVSA-N 1 0 342.468 3.083 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1OC ZINC000292745547 455747040 /nfs/dbraw/zinc/74/70/40/455747040.db2.gz HXDFFHBJYWUGDR-ADLMAVQZSA-N 1 0 349.452 3.263 20 10 EGCDRO COC[C@@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293267635 455780731 /nfs/dbraw/zinc/78/07/31/455780731.db2.gz CFIXYZQKZLSTKL-MJGOQNOKSA-N 1 0 329.440 3.053 20 10 EGCDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000293803582 455798263 /nfs/dbraw/zinc/79/82/63/455798263.db2.gz NOZWNKPQMBSCIQ-IBGZPJMESA-N 1 0 328.456 3.283 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCCO1 ZINC000271944539 455801313 /nfs/dbraw/zinc/80/13/13/455801313.db2.gz WJTOJJPXUXESHN-QMTMVMCOSA-N 1 0 336.451 3.271 20 10 EGCDRO CCN(C)C(=O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294461072 455817244 /nfs/dbraw/zinc/81/72/44/455817244.db2.gz WGCRPGVSMSCVPC-GOSISDBHSA-N 1 0 326.440 3.134 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000285305957 455821631 /nfs/dbraw/zinc/82/16/31/455821631.db2.gz WDWBSIJVWCTYPP-ZFWWWQNUSA-N 1 0 326.234 3.298 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)ccc1[N+](=O)[O-] ZINC000278397836 455835389 /nfs/dbraw/zinc/83/53/89/455835389.db2.gz NQOUKVFESVVSGU-NSHDSACASA-N 1 0 348.321 3.472 20 10 EGCDRO Cc1nccnc1CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000295036331 455836614 /nfs/dbraw/zinc/83/66/14/455836614.db2.gz OZYQWRGECXFFQC-SNVBAGLBSA-N 1 0 336.233 3.146 20 10 EGCDRO COCCn1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000269351055 455840898 /nfs/dbraw/zinc/84/08/98/455840898.db2.gz KEAKCDSTOXDVGI-UHFFFAOYSA-N 1 0 342.487 3.152 20 10 EGCDRO O=C(c1ccccc1)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000269353874 455842091 /nfs/dbraw/zinc/84/20/91/455842091.db2.gz LQLPNQIPYXKAQF-UHFFFAOYSA-N 1 0 330.815 3.004 20 10 EGCDRO COc1cccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1O ZINC000278661853 455842445 /nfs/dbraw/zinc/84/24/45/455842445.db2.gz KSVSWWKUYHDJEW-UHFFFAOYSA-N 1 0 341.451 3.218 20 10 EGCDRO CC1(C)C[C@H](O)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000295286630 455845484 /nfs/dbraw/zinc/84/54/84/455845484.db2.gz UBSYQXVZVNRSJU-CYBMUJFWSA-N 1 0 328.250 3.138 20 10 EGCDRO Cc1n[nH]c(CC[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)n1 ZINC000295409883 455849152 /nfs/dbraw/zinc/84/91/52/455849152.db2.gz MZWLPLAUOQFZKY-UHFFFAOYSA-N 1 0 341.484 3.143 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccc(N(C)C)cc1 ZINC000279079858 455857386 /nfs/dbraw/zinc/85/73/86/455857386.db2.gz MLDZSGAQPDVVQB-SFHVURJKSA-N 1 0 326.444 3.347 20 10 EGCDRO CCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](O)c1ccccc1 ZINC000279615362 455869554 /nfs/dbraw/zinc/86/95/54/455869554.db2.gz GDOOGUAOUJWCRP-UZLBHIALSA-N 1 0 345.439 3.401 20 10 EGCDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000279664576 455870095 /nfs/dbraw/zinc/87/00/95/455870095.db2.gz DUDSWRGGLXGGFF-DYESRHJHSA-N 1 0 340.467 3.389 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1nnc3ccc(C(F)(F)F)cn31)CC2 ZINC000296189386 455875585 /nfs/dbraw/zinc/87/55/85/455875585.db2.gz YMUZLCHOQOQLRN-LBPRGKRZSA-N 1 0 348.328 3.231 20 10 EGCDRO COc1cccc(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)c1O ZINC000279885540 455876315 /nfs/dbraw/zinc/87/63/15/455876315.db2.gz UYCHPAJCQAGNBP-UHFFFAOYSA-N 1 0 341.451 3.279 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccc(C)cc1O ZINC000279985222 455879661 /nfs/dbraw/zinc/87/96/61/455879661.db2.gz DXCAXCNEMCNUII-GOSISDBHSA-N 1 0 342.439 3.180 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccc1C ZINC000272238684 455887945 /nfs/dbraw/zinc/88/79/45/455887945.db2.gz KPNFRPOXDHBRFF-WBVHZDCISA-N 1 0 325.456 3.212 20 10 EGCDRO CCCN(Cc1csc(N(CC)C(C)=O)n1)c1ccc(C[NH3+])cc1 ZINC000194976930 455908033 /nfs/dbraw/zinc/90/80/33/455908033.db2.gz KIRFRTPLCVJICC-UHFFFAOYSA-N 1 0 346.500 3.391 20 10 EGCDRO Cc1cccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280196551 455914880 /nfs/dbraw/zinc/91/48/80/455914880.db2.gz HRGNQYZXZFPCLW-CQSZACIVSA-N 1 0 341.329 3.422 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(C)cc1O ZINC000285822132 455922669 /nfs/dbraw/zinc/92/26/69/455922669.db2.gz XFFWWTJIDFQBTM-GOEBONIOSA-N 1 0 346.393 3.004 20 10 EGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296386245 455924200 /nfs/dbraw/zinc/92/42/00/455924200.db2.gz KTRPSXXOGHCHRG-IBGZPJMESA-N 1 0 344.499 3.087 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000280287285 455936558 /nfs/dbraw/zinc/93/65/58/455936558.db2.gz NGYDPLQMQHASSR-GFCCVEGCSA-N 1 0 344.299 3.174 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000195363633 455950570 /nfs/dbraw/zinc/95/05/70/455950570.db2.gz ZKSQYFXPVVXAIT-UHFFFAOYSA-N 1 0 329.488 3.023 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)CCOCC3CC3)cc2)CC1 ZINC000296791953 456038383 /nfs/dbraw/zinc/03/83/83/456038383.db2.gz OGDFAODJXAVBCM-UHFFFAOYSA-N 1 0 332.488 3.160 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000286854930 456054885 /nfs/dbraw/zinc/05/48/85/456054885.db2.gz ASFTVFYNIREUMM-ACJLOTCBSA-N 1 0 332.419 3.493 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc(Br)ccc1O ZINC000287292210 456065594 /nfs/dbraw/zinc/06/55/94/456065594.db2.gz DGAGPKBICWCJSJ-GRYCIOLGSA-N 1 0 328.250 3.478 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cc(Br)ccc1O ZINC000188473638 456068794 /nfs/dbraw/zinc/06/87/94/456068794.db2.gz ILSPTVHYTOTFBL-MFKMUULPSA-N 1 0 343.265 3.062 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(-n2ccnn2)c1 ZINC000287689748 456076667 /nfs/dbraw/zinc/07/66/67/456076667.db2.gz NCLMIHIMTPQFMU-CQSZACIVSA-N 1 0 339.418 3.323 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000288669067 456102557 /nfs/dbraw/zinc/10/25/57/456102557.db2.gz WFPSWSPCZCZHRA-LBPRGKRZSA-N 1 0 334.213 3.421 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2Cc3ccccc3OC[C@H]2C)cc1OC ZINC000272889179 456102682 /nfs/dbraw/zinc/10/26/82/456102682.db2.gz JGBYUAWPUPJBBJ-CYBMUJFWSA-N 1 0 329.396 3.193 20 10 EGCDRO COc1ccc(O)c(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)c1 ZINC000289250086 456118646 /nfs/dbraw/zinc/11/86/46/456118646.db2.gz FDAHZPRSOUGKBO-UHFFFAOYSA-N 1 0 334.460 3.014 20 10 EGCDRO CCOc1cccc(CN(CC[NH+](C)C)Cc2cccs2)c1O ZINC000289512211 456128590 /nfs/dbraw/zinc/12/85/90/456128590.db2.gz UVAHLJAGRJCUPV-UHFFFAOYSA-N 1 0 334.485 3.416 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289587515 456132854 /nfs/dbraw/zinc/13/28/54/456132854.db2.gz BTPNPHNJTZYYTA-ADLFWFRXSA-N 1 0 327.424 3.218 20 10 EGCDRO CC[C@H]([NH2+]Cc1nncn1CC)c1cc(Br)ccc1O ZINC000230971645 456142180 /nfs/dbraw/zinc/14/21/80/456142180.db2.gz GGPFLEPDSYWGAS-LBPRGKRZSA-N 1 0 339.237 3.007 20 10 EGCDRO CCCN(Cc1cc(OC)c(O)c(OC)c1)c1ccc(C[NH3+])cc1 ZINC000289890563 456171083 /nfs/dbraw/zinc/17/10/83/456171083.db2.gz WZAQXXALPAPZEY-UHFFFAOYSA-N 1 0 330.428 3.285 20 10 EGCDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263688839 456192373 /nfs/dbraw/zinc/19/23/73/456192373.db2.gz OFXJGPIIPXJXJJ-CABCVRRESA-N 1 0 326.440 3.452 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000271276006 456201123 /nfs/dbraw/zinc/20/11/23/456201123.db2.gz KWHXOTBEJSOJGT-UYAOXDASSA-N 1 0 327.424 3.025 20 10 EGCDRO COC(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000273408843 456228126 /nfs/dbraw/zinc/22/81/26/456228126.db2.gz PAICACNYKLHITG-CYBMUJFWSA-N 1 0 328.412 3.427 20 10 EGCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273405984 456228615 /nfs/dbraw/zinc/22/86/15/456228615.db2.gz OMZAKWPZULYBFJ-KBXCAEBGSA-N 1 0 345.439 3.410 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1 ZINC000273497403 456234532 /nfs/dbraw/zinc/23/45/32/456234532.db2.gz PMADAZOXZGQLOK-WBVHZDCISA-N 1 0 340.471 3.409 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1O ZINC000273489442 456235470 /nfs/dbraw/zinc/23/54/70/456235470.db2.gz OAUOLOSIMRZBPI-SUMWQHHRSA-N 1 0 344.842 3.497 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000273587811 456239622 /nfs/dbraw/zinc/23/96/22/456239622.db2.gz OFIQUJOBOVSGBC-AWEZNQCLSA-N 1 0 346.471 3.236 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000273624098 456242085 /nfs/dbraw/zinc/24/20/85/456242085.db2.gz ZVGCAPMNSIIUPA-STQMWFEESA-N 1 0 340.423 3.332 20 10 EGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1O ZINC000275543832 456277316 /nfs/dbraw/zinc/27/73/16/456277316.db2.gz MUXJOZDVCBGQME-HOCLYGCPSA-N 1 0 335.835 3.097 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2CN(C(C)=O)C2CC2)c(O)c1 ZINC000275796785 456317163 /nfs/dbraw/zinc/31/71/63/456317163.db2.gz SNVKEJONFDXQNC-SFHVURJKSA-N 1 0 346.471 3.156 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCn4ccnc43)C2)cc1 ZINC000297946569 456330846 /nfs/dbraw/zinc/33/08/46/456330846.db2.gz YMPZGHZHUBNAPN-CJNGLKHVSA-N 1 0 348.397 3.188 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC000290980352 456486367 /nfs/dbraw/zinc/48/63/67/456486367.db2.gz UAOYXIYKSGOKPU-GDBMZVCRSA-N 1 0 332.444 3.081 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000282488745 456529746 /nfs/dbraw/zinc/52/97/46/456529746.db2.gz PPLOWLGHEZOPHG-AWEZNQCLSA-N 1 0 344.377 3.158 20 10 EGCDRO O=C(NCc1ccccc1O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000299468817 456702501 /nfs/dbraw/zinc/70/25/01/456702501.db2.gz CEYQHUSMLKPRCG-SFHVURJKSA-N 1 0 339.439 3.029 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)n2)c1O ZINC000362086133 458029067 /nfs/dbraw/zinc/02/90/67/458029067.db2.gz KROWDIROXACGSY-INIZCTEOSA-N 1 0 327.428 3.181 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000471648305 458707852 /nfs/dbraw/zinc/70/78/52/458707852.db2.gz LFJXYSAZYQQXLQ-INIZCTEOSA-N 1 0 344.503 3.262 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000515467530 458809717 /nfs/dbraw/zinc/80/97/17/458809717.db2.gz BLCLOLIKTKXDRU-GOSISDBHSA-N 1 0 338.451 3.154 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491359778 459620056 /nfs/dbraw/zinc/62/00/56/459620056.db2.gz MMYATNHQESHNLY-UHFFFAOYSA-N 1 0 345.450 3.416 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000527796126 459738498 /nfs/dbraw/zinc/73/84/98/459738498.db2.gz IZEYWSGLQNGTJY-HNNXBMFYSA-N 1 0 348.805 3.388 20 10 EGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC000563526348 459765594 /nfs/dbraw/zinc/76/55/94/459765594.db2.gz XGRITNSFRYUBOM-UHFFFAOYSA-N 1 0 345.487 3.133 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cnnn1CC)c1ccc(C(F)(F)F)cc1O ZINC000527912596 459770824 /nfs/dbraw/zinc/77/08/24/459770824.db2.gz FRFRVENKZUEWSN-CYBMUJFWSA-N 1 0 328.338 3.263 20 10 EGCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000179021240 522054872 /nfs/dbraw/zinc/05/48/72/522054872.db2.gz ZGENJBFGRVSIMM-KRWDZBQOSA-N 1 0 325.456 3.084 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+]C3CCC(C)CC3)CC2)cc1 ZINC000726708460 574567596 /nfs/dbraw/zinc/56/75/96/574567596.db2.gz NXRYWKDYYIRYQI-UHFFFAOYSA-N 1 0 345.531 3.376 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000738343572 574592152 /nfs/dbraw/zinc/59/21/52/574592152.db2.gz PUGALCGNKHZTAC-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cnc4ccccc4n3)CC2)cc1 ZINC000727644851 574680380 /nfs/dbraw/zinc/68/03/80/574680380.db2.gz VMBIMVUJBZGJOS-UHFFFAOYSA-N 1 0 348.450 3.397 20 10 EGCDRO C[NH+](C)CCCOc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000730670035 575009440 /nfs/dbraw/zinc/00/94/40/575009440.db2.gz LWNOWUNOBUXTSA-UHFFFAOYSA-N 1 0 343.427 3.044 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000731865478 575213286 /nfs/dbraw/zinc/21/32/86/575213286.db2.gz KVFDKTFOCLOWAT-LJQANCHMSA-N 1 0 329.488 3.120 20 10 EGCDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1=CC(=O)CS1 ZINC000731872331 575214146 /nfs/dbraw/zinc/21/41/46/575214146.db2.gz FNTNINCNQDBXOB-GFCCVEGCSA-N 1 0 336.482 3.157 20 10 EGCDRO CCOCCN1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000732181101 575241767 /nfs/dbraw/zinc/24/17/67/575241767.db2.gz XSDKKCQCCAEADY-UHFFFAOYSA-N 1 0 334.504 3.152 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000733330309 575328721 /nfs/dbraw/zinc/32/87/21/575328721.db2.gz SPDCTENMAHQADV-UHFFFAOYSA-N 1 0 348.830 3.288 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)c1O ZINC000733332377 575329116 /nfs/dbraw/zinc/32/91/16/575329116.db2.gz VEZFDEZSRDGRTR-OAHLLOKOSA-N 1 0 329.396 3.413 20 10 EGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000733800093 575398159 /nfs/dbraw/zinc/39/81/59/575398159.db2.gz GYIPBGZEWPXCAB-FQEVSTJZSA-N 1 0 343.515 3.414 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)c1 ZINC000734003530 575421436 /nfs/dbraw/zinc/42/14/36/575421436.db2.gz NFZOECUSYMKABK-GFCCVEGCSA-N 1 0 329.396 3.023 20 10 EGCDRO C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000736591825 575988194 /nfs/dbraw/zinc/98/81/94/575988194.db2.gz BAKNQDHKOXVYBC-VXMWWYGOSA-N 1 0 347.480 3.359 20 10 EGCDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(Br)cc1O ZINC000756629956 576159980 /nfs/dbraw/zinc/15/99/80/576159980.db2.gz SRSCIBXBWMWFGP-NWDGAFQWSA-N 1 0 327.266 3.147 20 10 EGCDRO COC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000739920209 576520042 /nfs/dbraw/zinc/52/00/42/576520042.db2.gz KLSALRSYEPMWMO-QGZVFWFLSA-N 1 0 326.440 3.245 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000742371024 576774882 /nfs/dbraw/zinc/77/48/82/576774882.db2.gz GCOAYUJPUJIFQR-UHFFFAOYSA-N 1 0 331.504 3.188 20 10 EGCDRO CC(C)(CCO)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742710089 576793784 /nfs/dbraw/zinc/79/37/84/576793784.db2.gz HMEQXXKRIFYCFB-UHFFFAOYSA-N 1 0 335.448 3.083 20 10 EGCDRO Cc1cc(C(=O)NCCCC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000742834776 576796237 /nfs/dbraw/zinc/79/62/37/576796237.db2.gz YIANFNYUMTUPNP-UHFFFAOYSA-N 1 0 327.472 3.474 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825323085 608398828 /nfs/dbraw/zinc/39/88/28/608398828.db2.gz OAYUUUNWPWRKJD-UHFFFAOYSA-N 1 0 341.390 3.124 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000691408755 1298133750 /nfs/dbraw/zinc/13/37/50/1298133750.db2.gz ALEHVCOCNDPWFY-CQSZACIVSA-N 1 0 334.213 3.248 20 10 EGCDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(Br)cc1O ZINC000701096464 1298184464 /nfs/dbraw/zinc/18/44/64/1298184464.db2.gz XQVYOKGYTDARSV-GFCCVEGCSA-N 1 0 327.266 3.119 20 10 EGCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000769410091 1303108704 /nfs/dbraw/zinc/10/87/04/1303108704.db2.gz YDMKTLJTJXOPPO-MAUKXSAKSA-N 1 0 329.488 3.057 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000043065029 1291452291 /nfs/dbraw/zinc/45/22/91/1291452291.db2.gz VBGNKVQNKYFIFE-UHFFFAOYSA-N 1 0 348.535 3.403 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(=O)NC(C)C)cc1 ZINC000061016612 1291957302 /nfs/dbraw/zinc/95/73/02/1291957302.db2.gz RDTUSGORQKVBKT-UHFFFAOYSA-N 1 0 339.483 3.327 20 10 EGCDRO Cc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)s1 ZINC000063824241 1292025490 /nfs/dbraw/zinc/02/54/90/1292025490.db2.gz QAERYSGPMRPWQN-LCYFTJDESA-N 1 0 338.523 3.352 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000066700873 1292127648 /nfs/dbraw/zinc/12/76/48/1292127648.db2.gz HBKMWQICUAOJAF-QGZVFWFLSA-N 1 0 347.503 3.436 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCc1ccccc1 ZINC000076074261 1292418599 /nfs/dbraw/zinc/41/85/99/1292418599.db2.gz IYCKBPIFYKKDMX-MRXNPFEDSA-N 1 0 326.440 3.309 20 10 EGCDRO Cc1cc(C(=O)NCCC[NH+]2CCCCC2)c(C)n1-c1ccccn1 ZINC000077657988 1292478964 /nfs/dbraw/zinc/47/89/64/1292478964.db2.gz GDPADFYJGYIHRN-UHFFFAOYSA-N 1 0 340.471 3.095 20 10 EGCDRO CCOc1cccc(C[N@H+](C)CCOc2ccccc2OC)c1O ZINC000091899875 1292847507 /nfs/dbraw/zinc/84/75/07/1292847507.db2.gz FPAYFGKSIUUBAB-UHFFFAOYSA-N 1 0 331.412 3.310 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC000831656136 1292903740 /nfs/dbraw/zinc/90/37/40/1292903740.db2.gz WQZBXBMZGYZPCH-DLBZAZTESA-N 1 0 325.424 3.113 20 10 EGCDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccn1 ZINC000093338787 1292916630 /nfs/dbraw/zinc/91/66/30/1292916630.db2.gz ABDFQMHSVIZUPL-UHFFFAOYSA-N 1 0 329.419 3.079 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1O ZINC000093499803 1292922752 /nfs/dbraw/zinc/92/27/52/1292922752.db2.gz LTGJHGJDRNBEIE-NXEZZACHSA-N 1 0 346.290 3.489 20 10 EGCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N(CC)CC)cc1)CC2 ZINC000093614341 1292925575 /nfs/dbraw/zinc/92/55/75/1292925575.db2.gz NMZINEFTSLNLSM-UXHICEINSA-N 1 0 346.515 3.285 20 10 EGCDRO Cc1cccc2cc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)oc21 ZINC000832279258 1292980742 /nfs/dbraw/zinc/98/07/42/1292980742.db2.gz HZMHEFOFIVYBFG-QGZVFWFLSA-N 1 0 337.423 3.237 20 10 EGCDRO C/C(=C/C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000832286337 1292982413 /nfs/dbraw/zinc/98/24/13/1292982413.db2.gz YBWGIITYEMQFTN-KWRJMZDGSA-N 1 0 341.430 3.111 20 10 EGCDRO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000103613686 1293010850 /nfs/dbraw/zinc/01/08/50/1293010850.db2.gz UWIJISMSRVRDOU-AWEZNQCLSA-N 1 0 349.475 3.026 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(N2CCOCC2)cc1 ZINC000834534350 1293112568 /nfs/dbraw/zinc/11/25/68/1293112568.db2.gz MIIDKOWHGJAJKX-RLFYNMQTSA-N 1 0 326.444 3.076 20 10 EGCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1c1ccccc1F ZINC000834693189 1293132520 /nfs/dbraw/zinc/13/25/20/1293132520.db2.gz LWFIOKMONQVBJS-HZPDHXFCSA-N 1 0 340.398 3.304 20 10 EGCDRO Cn1c(CC[NH2+]Cc2cc(Cl)ccc2O)nc2c1cccc2F ZINC000113358762 1293148005 /nfs/dbraw/zinc/14/80/05/1293148005.db2.gz JOUAUVADEJVIGD-UHFFFAOYSA-N 1 0 333.794 3.404 20 10 EGCDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834870411 1293159428 /nfs/dbraw/zinc/15/94/28/1293159428.db2.gz HNMDJPQLEWVHSJ-CABCVRRESA-N 1 0 340.895 3.236 20 10 EGCDRO C[C@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1cc2c(cc1O)CCCC2 ZINC000834903892 1293171133 /nfs/dbraw/zinc/17/11/33/1293171133.db2.gz KTSPDQOEDNPWJH-ZDUSSCGKSA-N 1 0 349.438 3.302 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2)c(O)c1C ZINC000834914307 1293176020 /nfs/dbraw/zinc/17/60/20/1293176020.db2.gz MABWCEAVTMGLEA-IAGOWNOFSA-N 1 0 340.467 3.407 20 10 EGCDRO Cc1ccc(CC[NH2+]Cc2cc(Br)cc(C)c2O)nc1 ZINC000835064521 1293197793 /nfs/dbraw/zinc/19/77/93/1293197793.db2.gz FWOHAPCRHKUBJT-UHFFFAOYSA-N 1 0 335.245 3.499 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1 ZINC000835069647 1293198544 /nfs/dbraw/zinc/19/85/44/1293198544.db2.gz HHGIMBRSBIVROD-LJQANCHMSA-N 1 0 335.444 3.345 20 10 EGCDRO COC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122204267 1293404727 /nfs/dbraw/zinc/40/47/27/1293404727.db2.gz CNXYIWWXPYMJIQ-ZDUSSCGKSA-N 1 0 326.868 3.252 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1cccc(Br)c1[O-])c1ccsc1 ZINC000124113465 1293467249 /nfs/dbraw/zinc/46/72/49/1293467249.db2.gz KDHUASUSILXADQ-CQSZACIVSA-N 1 0 342.258 3.214 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)cc(C)c1O)C[C@@H]1CCCO1 ZINC000124566591 1293478868 /nfs/dbraw/zinc/47/88/68/1293478868.db2.gz MPMDKVJTLQXACW-AWEZNQCLSA-N 1 0 328.250 3.464 20 10 EGCDRO CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[NH+](C)C ZINC000129720281 1293632120 /nfs/dbraw/zinc/63/21/20/1293632120.db2.gz FKGXHXBCJUNYNS-IBGZPJMESA-N 1 0 331.504 3.222 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(N(C)C)cc1 ZINC000151026163 1293903616 /nfs/dbraw/zinc/90/36/16/1293903616.db2.gz ABZLVJMJQBVJHT-LJQANCHMSA-N 1 0 325.456 3.353 20 10 EGCDRO CSCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151126876 1293909398 /nfs/dbraw/zinc/90/93/98/1293909398.db2.gz DLOCMAJDSOKRPM-UONOGXRCSA-N 1 0 326.481 3.455 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)CN3CCC[C@@H](C)C3)CC2)cc1 ZINC000151961447 1293946650 /nfs/dbraw/zinc/94/66/50/1293946650.db2.gz VMTUFVLCZNACJW-QZTJIDSGSA-N 1 0 345.531 3.374 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@](C)(OC)C3(C)C)CC2)cc1 ZINC000155150878 1294086405 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LDBSFBWUQHHOLX-AWEZNQCLSA-N 1 0 328.412 3.307 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)c1 ZINC000182415025 1295045152 /nfs/dbraw/zinc/04/51/52/1295045152.db2.gz DRWBPYVFKNKCKW-AWEZNQCLSA-N 1 0 326.396 3.392 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000182436501 1295047150 /nfs/dbraw/zinc/04/71/50/1295047150.db2.gz GELVUFMBZPDIEP-KBPBESRZSA-N 1 0 338.411 3.393 20 10 EGCDRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182431720 1295047468 /nfs/dbraw/zinc/04/74/68/1295047468.db2.gz NSCWMBOBORCRJA-CYBMUJFWSA-N 1 0 344.411 3.089 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2OC)c1 ZINC000182462633 1295050768 /nfs/dbraw/zinc/05/07/68/1295050768.db2.gz KQIVQQSXVOSFCW-CYBMUJFWSA-N 1 0 344.411 3.007 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)c1 ZINC000182674682 1295068356 /nfs/dbraw/zinc/06/83/56/1295068356.db2.gz LFGBNYZNFLWOHG-UHFFFAOYSA-N 1 0 328.456 3.401 20 10 EGCDRO CCC(CC)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000184752253 1295215600 /nfs/dbraw/zinc/21/56/00/1295215600.db2.gz CBURLNKYAQZIPI-UHFFFAOYSA-N 1 0 336.476 3.271 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000184865086 1295225090 /nfs/dbraw/zinc/22/50/90/1295225090.db2.gz WYHXTWGCNKNHAH-SNVBAGLBSA-N 1 0 338.329 3.407 20 10 EGCDRO COc1cccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1O ZINC000185637358 1295276304 /nfs/dbraw/zinc/27/63/04/1295276304.db2.gz BUCGKWLDQSTBPK-UHFFFAOYSA-N 1 0 325.412 3.312 20 10 EGCDRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc2ccccc2c1O ZINC000186185329 1295310365 /nfs/dbraw/zinc/31/03/65/1295310365.db2.gz DAFHASBMLRXFRD-CYBMUJFWSA-N 1 0 333.453 3.021 20 10 EGCDRO O[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC[C@H](C(F)(F)F)C1 ZINC000189626382 1295535384 /nfs/dbraw/zinc/53/53/84/1295535384.db2.gz WORQFYGHHDKWRA-GOEBONIOSA-N 1 0 329.362 3.195 20 10 EGCDRO CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C[NH3+])cc1 ZINC000194977644 1296025488 /nfs/dbraw/zinc/02/54/88/1296025488.db2.gz NIHLIKBDMBZHNU-UHFFFAOYSA-N 1 0 329.400 3.479 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000870971992 1296161663 /nfs/dbraw/zinc/16/16/63/1296161663.db2.gz MTRVTQHSDNGPDO-CTYIDZIISA-N 1 0 331.847 3.215 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000246314727 1296347723 /nfs/dbraw/zinc/34/77/23/1296347723.db2.gz RNCURGPYWOIPCM-IBGZPJMESA-N 1 0 326.440 3.280 20 10 EGCDRO C[C@H](C(=O)NCCCSc1nccs1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246814931 1296370715 /nfs/dbraw/zinc/37/07/15/1296370715.db2.gz RXSRUUCRWJTQCT-JHJVBQTASA-N 1 0 327.519 3.003 20 10 EGCDRO CC(C)c1nsc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000871865912 1296578110 /nfs/dbraw/zinc/57/81/10/1296578110.db2.gz YLKXTLVKBASUKN-UHFFFAOYSA-N 1 0 331.489 3.025 20 10 EGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305170340 1296991028 /nfs/dbraw/zinc/99/10/28/1296991028.db2.gz ZPVCRDWWIKREDK-YZVOILCLSA-N 1 0 338.467 3.110 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000324826881 1297216314 /nfs/dbraw/zinc/21/63/14/1297216314.db2.gz BFZKTGSSUIZAGI-ZDUSSCGKSA-N 1 0 334.460 3.089 20 10 EGCDRO COc1ccc(C[NH2+]CCc2ccc(C)o2)cc1Cn1cccn1 ZINC000873011957 1297222149 /nfs/dbraw/zinc/22/21/49/1297222149.db2.gz LRKXSZZDCCOBEN-UHFFFAOYSA-N 1 0 325.412 3.174 20 10 EGCDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000873195488 1297339926 /nfs/dbraw/zinc/33/99/26/1297339926.db2.gz NCWKHFDSKBRHNL-VLIAUNLRSA-N 1 0 345.439 3.238 20 10 EGCDRO Oc1ccccc1C[NH2+]Cc1cccc(I)c1 ZINC000380102051 1297542983 /nfs/dbraw/zinc/54/29/83/1297542983.db2.gz XNCRPVAVAZNVJS-UHFFFAOYSA-N 1 0 339.176 3.287 20 10 EGCDRO OC[C@@H]([NH2+]Cc1c(O)cccc1Br)C1CCCCC1 ZINC000706808510 1298223330 /nfs/dbraw/zinc/22/33/30/1298223330.db2.gz SPPDHQKTVOZPFM-CQSZACIVSA-N 1 0 328.250 3.186 20 10 EGCDRO CC[NH+](CC)[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000707129846 1298226033 /nfs/dbraw/zinc/22/60/33/1298226033.db2.gz URALPBHBRFQKRR-LBPRGKRZSA-N 1 0 327.266 3.071 20 10 EGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Br)N1CCCCC1 ZINC000706875107 1298226831 /nfs/dbraw/zinc/22/68/31/1298226831.db2.gz NSIDSIYRFLIYAG-GFCCVEGCSA-N 1 0 327.266 3.119 20 10 EGCDRO COC[C@H]1CCCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707146254 1298227374 /nfs/dbraw/zinc/22/73/74/1298227374.db2.gz KWCQLADQVLQCBK-LBPRGKRZSA-N 1 0 328.250 3.403 20 10 EGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Br)CC1(C)OCCO1 ZINC000715908530 1298290321 /nfs/dbraw/zinc/29/03/21/1298290321.db2.gz JTBAZYOATVOTGR-NSHDSACASA-N 1 0 344.249 3.034 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000719557833 1298320877 /nfs/dbraw/zinc/32/08/77/1298320877.db2.gz WJMNOSWNJZVHQA-UHFFFAOYSA-N 1 0 339.258 3.390 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000724951452 1298350651 /nfs/dbraw/zinc/35/06/51/1298350651.db2.gz CHPBFYFGHCRBHS-CHWSQXEVSA-N 1 0 336.432 3.061 20 10 EGCDRO O=C(NCC[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccco1 ZINC000725844445 1298371565 /nfs/dbraw/zinc/37/15/65/1298371565.db2.gz XHMYEROLQBSVGQ-UHFFFAOYSA-N 1 0 336.391 3.172 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000725846958 1298374801 /nfs/dbraw/zinc/37/48/01/1298374801.db2.gz ZUCRJNAFDMJEEN-QGZVFWFLSA-N 1 0 342.439 3.100 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000725887678 1298382241 /nfs/dbraw/zinc/38/22/41/1298382241.db2.gz REFHCDBCNUERFE-IXDOHACOSA-N 1 0 331.504 3.410 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000746105147 1298533261 /nfs/dbraw/zinc/53/32/61/1298533261.db2.gz NWJKEBLWFMAVDK-IRXDYDNUSA-N 1 0 331.504 3.364 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000876563543 1298829616 /nfs/dbraw/zinc/82/96/16/1298829616.db2.gz AEESTHRTWJMQAU-UHFFFAOYSA-N 1 0 342.405 3.422 20 10 EGCDRO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC000876815244 1299009030 /nfs/dbraw/zinc/00/90/30/1299009030.db2.gz VVGPUIGMNXLBAF-HUUCEWRRSA-N 1 0 334.460 3.436 20 10 EGCDRO CCc1ccc([C@@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)cc1 ZINC000748463466 1299014980 /nfs/dbraw/zinc/01/49/80/1299014980.db2.gz RTOWGDBHYRLBME-GOSISDBHSA-N 1 0 341.455 3.057 20 10 EGCDRO Cc1nc(C)c(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000877028513 1299120137 /nfs/dbraw/zinc/12/01/37/1299120137.db2.gz XVHSOCPYRJCHBB-UHFFFAOYSA-N 1 0 345.512 3.053 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000749175552 1299159260 /nfs/dbraw/zinc/15/92/60/1299159260.db2.gz JTKWBERQBZCEMO-IBGZPJMESA-N 1 0 329.488 3.118 20 10 EGCDRO CCc1noc(CC)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877109724 1299159312 /nfs/dbraw/zinc/15/93/12/1299159312.db2.gz REHDLCOWLZLJLN-UHFFFAOYSA-N 1 0 343.471 3.050 20 10 EGCDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877141740 1299178560 /nfs/dbraw/zinc/17/85/60/1299178560.db2.gz KJNROGCAISQGDO-NQIIRXRSSA-N 1 0 346.515 3.331 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000877416864 1299287763 /nfs/dbraw/zinc/28/77/63/1299287763.db2.gz NBDPWMHOJWQRRL-UHFFFAOYSA-N 1 0 326.444 3.008 20 10 EGCDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877487254 1299337784 /nfs/dbraw/zinc/33/77/84/1299337784.db2.gz RKCUMJMFJLIKND-GUYCJALGSA-N 1 0 342.405 3.420 20 10 EGCDRO C[C@H]1CC(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)O1 ZINC000877505016 1299354859 /nfs/dbraw/zinc/35/48/59/1299354859.db2.gz OBEJDKUSGPMBKK-IRXDYDNUSA-N 1 0 346.515 3.331 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000877540082 1299383078 /nfs/dbraw/zinc/38/30/78/1299383078.db2.gz ROITUWQRUVHQCH-VQTJNVASSA-N 1 0 344.499 3.037 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)cc2)CC1 ZINC000877568813 1299404332 /nfs/dbraw/zinc/40/43/32/1299404332.db2.gz WOBMFPZRYDCDAM-LEWJYISDSA-N 1 0 326.484 3.268 20 10 EGCDRO CO[C@](C)(C[NH2+]Cc1ccc(C)cc1O)COCc1ccccc1 ZINC000877623884 1299439612 /nfs/dbraw/zinc/43/96/12/1299439612.db2.gz CTBQRNMBHIZUCN-HXUWFJFHSA-N 1 0 329.440 3.412 20 10 EGCDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)c1ccccc1O ZINC000877755616 1299531169 /nfs/dbraw/zinc/53/11/69/1299531169.db2.gz IGZKLJWFWYEKTM-HUUCEWRRSA-N 1 0 342.439 3.389 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3ccc(NC(C)=O)cc3C2)c1 ZINC000877816311 1299577853 /nfs/dbraw/zinc/57/78/53/1299577853.db2.gz BMGGIDZHQHFNTB-UHFFFAOYSA-N 1 0 340.423 3.308 20 10 EGCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000751934845 1299657371 /nfs/dbraw/zinc/65/73/71/1299657371.db2.gz AQBWYMBLZNOYJF-LJQANCHMSA-N 1 0 343.354 3.379 20 10 EGCDRO CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000752626643 1299769993 /nfs/dbraw/zinc/76/99/93/1299769993.db2.gz QUMRSOJELMLLEA-LSDHHAIUSA-N 1 0 336.863 3.172 20 10 EGCDRO COc1ccc(N2CCN(CC[NH2+]C3CCC4(CC4)CC3)CC2)cc1 ZINC000752941824 1299826595 /nfs/dbraw/zinc/82/65/95/1299826595.db2.gz JIQNXBRFFMCLRS-UHFFFAOYSA-N 1 0 343.515 3.130 20 10 EGCDRO CC[NH+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753527714 1299962562 /nfs/dbraw/zinc/96/25/62/1299962562.db2.gz RXZPWNAOONOJEC-UHFFFAOYSA-N 1 0 326.440 3.109 20 10 EGCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1O ZINC000756094682 1300437937 /nfs/dbraw/zinc/43/79/37/1300437937.db2.gz CYOKRVQNGNEQMJ-CQSZACIVSA-N 1 0 327.424 3.447 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cccn2)c2c1c(F)ccc2O ZINC000756393314 1300482916 /nfs/dbraw/zinc/48/29/16/1300482916.db2.gz NDKVOLBUOJZJDN-WFASDCNBSA-N 1 0 338.386 3.450 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756398338 1300484815 /nfs/dbraw/zinc/48/48/15/1300484815.db2.gz VJLGYYPPTHROLK-MAUKXSAKSA-N 1 0 341.451 3.362 20 10 EGCDRO C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756430433 1300488500 /nfs/dbraw/zinc/48/85/00/1300488500.db2.gz HZMANFKVCBMQSW-OAHLLOKOSA-N 1 0 335.448 3.463 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000756446490 1300493348 /nfs/dbraw/zinc/49/33/48/1300493348.db2.gz QRGBYMQVJMCLHO-CZUORRHYSA-N 1 0 342.414 3.408 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c(O)c1 ZINC000756457063 1300495928 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EGCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765945072 1302355594 /nfs/dbraw/zinc/35/55/94/1302355594.db2.gz HTGWDUPUIXXVOS-PMUMKWKESA-N 1 0 340.895 3.234 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000765977004 1302361722 /nfs/dbraw/zinc/36/17/22/1302361722.db2.gz PFQORJPRKYSURW-DYESRHJHSA-N 1 0 345.531 3.437 20 10 EGCDRO C[NH+](C)[C@@H]1Cc2ccccc2N(Cc2c(O)ccc3ccncc32)C1 ZINC000766338100 1302433446 /nfs/dbraw/zinc/43/34/46/1302433446.db2.gz IIIZETJSVQRECH-QGZVFWFLSA-N 1 0 333.435 3.433 20 10 EGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000766537370 1302471765 /nfs/dbraw/zinc/47/17/65/1302471765.db2.gz UUJGIKQLGPPWGB-JEBQAFNWSA-N 1 0 336.451 3.126 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)COC2 ZINC000768207400 1302855673 /nfs/dbraw/zinc/85/56/73/1302855673.db2.gz HSHLYESQTKGKHS-UHFFFAOYSA-N 1 0 338.451 3.185 20 10 EGCDRO CCOc1ccc(O)c(CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000768359038 1302887404 /nfs/dbraw/zinc/88/74/04/1302887404.db2.gz ZVJHMJPSYYFSBA-UHFFFAOYSA-N 1 0 346.496 3.213 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768442437 1302903377 /nfs/dbraw/zinc/90/33/77/1302903377.db2.gz WBINOIYJAFWCSY-QFBILLFUSA-N 1 0 325.408 3.025 20 10 EGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)nnn2C ZINC000768536710 1302927503 /nfs/dbraw/zinc/92/75/03/1302927503.db2.gz VVZYOPOMMWWAGE-UHFFFAOYSA-N 1 0 337.471 3.445 20 10 EGCDRO COc1ccccc1OCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768822201 1302987016 /nfs/dbraw/zinc/98/70/16/1302987016.db2.gz FVQIPPRJUFSXKJ-UHFFFAOYSA-N 1 0 332.419 3.411 20 10 EGCDRO CC/C=C(\C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913224 1303011811 /nfs/dbraw/zinc/01/18/11/1303011811.db2.gz WYPGTDQQWKHWKZ-ZUFYJRLNSA-N 1 0 336.863 3.483 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000769110307 1303049954 /nfs/dbraw/zinc/04/99/54/1303049954.db2.gz CAXPSRVALYIMSR-UHFFFAOYSA-N 1 0 346.471 3.062 20 10 EGCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769210853 1303071892 /nfs/dbraw/zinc/07/18/92/1303071892.db2.gz UIUJRBPBNMEUSP-WBVHZDCISA-N 1 0 348.487 3.308 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000769423768 1303110447 /nfs/dbraw/zinc/11/04/47/1303110447.db2.gz IINHTSFVVFRLPY-GDBMZVCRSA-N 1 0 334.460 3.436 20 10 EGCDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769450955 1303116209 /nfs/dbraw/zinc/11/62/09/1303116209.db2.gz JXYVUVOPDVKQIO-WBVHZDCISA-N 1 0 347.459 3.320 20 10 EGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c(O)c1 ZINC000769495283 1303127145 /nfs/dbraw/zinc/12/71/45/1303127145.db2.gz DNZUPAZVPGJDME-IAGOWNOFSA-N 1 0 334.460 3.012 20 10 EGCDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769936612 1303195377 /nfs/dbraw/zinc/19/53/77/1303195377.db2.gz HAZXENKNRSKACI-RXYHWBRQSA-N 1 0 333.432 3.002 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000770387415 1303259755 /nfs/dbraw/zinc/25/97/55/1303259755.db2.gz POEYSZXDOJPFQI-GJZGRUSLSA-N 1 0 334.460 3.436 20 10 EGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)c(C)cc1O)CC2 ZINC000770651100 1303299544 /nfs/dbraw/zinc/29/95/44/1303299544.db2.gz IWTDCDWLKYQMIK-UHFFFAOYSA-N 1 0 325.408 3.354 20 10 EGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)cc(C)c1O)CC2 ZINC000770651809 1303300147 /nfs/dbraw/zinc/30/01/47/1303300147.db2.gz OWTVLJBMJQWMGJ-UHFFFAOYSA-N 1 0 325.408 3.354 20 10 EGCDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324824 1303434321 /nfs/dbraw/zinc/43/43/21/1303434321.db2.gz ILMWYUULJYNMPO-HNAYVOBHSA-N 1 0 343.515 3.303 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(-n3cncn3)c(F)c2)cc1 ZINC000771933098 1303463252 /nfs/dbraw/zinc/46/32/52/1303463252.db2.gz DMRCYDNDAQZESF-UHFFFAOYSA-N 1 0 339.418 3.104 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773609571 1303713745 /nfs/dbraw/zinc/71/37/45/1303713745.db2.gz DSMDTIXNVHAZMT-IAGOWNOFSA-N 1 0 346.519 3.233 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1 ZINC000773766302 1303737055 /nfs/dbraw/zinc/73/70/55/1303737055.db2.gz RMGRALOYKYERAF-UHFFFAOYSA-N 1 0 325.456 3.020 20 10 EGCDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774479631 1303814711 /nfs/dbraw/zinc/81/47/11/1303814711.db2.gz RFVRHNQJJUFVBG-LSDHHAIUSA-N 1 0 341.455 3.439 20 10 EGCDRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774481219 1303814775 /nfs/dbraw/zinc/81/47/75/1303814775.db2.gz AHEIEAPKDAPROC-GJZGRUSLSA-N 1 0 341.455 3.439 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nc3ccccc3n2C)c1 ZINC000775370482 1303948086 /nfs/dbraw/zinc/94/80/86/1303948086.db2.gz NPVHILRMJFRRCC-CYBMUJFWSA-N 1 0 325.412 3.181 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)COCCOC)c1cc(Br)ccc1O ZINC000775524475 1303978631 /nfs/dbraw/zinc/97/86/31/1303978631.db2.gz ABKDXDQCPWFLCD-RISCZKNCSA-N 1 0 346.265 3.247 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(NC(=O)COC)c1)c1ccccc1O ZINC000775486231 1303972199 /nfs/dbraw/zinc/97/21/99/1303972199.db2.gz COERAGJVJCJGNV-KRWDZBQOSA-N 1 0 328.412 3.218 20 10 EGCDRO CC[C@H]([NH2+]CCN1CCOCC1(C)C)c1cc(Cl)ccc1O ZINC000775498021 1303974386 /nfs/dbraw/zinc/97/43/86/1303974386.db2.gz FWLVLDXOAIYYQF-HNNXBMFYSA-N 1 0 326.868 3.197 20 10 EGCDRO CC[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(Br)ccc1O ZINC000775523861 1303978730 /nfs/dbraw/zinc/97/87/30/1303978730.db2.gz OGJRKNVFKKANIA-JSGCOSHPSA-N 1 0 328.250 3.356 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1OC ZINC000775661103 1304008246 /nfs/dbraw/zinc/00/82/46/1304008246.db2.gz JLPLIEINQQZOCS-INIZCTEOSA-N 1 0 329.396 3.452 20 10 EGCDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000775677762 1304013447 /nfs/dbraw/zinc/01/34/47/1304013447.db2.gz JEWDOSMJRYXEEJ-HKUYNNGSSA-N 1 0 331.504 3.269 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000775725220 1304021577 /nfs/dbraw/zinc/02/15/77/1304021577.db2.gz QUAROKABLHKZSX-GOSISDBHSA-N 1 0 326.440 3.107 20 10 EGCDRO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834150 1304046397 /nfs/dbraw/zinc/04/63/97/1304046397.db2.gz PXQSVKYJLBHLHV-AWEZNQCLSA-N 1 0 339.439 3.245 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775835460 1304047789 /nfs/dbraw/zinc/04/77/89/1304047789.db2.gz ZBTIWJJLMUGTFF-RDTXWAMCSA-N 1 0 348.874 3.497 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775837399 1304047928 /nfs/dbraw/zinc/04/79/28/1304047928.db2.gz SCPFNRFRABFMCU-CQSZACIVSA-N 1 0 345.874 3.373 20 10 EGCDRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000775886407 1304056022 /nfs/dbraw/zinc/05/60/22/1304056022.db2.gz KBFDIOSPXJVLNF-UHFFFAOYSA-N 1 0 337.467 3.394 20 10 EGCDRO COC1CCN(C2(C[NH2+]Cc3cccc(C)c3O)CCCC2)CC1 ZINC000776177479 1304107405 /nfs/dbraw/zinc/10/74/05/1304107405.db2.gz POPHWJFLZBDJBW-UHFFFAOYSA-N 1 0 332.488 3.214 20 10 EGCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@H]1C ZINC000776249510 1304121018 /nfs/dbraw/zinc/12/10/18/1304121018.db2.gz OWMWZEPDIMFGHQ-GJYPPUQNSA-N 1 0 346.519 3.328 20 10 EGCDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@@H](n2cncn2)C1)CCCC3 ZINC000776775882 1304196873 /nfs/dbraw/zinc/19/68/73/1304196873.db2.gz CLYZPNDDEANYDR-CYBMUJFWSA-N 1 0 338.411 3.056 20 10 EGCDRO CCN(CC)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779005784 1304516921 /nfs/dbraw/zinc/51/69/21/1304516921.db2.gz KRSRRCKXNHNTJL-GFCCVEGCSA-N 1 0 329.282 3.456 20 10 EGCDRO CN(C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000779034109 1304520898 /nfs/dbraw/zinc/52/08/98/1304520898.db2.gz VRBDFAJJJVTXIP-HNNXBMFYSA-N 1 0 338.423 3.363 20 10 EGCDRO OC[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(C(F)(F)F)cc1 ZINC000779099867 1304528933 /nfs/dbraw/zinc/52/89/33/1304528933.db2.gz CRMRPURKHPPLEH-AWEZNQCLSA-N 1 0 329.293 3.373 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c(O)cc1C ZINC000780493833 1304700150 /nfs/dbraw/zinc/70/01/50/1304700150.db2.gz KEQLOBYRALHCJK-HNNXBMFYSA-N 1 0 333.350 3.253 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000781915008 1304890888 /nfs/dbraw/zinc/89/08/88/1304890888.db2.gz WIFRMHQXLJXHFY-UHFFFAOYSA-N 1 0 341.293 3.237 20 10 EGCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccs1 ZINC000891251527 1305000326 /nfs/dbraw/zinc/00/03/26/1305000326.db2.gz FYIDPXFEEKETNF-PBHICJAKSA-N 1 0 345.512 3.337 20 10 EGCDRO Oc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000891468730 1305058538 /nfs/dbraw/zinc/05/85/38/1305058538.db2.gz WULDZTWTKSSJES-MRXNPFEDSA-N 1 0 331.387 3.418 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCCC1 ZINC000783224559 1305065310 /nfs/dbraw/zinc/06/53/10/1305065310.db2.gz SXKWZFGEBMLEPB-NRFANRHFSA-N 1 0 346.515 3.190 20 10 EGCDRO COC1CCN(C2(C[NH2+][C@@H](C)c3ccccc3O)CCCC2)CC1 ZINC000783510688 1305100780 /nfs/dbraw/zinc/10/07/80/1305100780.db2.gz ROUGFNHADBBFMS-INIZCTEOSA-N 1 0 332.488 3.466 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1O ZINC000783513241 1305101358 /nfs/dbraw/zinc/10/13/58/1305101358.db2.gz JSELGCAXXXBILT-XGHQBKJUSA-N 1 0 340.467 3.332 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cc(Br)ccc1O ZINC000783647334 1305122255 /nfs/dbraw/zinc/12/22/55/1305122255.db2.gz JYFSGLPESBFFPR-GLQYFDAESA-N 1 0 339.277 3.432 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c1O ZINC000783716492 1305131370 /nfs/dbraw/zinc/13/13/70/1305131370.db2.gz ADZINQHJVGENRK-HNNXBMFYSA-N 1 0 333.350 3.334 20 10 EGCDRO Cc1ccncc1/C=C/C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000783974600 1305169415 /nfs/dbraw/zinc/16/94/15/1305169415.db2.gz JUUUULPSLYKTQF-BJMVGYQFSA-N 1 0 339.439 3.007 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](C)c4c3c(O)ccc4F)CC2)n[nH]1 ZINC000784056413 1305183697 /nfs/dbraw/zinc/18/36/97/1305183697.db2.gz LLIYUALDVFWCDK-XHDPSFHLSA-N 1 0 344.434 3.370 20 10 EGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(OC)c(OC)c3O)C2)cc1 ZINC000891871079 1305195782 /nfs/dbraw/zinc/19/57/82/1305195782.db2.gz XGOIZAAQYMPLQZ-OAHLLOKOSA-N 1 0 343.423 3.408 20 10 EGCDRO Oc1ccccc1C[N@H+](Cc1cnc2n1CCOC2)C1CCCC1 ZINC000892011952 1305228674 /nfs/dbraw/zinc/22/86/74/1305228674.db2.gz IUHRWRHIYOZIQO-UHFFFAOYSA-N 1 0 327.428 3.064 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c(O)c1OC ZINC000892120675 1305256034 /nfs/dbraw/zinc/25/60/34/1305256034.db2.gz NLMSNOONMIDURX-KRWDZBQOSA-N 1 0 342.439 3.486 20 10 EGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2O)C12CCC2 ZINC000892230147 1305287882 /nfs/dbraw/zinc/28/78/82/1305287882.db2.gz WCBNXFLLAXZIIB-JKSUJKDBSA-N 1 0 335.444 3.189 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c1O ZINC000785561551 1305379409 /nfs/dbraw/zinc/37/94/09/1305379409.db2.gz XEGCBLAOIBKJPD-BEFAXECRSA-N 1 0 328.456 3.490 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)c(O)c1OC ZINC000892657750 1305492522 /nfs/dbraw/zinc/49/25/22/1305492522.db2.gz BBCDOVDCWQBNCL-LIRRHRJNSA-N 1 0 336.476 3.010 20 10 EGCDRO FC(F)(F)Cc1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000892794472 1305555466 /nfs/dbraw/zinc/55/54/66/1305555466.db2.gz VALIONAKMBLABL-UHFFFAOYSA-N 1 0 328.359 3.473 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cc(Cl)ccc1O ZINC000786960450 1305667124 /nfs/dbraw/zinc/66/71/24/1305667124.db2.gz JAQQVYYVBUGPAL-SECBINFHSA-N 1 0 345.873 3.361 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)c(O)c1OC ZINC000893128405 1305722863 /nfs/dbraw/zinc/72/28/63/1305722863.db2.gz MYARJNHTZKFZBQ-YOEHRIQHSA-N 1 0 345.439 3.054 20 10 EGCDRO CCCN(Cc1cc(Br)nn1C)c1ccc(C[NH3+])cc1 ZINC000787289441 1305725922 /nfs/dbraw/zinc/72/59/22/1305725922.db2.gz JBACVIVHZZIVAX-UHFFFAOYSA-N 1 0 337.265 3.058 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000787291697 1305727702 /nfs/dbraw/zinc/72/77/02/1305727702.db2.gz VZPLXJVBARVLIY-MRXNPFEDSA-N 1 0 346.402 3.368 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000787333051 1305734008 /nfs/dbraw/zinc/73/40/08/1305734008.db2.gz VAVWDUWBYCMFDC-FQEVSTJZSA-N 1 0 341.499 3.166 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)oc(=O)n2C ZINC000787770124 1305791506 /nfs/dbraw/zinc/79/15/06/1305791506.db2.gz NFRMBBOWLORXFU-UHFFFAOYSA-N 1 0 339.439 3.220 20 10 EGCDRO COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788527387 1305963716 /nfs/dbraw/zinc/96/37/16/1305963716.db2.gz TYAHTQITVSNLSY-GFCCVEGCSA-N 1 0 334.382 3.030 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c(O)c1 ZINC000788625005 1305986066 /nfs/dbraw/zinc/98/60/66/1305986066.db2.gz ITPZTIAMEZMYCJ-LSDHHAIUSA-N 1 0 329.419 3.473 20 10 EGCDRO CNC(=O)c1ccc(C[N@H+](Cc2cc(F)cc(F)c2[O-])C2CC2)cc1 ZINC000893946179 1306140363 /nfs/dbraw/zinc/14/03/63/1306140363.db2.gz MCYYIPXBFWAXHZ-UHFFFAOYSA-N 1 0 346.377 3.195 20 10 EGCDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000789557470 1306184940 /nfs/dbraw/zinc/18/49/40/1306184940.db2.gz IOHPMZVKGXHJTB-FQEVSTJZSA-N 1 0 327.424 3.318 20 10 EGCDRO CCCNC(=O)c1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894185651 1306266157 /nfs/dbraw/zinc/26/61/57/1306266157.db2.gz BZVNBJFLRBDRPM-UHFFFAOYSA-N 1 0 342.439 3.139 20 10 EGCDRO c1nnc([C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc2)[nH]1 ZINC000894762829 1309055606 /nfs/dbraw/zinc/05/56/06/1309055606.db2.gz KXWOZJRETAPMBH-SFHVURJKSA-N 1 0 334.423 3.051 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000894784818 1309069268 /nfs/dbraw/zinc/06/92/68/1309069268.db2.gz OZERJDMSCUAYBD-HNNXBMFYSA-N 1 0 335.831 3.228 20 10 EGCDRO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)[nH]1 ZINC000895008253 1309153873 /nfs/dbraw/zinc/15/38/73/1309153873.db2.gz QEIZCUOKMJQKHX-KRWDZBQOSA-N 1 0 325.460 3.093 20 10 EGCDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(O)c1OC ZINC000895018470 1309159474 /nfs/dbraw/zinc/15/94/74/1309159474.db2.gz PFJHPRJOJAZCMT-LJQANCHMSA-N 1 0 347.455 3.191 20 10 EGCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000895037772 1309166008 /nfs/dbraw/zinc/16/60/08/1309166008.db2.gz MIXDWNONURUOAC-LLVKDONJSA-N 1 0 346.240 3.278 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000792991697 1309277872 /nfs/dbraw/zinc/27/78/72/1309277872.db2.gz ICNAXNRCLFKLLS-IUODEOHRSA-N 1 0 330.394 3.412 20 10 EGCDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793019639 1309281982 /nfs/dbraw/zinc/28/19/82/1309281982.db2.gz SWRYPEGULCCJEZ-PXAZEXFGSA-N 1 0 341.421 3.344 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)c(O)c1 ZINC000793389130 1309362242 /nfs/dbraw/zinc/36/22/42/1309362242.db2.gz WZQXVJUPXYSJCD-APWZRJJASA-N 1 0 340.467 3.401 20 10 EGCDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000793601845 1309414265 /nfs/dbraw/zinc/41/42/65/1309414265.db2.gz XYNPGOMFUYELIO-OAQYLSRUSA-N 1 0 339.435 3.326 20 10 EGCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000793601844 1309414677 /nfs/dbraw/zinc/41/46/77/1309414677.db2.gz XYNPGOMFUYELIO-NRFANRHFSA-N 1 0 339.435 3.326 20 10 EGCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000793610764 1309416611 /nfs/dbraw/zinc/41/66/11/1309416611.db2.gz OXIDJYLWGKGGBE-QAPCUYQASA-N 1 0 327.424 3.211 20 10 EGCDRO OC[C@@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796340378 1309972120 /nfs/dbraw/zinc/97/21/20/1309972120.db2.gz MBGJMJKDHHCFFH-OAQYLSRUSA-N 1 0 336.479 3.500 20 10 EGCDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000796480435 1310010696 /nfs/dbraw/zinc/01/06/96/1310010696.db2.gz LXZBPWZVHCDBLN-UTKZUKDTSA-N 1 0 340.467 3.043 20 10 EGCDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796498309 1310015180 /nfs/dbraw/zinc/01/51/80/1310015180.db2.gz SQEQTZMOWATJBR-WBVHZDCISA-N 1 0 347.459 3.347 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc(Cl)n1 ZINC000797595781 1310216852 /nfs/dbraw/zinc/21/68/52/1310216852.db2.gz GVLLXCJSQRNOHQ-UHFFFAOYSA-N 1 0 349.837 3.309 20 10 EGCDRO CCOc1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c(O)c1 ZINC000799345006 1310532032 /nfs/dbraw/zinc/53/20/32/1310532032.db2.gz OCGMGYOTSIFOQT-FQEVSTJZSA-N 1 0 327.424 3.105 20 10 EGCDRO COCC1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CCC1 ZINC000800276488 1310716874 /nfs/dbraw/zinc/71/68/74/1310716874.db2.gz BBUGCHVCPRLLLE-UHFFFAOYSA-N 1 0 344.249 3.070 20 10 EGCDRO Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449480 1310740285 /nfs/dbraw/zinc/74/02/85/1310740285.db2.gz GNGDTDAYPASKGY-FQEVSTJZSA-N 1 0 343.519 3.231 20 10 EGCDRO Cc1nc(C)c(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898451667 1310742147 /nfs/dbraw/zinc/74/21/47/1310742147.db2.gz NILAHMQUTRNRTG-KRWDZBQOSA-N 1 0 332.517 3.218 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccc(N2CCOCC2)cc1 ZINC000800475362 1310765356 /nfs/dbraw/zinc/76/53/56/1310765356.db2.gz WABAJZSLJQOZFD-QFBILLFUSA-N 1 0 330.472 3.133 20 10 EGCDRO COc1cccc(O)c1C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000824501475 1320262207 /nfs/dbraw/zinc/26/22/07/1320262207.db2.gz LVIUJDIBJTWBPL-ZDUSSCGKSA-N 1 0 338.448 3.184 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CC)NC(=O)OC(C)(C)C)c1 ZINC000824661478 1320275834 /nfs/dbraw/zinc/27/58/34/1320275834.db2.gz ZTNUKTMDEVANMU-CQSZACIVSA-N 1 0 338.448 3.184 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000825130999 1320313519 /nfs/dbraw/zinc/31/35/19/1320313519.db2.gz HWBYIQNWVXEKKO-CQSZACIVSA-N 1 0 337.822 3.434 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000825338437 1320330008 /nfs/dbraw/zinc/33/00/08/1320330008.db2.gz YBGIEAKSZSGLOG-UMVBOHGHSA-N 1 0 326.234 3.202 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2cncn2C)cc1 ZINC000857783172 1328596827 /nfs/dbraw/zinc/59/68/27/1328596827.db2.gz XIHLGEDVCYACKJ-UHFFFAOYSA-N 1 0 340.496 3.450 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC34CC4)C2)cc1C ZINC001019036178 1317017906 /nfs/dbraw/zinc/01/79/06/1317017906.db2.gz NUYMNAZATIDOGY-ROUUACIJSA-N 1 0 342.483 3.274 20 10 EGCDRO CCc1oc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1C(=O)OC ZINC000802637274 1317018705 /nfs/dbraw/zinc/01/87/05/1317018705.db2.gz OXUUIRBMCSTJIR-UHFFFAOYSA-N 1 0 330.428 3.327 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C34CCC(CC3)C4)C2)cc1C ZINC001019047425 1317021500 /nfs/dbraw/zinc/02/15/00/1317021500.db2.gz YFEKFHFWBPVESS-JGCRXCKMSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1O ZINC000802656697 1317023103 /nfs/dbraw/zinc/02/31/03/1317023103.db2.gz OIXXJOPJBRJTFC-MRXNPFEDSA-N 1 0 335.831 3.494 20 10 EGCDRO CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000806129268 1317461935 /nfs/dbraw/zinc/46/19/35/1317461935.db2.gz DBWLUHWCIDHFBG-INIZCTEOSA-N 1 0 339.911 3.112 20 10 EGCDRO CCC[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)OCC ZINC000858209980 1328711947 /nfs/dbraw/zinc/71/19/47/1328711947.db2.gz DQJFODNSOTXPJQ-ZDUSSCGKSA-N 1 0 346.265 3.458 20 10 EGCDRO CC(C)[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1nncn1C ZINC000903067030 1317646834 /nfs/dbraw/zinc/64/68/34/1317646834.db2.gz XYNNEPMYLBNRTM-FZKQIMNGSA-N 1 0 328.460 3.447 20 10 EGCDRO COC(=O)c1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1C ZINC000809547746 1317827890 /nfs/dbraw/zinc/82/78/90/1317827890.db2.gz SGRRYAXKRQDJGN-UHFFFAOYSA-N 1 0 343.471 3.288 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000809693337 1317866700 /nfs/dbraw/zinc/86/67/00/1317866700.db2.gz TTWFEADJAYYBEY-MRXNPFEDSA-N 1 0 333.432 3.196 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)c1O ZINC000809739944 1317885468 /nfs/dbraw/zinc/88/54/68/1317885468.db2.gz HKJVPOUSJAEAQN-UHFFFAOYSA-N 1 0 327.359 3.015 20 10 EGCDRO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@@H](O)C(F)(F)F ZINC000809750665 1317889532 /nfs/dbraw/zinc/88/95/32/1317889532.db2.gz COXFJQGCAIKNRC-MRXNPFEDSA-N 1 0 325.330 3.414 20 10 EGCDRO CCOC1CC(O)(C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810236973 1317982290 /nfs/dbraw/zinc/98/22/90/1317982290.db2.gz CLZVRSDDPAFUQJ-UGWHAMFMSA-N 1 0 347.377 3.382 20 10 EGCDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)/C=C/c1cn(C)cn1 ZINC000905933289 1318020100 /nfs/dbraw/zinc/02/01/00/1318020100.db2.gz KBDDKCKGEWWEIZ-DVQDXYAYSA-N 1 0 340.471 3.033 20 10 EGCDRO CC[C@H]([NH2+]CCN1CCCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000811506979 1318187498 /nfs/dbraw/zinc/18/74/98/1318187498.db2.gz NBQRSFSXPAMNBF-HNNXBMFYSA-N 1 0 346.393 3.174 20 10 EGCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000811864149 1318281529 /nfs/dbraw/zinc/28/15/29/1318281529.db2.gz ONSUVDLCPXZNCB-QGZVFWFLSA-N 1 0 346.519 3.206 20 10 EGCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000811969492 1318300216 /nfs/dbraw/zinc/30/02/16/1318300216.db2.gz AKRUDTWQSWBGEY-HNNXBMFYSA-N 1 0 342.487 3.339 20 10 EGCDRO CCOC(=O)c1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)[nH]c1C ZINC000813334747 1318536113 /nfs/dbraw/zinc/53/61/13/1318536113.db2.gz XGRQDCYXJNZHOP-UHFFFAOYSA-N 1 0 329.444 3.198 20 10 EGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C[NH+](C)C ZINC000813877201 1318648293 /nfs/dbraw/zinc/64/82/93/1318648293.db2.gz NZMBZUYZWMCBFM-ZJUUUORDSA-N 1 0 333.245 3.142 20 10 EGCDRO COCC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000813883072 1318650764 /nfs/dbraw/zinc/65/07/64/1318650764.db2.gz QDEMQBFYLLGTKR-CQSZACIVSA-N 1 0 340.895 3.500 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H](CC)CN1C(C)=O ZINC000815056052 1318876615 /nfs/dbraw/zinc/87/66/15/1318876615.db2.gz ZOFSMJVQPGQVIH-RBUKOAKNSA-N 1 0 331.504 3.282 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C34CCC(CC3)C4)C2)cc1C ZINC001022290986 1318880387 /nfs/dbraw/zinc/88/03/87/1318880387.db2.gz RTGPHUDCYQXDPY-ZHFRAHACSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@]3(C)C=CCC3)C2)cc1C ZINC001022559464 1318988296 /nfs/dbraw/zinc/98/82/96/1318988296.db2.gz QGYMKPJBGQVHQC-FUHIMQAGSA-N 1 0 328.456 3.097 20 10 EGCDRO CCCNC(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815553722 1319014641 /nfs/dbraw/zinc/01/46/41/1319014641.db2.gz IFFVXXNWDLTIHM-SFHVURJKSA-N 1 0 326.440 3.182 20 10 EGCDRO CO[C@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCOC1 ZINC000815616284 1319029458 /nfs/dbraw/zinc/02/94/58/1319029458.db2.gz KOCXXWGTXHQPNZ-FPOVZHCZSA-N 1 0 341.451 3.461 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)(C)O ZINC000815651789 1319036835 /nfs/dbraw/zinc/03/68/35/1319036835.db2.gz DKAPXQCAECYVDP-DYVFJYSZSA-N 1 0 340.895 3.377 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(C)C)C2)cc1C ZINC001022907289 1319157275 /nfs/dbraw/zinc/15/72/75/1319157275.db2.gz PSSPHZVDGCSVFU-XMTFNYHQSA-N 1 0 330.472 3.033 20 10 EGCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc3ccccc3c1O)C[C@@H](C)O2 ZINC000816594721 1319189425 /nfs/dbraw/zinc/18/94/25/1319189425.db2.gz NGJNCWGALHNDEH-SIFCLUCFSA-N 1 0 327.424 3.314 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCCC2(C)C)c1O ZINC000816641561 1319199090 /nfs/dbraw/zinc/19/90/90/1319199090.db2.gz WZKWYVXSTNFMLV-MRXNPFEDSA-N 1 0 342.277 3.494 20 10 EGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000817574200 1319399418 /nfs/dbraw/zinc/39/94/18/1319399418.db2.gz LSVYGUJVXGGGPG-KRWDZBQOSA-N 1 0 332.488 3.351 20 10 EGCDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897971 1319455751 /nfs/dbraw/zinc/45/57/51/1319455751.db2.gz YEPCWSWSWDVFAT-MJGOQNOKSA-N 1 0 345.531 3.312 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000817939454 1319468712 /nfs/dbraw/zinc/46/87/12/1319468712.db2.gz BIMHSJWDWXKLRH-WOJBJXKFSA-N 1 0 325.456 3.125 20 10 EGCDRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)CCC2 ZINC000817940645 1319468759 /nfs/dbraw/zinc/46/87/59/1319468759.db2.gz GKCFSBJEYCTBAJ-CVEARBPZSA-N 1 0 330.501 3.185 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817954843 1319476162 /nfs/dbraw/zinc/47/61/62/1319476162.db2.gz LEWBJYGGQCKEAA-DNVCBOLYSA-N 1 0 343.446 3.013 20 10 EGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(Br)ncc1F ZINC000817957502 1319476509 /nfs/dbraw/zinc/47/65/09/1319476509.db2.gz MNHQDRSTWJZVBM-JTQLQIEISA-N 1 0 338.224 3.459 20 10 EGCDRO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817976424 1319483671 /nfs/dbraw/zinc/48/36/71/1319483671.db2.gz LVGVYLPAHYXWQZ-UWVGGRQHSA-N 1 0 333.245 3.462 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc4n(n3)CCC4)C2)cc1 ZINC000818341881 1319531100 /nfs/dbraw/zinc/53/11/00/1319531100.db2.gz IDAPGKXHRUNWQZ-CVEARBPZSA-N 1 0 340.471 3.015 20 10 EGCDRO C[C@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1cc(F)ccc1O ZINC000818352707 1319533317 /nfs/dbraw/zinc/53/33/17/1319533317.db2.gz OKKMVPKOWWIMEM-HNNXBMFYSA-N 1 0 344.430 3.321 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)CCCc2ccccc2)c(O)c1 ZINC000818351991 1319533949 /nfs/dbraw/zinc/53/39/49/1319533949.db2.gz FMPSZVXNTLKXDR-QGZVFWFLSA-N 1 0 340.467 3.490 20 10 EGCDRO C[C@@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccccc1O ZINC000818353672 1319534007 /nfs/dbraw/zinc/53/40/07/1319534007.db2.gz XVABFRUTCJGTJA-MRXNPFEDSA-N 1 0 326.440 3.182 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1F ZINC000818964189 1319593502 /nfs/dbraw/zinc/59/35/02/1319593502.db2.gz NHUDJCKJYKPJIX-LJQANCHMSA-N 1 0 346.471 3.202 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1F ZINC000818964188 1319593782 /nfs/dbraw/zinc/59/37/82/1319593782.db2.gz NHUDJCKJYKPJIX-IBGZPJMESA-N 1 0 346.471 3.202 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2F)cc1 ZINC000818965645 1319595615 /nfs/dbraw/zinc/59/56/15/1319595615.db2.gz WFOKLGZMMWKDHC-GOSISDBHSA-N 1 0 346.446 3.201 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1C(C)C ZINC000917463595 1319816467 /nfs/dbraw/zinc/81/64/67/1319816467.db2.gz XLRXYSYKZMHKCX-OAHLLOKOSA-N 1 0 339.501 3.081 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC000918228370 1319935728 /nfs/dbraw/zinc/93/57/28/1319935728.db2.gz ISYRLRFVZUFNKG-UHFFFAOYSA-N 1 0 348.535 3.262 20 10 EGCDRO CCOC(=O)CN(Cc1ccccc1O)[C@H](C)Cc1ccsc1 ZINC000822511333 1320091247 /nfs/dbraw/zinc/09/12/47/1320091247.db2.gz DFYDYUGSPDUTAU-CQSZACIVSA-N 1 0 333.453 3.450 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(C)OCCO2)cc1 ZINC000824032556 1320223931 /nfs/dbraw/zinc/22/39/31/1320223931.db2.gz SXYCVGAPXGNNLS-UHFFFAOYSA-N 1 0 332.469 3.237 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000824086519 1320227425 /nfs/dbraw/zinc/22/74/25/1320227425.db2.gz XOWBCRWWLUHGAE-ICSRJNTNSA-N 1 0 343.515 3.447 20 10 EGCDRO CC(C)[N@@H+]1CCCN(Cc2ccc(Br)cc2O)CC1 ZINC000824484754 1320261264 /nfs/dbraw/zinc/26/12/64/1320261264.db2.gz SNLIJBIYZFZHJV-UHFFFAOYSA-N 1 0 327.266 3.071 20 10 EGCDRO CCC[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC ZINC000824542923 1320263878 /nfs/dbraw/zinc/26/38/78/1320263878.db2.gz DKLCBAXZNZWDRM-MRXNPFEDSA-N 1 0 335.448 3.490 20 10 EGCDRO Cc1cc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000824938178 1320297515 /nfs/dbraw/zinc/29/75/15/1320297515.db2.gz GSERLZCQAJWPSY-QGPMSJSTSA-N 1 0 338.879 3.038 20 10 EGCDRO C[N@H+](Cc1cc(F)ccc1O)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824935194 1320297742 /nfs/dbraw/zinc/29/77/42/1320297742.db2.gz COALXCWPMKYAHK-UHFFFAOYSA-N 1 0 338.423 3.411 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000825045667 1320305827 /nfs/dbraw/zinc/30/58/27/1320305827.db2.gz IYTOQLLCBFHGSU-FXAWDEMLSA-N 1 0 342.487 3.276 20 10 EGCDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825045173 1320305981 /nfs/dbraw/zinc/30/59/81/1320305981.db2.gz CCMVSGDADIESEO-LBPRGKRZSA-N 1 0 340.393 3.226 20 10 EGCDRO CCC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)COC1 ZINC000825079286 1320307986 /nfs/dbraw/zinc/30/79/86/1320307986.db2.gz QOFALRXUWNLXHZ-UHFFFAOYSA-N 1 0 327.424 3.487 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1C ZINC000825110031 1320311345 /nfs/dbraw/zinc/31/13/45/1320311345.db2.gz BXCLIWRYRLRRQD-HZPDHXFCSA-N 1 0 338.451 3.465 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC2(N3CCCC3)CCOCC2)cc1Cl ZINC000825246886 1320321257 /nfs/dbraw/zinc/32/12/57/1320321257.db2.gz JYGNRYUDVBIJBE-UHFFFAOYSA-N 1 0 338.879 3.089 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC000825325321 1320327689 /nfs/dbraw/zinc/32/76/89/1320327689.db2.gz AONULZGEBMBUCI-MJGOQNOKSA-N 1 0 342.487 3.276 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000825370717 1320332732 /nfs/dbraw/zinc/33/27/32/1320332732.db2.gz PQJBQWGJGTZQFF-QGZVFWFLSA-N 1 0 348.240 3.078 20 10 EGCDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000825497223 1320343145 /nfs/dbraw/zinc/34/31/45/1320343145.db2.gz DNBKMMOIYDSVLU-NWDGAFQWSA-N 1 0 328.250 3.450 20 10 EGCDRO COCC1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000826120522 1320383859 /nfs/dbraw/zinc/38/38/59/1320383859.db2.gz FQSMRYMMNQKOGX-UHFFFAOYSA-N 1 0 328.250 3.450 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000826122328 1320384609 /nfs/dbraw/zinc/38/46/09/1320384609.db2.gz ZZEDJBBUCRJGHG-HOTGVXAUSA-N 1 0 348.240 3.463 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2c(OC)cccc2OC)c1O ZINC000826920934 1320414392 /nfs/dbraw/zinc/41/43/92/1320414392.db2.gz LHOHTIRVDBRSAR-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827007868 1320420561 /nfs/dbraw/zinc/42/05/61/1320420561.db2.gz FGBRXYRTENURTG-LJQANCHMSA-N 1 0 329.488 3.201 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@]3(C)CC3(Cl)Cl)CC2)cc1 ZINC000827309085 1320443175 /nfs/dbraw/zinc/44/31/75/1320443175.db2.gz ADQIPWVNJPAVTL-HNNXBMFYSA-N 1 0 329.271 3.401 20 10 EGCDRO OC[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)CC1CC1 ZINC000827359592 1320447948 /nfs/dbraw/zinc/44/79/48/1320447948.db2.gz QBOUDUUEMCBIDM-GOSISDBHSA-N 1 0 341.451 3.469 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1Cl ZINC000827596140 1320461413 /nfs/dbraw/zinc/46/14/13/1320461413.db2.gz VJVOXBXKWZXBAY-QGZVFWFLSA-N 1 0 327.852 3.011 20 10 EGCDRO Fc1ccccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146811 1320880225 /nfs/dbraw/zinc/88/02/25/1320880225.db2.gz VYODVHNFHBCYDI-UHFFFAOYSA-N 1 0 336.357 3.230 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCc4c(cnn4C)C3)c2c1 ZINC000840172778 1321043472 /nfs/dbraw/zinc/04/34/72/1321043472.db2.gz FBNCOYCYLJAZJC-UHFFFAOYSA-N 1 0 337.423 3.236 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000840936574 1321180975 /nfs/dbraw/zinc/18/09/75/1321180975.db2.gz LOUOEBQJFWFLOH-UHFFFAOYSA-N 1 0 345.531 3.186 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cc1C ZINC000840960316 1321187274 /nfs/dbraw/zinc/18/72/74/1321187274.db2.gz FBLDMWUNPXUOLC-QGZVFWFLSA-N 1 0 328.412 3.219 20 10 EGCDRO COc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1Br ZINC000841037022 1321205823 /nfs/dbraw/zinc/20/58/23/1321205823.db2.gz RRAQNTVWBAUWIO-UHFFFAOYSA-N 1 0 335.245 3.372 20 10 EGCDRO Cc1ccccc1-n1nccc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041775 1321207608 /nfs/dbraw/zinc/20/76/08/1321207608.db2.gz BUYKSAUSVIFTIP-FQEVSTJZSA-N 1 0 349.482 3.036 20 10 EGCDRO CCOc1cccc(CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)c1O ZINC000841047206 1321209216 /nfs/dbraw/zinc/20/92/16/1321209216.db2.gz LWVSBVZGICQOMN-ZDUSSCGKSA-N 1 0 330.403 3.428 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000841070579 1321213341 /nfs/dbraw/zinc/21/33/41/1321213341.db2.gz QZQCNDLYIRVOTG-UHFFFAOYSA-N 1 0 337.467 3.171 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CN)C2CCCC2)c1O ZINC000841087798 1321216843 /nfs/dbraw/zinc/21/68/43/1321216843.db2.gz PXRXSQXZHHJWKZ-CQSZACIVSA-N 1 0 327.266 3.070 20 10 EGCDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841298558 1321249178 /nfs/dbraw/zinc/24/91/78/1321249178.db2.gz BGKMIKHRBKPLOT-UHFFFAOYSA-N 1 0 338.455 3.397 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)Nc2cccc(C[NH3+])c2)cc1F ZINC000841304431 1321251423 /nfs/dbraw/zinc/25/14/23/1321251423.db2.gz MZXMLXOANYTFHW-UHFFFAOYSA-N 1 0 344.434 3.452 20 10 EGCDRO C[NH2+]Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000841329282 1321257450 /nfs/dbraw/zinc/25/74/50/1321257450.db2.gz DKBZILUVPBTJKR-CQSZACIVSA-N 1 0 326.444 3.355 20 10 EGCDRO O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000841332421 1321258259 /nfs/dbraw/zinc/25/82/59/1321258259.db2.gz PENLOBMJQDNIPS-UHFFFAOYSA-N 1 0 336.439 3.212 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841745015 1321305582 /nfs/dbraw/zinc/30/55/82/1321305582.db2.gz MJLUGFQMNRKCIC-SMDDNHRTSA-N 1 0 339.794 3.275 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(Br)ccc1O ZINC000841766041 1321309913 /nfs/dbraw/zinc/30/99/13/1321309913.db2.gz YDULUDNQOOFYSF-ONGXEEELSA-N 1 0 349.219 3.145 20 10 EGCDRO O=C(NC[C@@H]1CCCC[NH2+]1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841919014 1321329092 /nfs/dbraw/zinc/32/90/92/1321329092.db2.gz DEDKLZYRYFLNND-KRWDZBQOSA-N 1 0 345.487 3.379 20 10 EGCDRO C[C@H](CCCC[NH3+])NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841994153 1321334381 /nfs/dbraw/zinc/33/43/81/1321334381.db2.gz ILBGPVOUVYAZIA-QGZVFWFLSA-N 1 0 346.519 3.336 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000842686245 1321418703 /nfs/dbraw/zinc/41/87/03/1321418703.db2.gz LIQNRZMIFBJMNO-HZSPNIEDSA-N 1 0 326.387 3.024 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](CC)C(=O)NCc2cccs2)c1O ZINC000842749916 1321427378 /nfs/dbraw/zinc/42/73/78/1321427378.db2.gz JRZGNCFLUNBHJG-HNNXBMFYSA-N 1 0 348.468 3.037 20 10 EGCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Cl)C(=O)NCc1cccs1 ZINC000842749318 1321427591 /nfs/dbraw/zinc/42/75/91/1321427591.db2.gz WUSFFUMVVMCBOP-CQSZACIVSA-N 1 0 338.860 3.292 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(N2CCNC2=O)cc1 ZINC000842899338 1321447813 /nfs/dbraw/zinc/44/78/13/1321447813.db2.gz DTMANKFVPYDTAS-KGLIPLIRSA-N 1 0 325.412 3.334 20 10 EGCDRO C[NH2+][C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843048659 1321460954 /nfs/dbraw/zinc/46/09/54/1321460954.db2.gz OGHACXFLUQFNCX-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO CC[C@@H]1CN(Cc2cc(Br)cc(C)c2O)CC[C@@H]1[NH3+] ZINC000843052338 1321461844 /nfs/dbraw/zinc/46/18/44/1321461844.db2.gz OWDNYFHGWXLLFW-RISCZKNCSA-N 1 0 327.266 3.022 20 10 EGCDRO CC[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000843051349 1321462409 /nfs/dbraw/zinc/46/24/09/1321462409.db2.gz WXBRFPSZADHZOR-MLGOLLRUSA-N 1 0 329.410 3.331 20 10 EGCDRO COc1ccc(-c2n[nH]cc2CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843057436 1321463720 /nfs/dbraw/zinc/46/37/20/1321463720.db2.gz MAJQGVOFGYZXPV-UHFFFAOYSA-N 1 0 348.450 3.497 20 10 EGCDRO COc1cc(Cl)cc(CN2CCCc3cc(C[NH3+])ccc32)c1O ZINC000843057313 1321464350 /nfs/dbraw/zinc/46/43/50/1321464350.db2.gz BIGXGFWIPKDKOL-UHFFFAOYSA-N 1 0 332.831 3.466 20 10 EGCDRO [NH3+]C1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000843345155 1321502473 /nfs/dbraw/zinc/50/24/73/1321502473.db2.gz WEAHVGPMAHGINA-UHFFFAOYSA-N 1 0 337.427 3.464 20 10 EGCDRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349700 1321503339 /nfs/dbraw/zinc/50/33/39/1321503339.db2.gz JFOAVMIAMWMMJS-CYBMUJFWSA-N 1 0 327.403 3.064 20 10 EGCDRO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349656 1321503508 /nfs/dbraw/zinc/50/35/08/1321503508.db2.gz HTKMODGBEQXBAZ-GFCCVEGCSA-N 1 0 345.393 3.203 20 10 EGCDRO CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000843351278 1321504063 /nfs/dbraw/zinc/50/40/63/1321504063.db2.gz ITTANKGKYRQOOL-GOSISDBHSA-N 1 0 337.427 3.334 20 10 EGCDRO Cc1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)c(C)n1-c1ccc(F)cc1 ZINC000843485249 1321522197 /nfs/dbraw/zinc/52/21/97/1321522197.db2.gz PZEBJWGLYOLRHL-KRWDZBQOSA-N 1 0 343.446 3.495 20 10 EGCDRO C[C@@H](C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1)[C@H](C)[NH3+] ZINC000843487962 1321522217 /nfs/dbraw/zinc/52/22/17/1321522217.db2.gz MPTAYGBNRXLJBN-PMPSAXMXSA-N 1 0 326.440 3.465 20 10 EGCDRO CCN(Cc1snnc1C)Cc1cc(Br)ccc1O ZINC000844300950 1321587520 /nfs/dbraw/zinc/58/75/20/1321587520.db2.gz NSXOJBFLRXXELG-UHFFFAOYSA-N 1 0 342.262 3.337 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)[C@@H](C)CO1 ZINC000844390827 1321599079 /nfs/dbraw/zinc/59/90/79/1321599079.db2.gz KOJCQQUAGYMMHT-QFBILLFUSA-N 1 0 332.488 3.301 20 10 EGCDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000844886164 1321655077 /nfs/dbraw/zinc/65/50/77/1321655077.db2.gz NPMOYFUMLXPSAW-UHFFFAOYSA-N 1 0 347.846 3.107 20 10 EGCDRO CCN(CC[NH2+][C@@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000846143683 1321771564 /nfs/dbraw/zinc/77/15/64/1321771564.db2.gz FQUFSXVFINZFEG-ZDUSSCGKSA-N 1 0 338.448 3.308 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3n2)c1O ZINC000846148280 1321772088 /nfs/dbraw/zinc/77/20/88/1321772088.db2.gz PRZQAJARYQAFKP-CQSZACIVSA-N 1 0 325.412 3.250 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1O ZINC000846156043 1321772528 /nfs/dbraw/zinc/77/25/28/1321772528.db2.gz RTLPBAXXUHGCMS-KEYYUXOJSA-N 1 0 340.423 3.245 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)c1O ZINC000846160620 1321773340 /nfs/dbraw/zinc/77/33/40/1321773340.db2.gz ULKCYCMIZYVVGC-UARSRXHTSA-N 1 0 335.444 3.373 20 10 EGCDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846203015 1321775692 /nfs/dbraw/zinc/77/56/92/1321775692.db2.gz DGMDXMBOPUZCDE-GJZGRUSLSA-N 1 0 336.451 3.128 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1cc2c(cc1O)CCCC2 ZINC000846213221 1321776891 /nfs/dbraw/zinc/77/68/91/1321776891.db2.gz HKWHKSOVJRNROH-CQSZACIVSA-N 1 0 349.434 3.130 20 10 EGCDRO C[NH+](C)C[C@H](CNC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000846655279 1321799497 /nfs/dbraw/zinc/79/94/97/1321799497.db2.gz GRPLDJXGMFCCFS-LBPRGKRZSA-N 1 0 338.860 3.182 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(N2CCCCC2)cc1 ZINC000848562441 1321977124 /nfs/dbraw/zinc/97/71/24/1321977124.db2.gz DJQBJUNASMQVET-DOTOQJQBSA-N 1 0 339.487 3.014 20 10 EGCDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000848565665 1321977327 /nfs/dbraw/zinc/97/73/27/1321977327.db2.gz REHGJWGDLDMZSD-HZPDHXFCSA-N 1 0 343.446 3.339 20 10 EGCDRO CCc1cccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1O ZINC000848894711 1322034847 /nfs/dbraw/zinc/03/48/47/1322034847.db2.gz HLVQGQBLCJTFTI-UHFFFAOYSA-N 1 0 330.472 3.225 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)NC2CCCC2)cc1 ZINC000919647778 1322089770 /nfs/dbraw/zinc/08/97/70/1322089770.db2.gz OSUDYOYGOFKBOY-UHFFFAOYSA-N 1 0 331.504 3.414 20 10 EGCDRO Oc1ccc(Cl)cc1CN[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000849349864 1322116461 /nfs/dbraw/zinc/11/64/61/1322116461.db2.gz MBTFIJQRANSASH-IAGOWNOFSA-N 1 0 334.822 3.420 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1O ZINC000849350050 1322116712 /nfs/dbraw/zinc/11/67/12/1322116712.db2.gz OFNXRTBRUCMYAR-QZTJIDSGSA-N 1 0 344.430 3.165 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCCO2)ccc1N1CCCCC1 ZINC000920414279 1322174356 /nfs/dbraw/zinc/17/43/56/1322174356.db2.gz QTUOUTPFHLFVHT-MRXNPFEDSA-N 1 0 333.432 3.244 20 10 EGCDRO COc1cc(C[NH2+]CCCN2CCCCC2=O)c(O)c(C(C)(C)C)c1 ZINC000850124760 1322195016 /nfs/dbraw/zinc/19/50/16/1322195016.db2.gz XCXKYMQLMAXNKQ-UHFFFAOYSA-N 1 0 348.487 3.191 20 10 EGCDRO COc1cc(C[NH2+]C[C@](C)(O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850159677 1322200646 /nfs/dbraw/zinc/20/06/46/1322200646.db2.gz JNJXPOUTTWJHSW-IBGZPJMESA-N 1 0 333.428 3.289 20 10 EGCDRO COc1cc(C[NH2+]CCNc2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000850155533 1322200855 /nfs/dbraw/zinc/20/08/55/1322200855.db2.gz AUWWMTXCGDMSLK-UHFFFAOYSA-N 1 0 329.444 3.295 20 10 EGCDRO COc1cc(C[NH2+]CC2([S@](C)=O)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850283385 1322222346 /nfs/dbraw/zinc/22/23/46/1322222346.db2.gz BPPVRXIEPJCJLS-QHCPKHFHSA-N 1 0 339.501 3.089 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850326804 1322229081 /nfs/dbraw/zinc/22/90/81/1322229081.db2.gz BUUGWDISFYGHTH-ZBFHGGJFSA-N 1 0 343.414 3.337 20 10 EGCDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000850355093 1322231969 /nfs/dbraw/zinc/23/19/69/1322231969.db2.gz FVVYDYREAVSLJD-FHJLPGHOSA-N 1 0 334.529 3.456 20 10 EGCDRO COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3O)CC2=O)cc1 ZINC000850513879 1322259869 /nfs/dbraw/zinc/25/98/69/1322259869.db2.gz HRSBGUMGZGPONH-GJZGRUSLSA-N 1 0 340.423 3.165 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000921120355 1322260053 /nfs/dbraw/zinc/26/00/53/1322260053.db2.gz IIUCTDQKUODXNF-INIZCTEOSA-N 1 0 334.508 3.014 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@]2(O)CCCOC2)c2c1c(F)ccc2O ZINC000850563172 1322268314 /nfs/dbraw/zinc/26/83/14/1322268314.db2.gz TZLMMHUPQCJNQP-TVZGQMOCSA-N 1 0 337.435 3.237 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000850568360 1322269580 /nfs/dbraw/zinc/26/95/80/1322269580.db2.gz WFCOYDUTGJHJAB-VQTJNVASSA-N 1 0 344.499 3.085 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000850580830 1322273109 /nfs/dbraw/zinc/27/31/09/1322273109.db2.gz RIJKSQKQUHWBNM-OTYXRUKQSA-N 1 0 341.329 3.202 20 10 EGCDRO CN(C)C(=O)C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921592754 1322360299 /nfs/dbraw/zinc/36/02/99/1322360299.db2.gz KAUISFKPAFVMOR-LJQANCHMSA-N 1 0 338.451 3.321 20 10 EGCDRO Cc1cc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923402108 1322745701 /nfs/dbraw/zinc/74/57/01/1322745701.db2.gz TZYFMFKAJQWFMW-GJZGRUSLSA-N 1 0 329.410 3.020 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCOCc3ccccc3)CC2)cc1 ZINC000851733429 1323076194 /nfs/dbraw/zinc/07/61/94/1323076194.db2.gz VLLBDPXODBJPEW-UHFFFAOYSA-N 1 0 340.467 3.424 20 10 EGCDRO CCCC[N@H+](CCc1nc(C(C)=O)c(C)[nH]1)Cc1ccccc1O ZINC000852019225 1323134144 /nfs/dbraw/zinc/13/41/44/1323134144.db2.gz VSZHRPVMMDXGJS-UHFFFAOYSA-N 1 0 329.444 3.471 20 10 EGCDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccncc1 ZINC000852043727 1323137570 /nfs/dbraw/zinc/13/75/70/1323137570.db2.gz HSKCGCCYWCXFLL-HXUWFJFHSA-N 1 0 341.455 3.024 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000852108737 1323149200 /nfs/dbraw/zinc/14/92/00/1323149200.db2.gz LVJOPNJGKVNKHI-GOSISDBHSA-N 1 0 336.863 3.166 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cnnn1-c1ccccc1 ZINC000925081532 1323271357 /nfs/dbraw/zinc/27/13/57/1323271357.db2.gz RDXABMTXEDJGAZ-INIZCTEOSA-N 1 0 335.455 3.493 20 10 EGCDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCSc2nccs2)cn1 ZINC000925101544 1323281648 /nfs/dbraw/zinc/28/16/48/1323281648.db2.gz INHCCTOWXHDNGQ-LSDHHAIUSA-N 1 0 336.530 3.360 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)CC4CC4)C[C@H]32)cc1C ZINC001026170967 1324639546 /nfs/dbraw/zinc/63/95/46/1324639546.db2.gz MYHFRMSEXYOPJH-IPMKNSEASA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccoc3C)C2)cc1C ZINC001026670914 1324965153 /nfs/dbraw/zinc/96/51/53/1324965153.db2.gz IIQJBAFFDBKCIW-KRWDZBQOSA-N 1 0 342.439 3.157 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C[C@H]3C=CCC3)C2)cc1C ZINC001026674201 1324967256 /nfs/dbraw/zinc/96/72/56/1324967256.db2.gz PXGOIGDJRGUULW-PKOBYXMFSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3occc3C)C2)cc1C ZINC001026684385 1324974863 /nfs/dbraw/zinc/97/48/63/1324974863.db2.gz BFNIKXAXOCGHMW-QGZVFWFLSA-N 1 0 342.439 3.157 20 10 EGCDRO CCC(CC)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001026694629 1324982466 /nfs/dbraw/zinc/98/24/66/1324982466.db2.gz DYIYLDWZAMPDBH-QGZVFWFLSA-N 1 0 332.488 3.378 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853241023 1325069853 /nfs/dbraw/zinc/06/98/53/1325069853.db2.gz RUAPBALNDVGKPP-HIFRSBDPSA-N 1 0 333.432 3.073 20 10 EGCDRO C[C@@H](CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[NH+](C)C ZINC000853704638 1325150064 /nfs/dbraw/zinc/15/00/64/1325150064.db2.gz SLSUXFHWNMGSFA-KRWDZBQOSA-N 1 0 346.519 3.062 20 10 EGCDRO CC[C@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000927079557 1327848641 /nfs/dbraw/zinc/84/86/41/1327848641.db2.gz GDTOQJBGBUHNBD-JSGCOSHPSA-N 1 0 344.249 3.001 20 10 EGCDRO COC(=O)CCC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862243664 1329470022 /nfs/dbraw/zinc/47/00/22/1329470022.db2.gz AZXWIJULULHGJG-UHFFFAOYSA-N 1 0 340.414 3.196 20 10 EGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862348566 1329476560 /nfs/dbraw/zinc/47/65/60/1329476560.db2.gz BONXEIHTCHOGSV-HNNXBMFYSA-N 1 0 328.250 3.282 20 10 EGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862370094 1329478768 /nfs/dbraw/zinc/47/87/68/1329478768.db2.gz BINFITONOKYYSU-OAHLLOKOSA-N 1 0 328.250 3.139 20 10 EGCDRO COc1c(O)c(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000862442559 1329487610 /nfs/dbraw/zinc/48/76/10/1329487610.db2.gz IJZMKKXHUCCDKD-AOOOYVTPSA-N 1 0 330.331 3.032 20 10 EGCDRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000862478537 1329489487 /nfs/dbraw/zinc/48/94/87/1329489487.db2.gz JDAUVIOZHFYJJR-INIZCTEOSA-N 1 0 329.440 3.447 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000862485131 1329490670 /nfs/dbraw/zinc/49/06/70/1329490670.db2.gz HEKRDECTHVADSX-HIFRSBDPSA-N 1 0 335.444 3.201 20 10 EGCDRO Cc1cc(CNC(=O)CCCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000863165868 1329531723 /nfs/dbraw/zinc/53/17/23/1329531723.db2.gz PBPDYDCUHWFSHX-UHFFFAOYSA-N 1 0 327.472 3.442 20 10 EGCDRO COc1cccc(Nc2ccc(NC[C@@H](O)C[NH+]3CCCC3)cc2)c1 ZINC000863568980 1329563831 /nfs/dbraw/zinc/56/38/31/1329563831.db2.gz QFTPKVHFFNQEPU-LJQANCHMSA-N 1 0 341.455 3.307 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c(O)c1C ZINC000866435773 1330111995 /nfs/dbraw/zinc/11/19/95/1330111995.db2.gz FXIBKLFLWPLPSJ-WCQYABFASA-N 1 0 328.338 3.055 20 10 EGCDRO C[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1O ZINC000868232365 1330263318 /nfs/dbraw/zinc/26/33/18/1330263318.db2.gz ICVCBBKKKWDUHL-HZPDHXFCSA-N 1 0 341.455 3.273 20 10 EGCDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000868777191 1330341467 /nfs/dbraw/zinc/34/14/67/1330341467.db2.gz UMZIOUIYYNTGJB-HUUCEWRRSA-N 1 0 331.460 3.159 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC000969407753 1336207664 /nfs/dbraw/zinc/20/76/64/1336207664.db2.gz UESYZAVXLLAHGZ-OTWHNJEPSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)c3ccco3)C2)cc1C ZINC000969934535 1336262651 /nfs/dbraw/zinc/26/26/51/1336262651.db2.gz PVRFRIGBUAXGJM-NVXWUHKLSA-N 1 0 342.439 3.091 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)cc1C ZINC001018493426 1339641515 /nfs/dbraw/zinc/64/15/15/1339641515.db2.gz TZHZAJFLOREMCV-MSOLQXFVSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C2CC=CC2)cc1C ZINC001036971765 1343901101 /nfs/dbraw/zinc/90/11/01/1343901101.db2.gz GMMVKBVBCUHVSQ-RBUKOAKNSA-N 1 0 342.483 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C2=CCCC2)cc1C ZINC001036982297 1343909136 /nfs/dbraw/zinc/90/91/36/1343909136.db2.gz KUVIRDCSNGOOKI-RBUKOAKNSA-N 1 0 342.483 3.488 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccoc3)[C@H](C)C2)cc1C ZINC001044467359 1346341194 /nfs/dbraw/zinc/34/11/94/1346341194.db2.gz QDQXWKBHDSFCRZ-CRAIPNDOSA-N 1 0 342.439 3.380 20 10 EGCDRO CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863386 1347136143 /nfs/dbraw/zinc/13/61/43/1347136143.db2.gz YJJHZNMCUGFYBL-SCLBCKFNSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CC(C)C)C2)cc1C ZINC001047684228 1347329160 /nfs/dbraw/zinc/32/91/60/1347329160.db2.gz SQLQPOYYVDQKSM-AEFFLSMTSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3ccoc3)C2)cc1C ZINC001047715304 1347346102 /nfs/dbraw/zinc/34/61/02/1347346102.db2.gz GBHWHWABLKJDFX-RDJZCZTQSA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C)cc1C ZINC001054316469 1349306494 /nfs/dbraw/zinc/30/64/94/1349306494.db2.gz UJUTWTWTBIBICE-CRAIPNDOSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3=CCCC3)C[C@@H]2C)cc1C ZINC001054564573 1349400461 /nfs/dbraw/zinc/40/04/61/1349400461.db2.gz JRFZBXHIIGUVHQ-MAUKXSAKSA-N 1 0 328.456 3.050 20 10 EGCDRO CC(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072102479 1355131631 /nfs/dbraw/zinc/13/16/31/1355131631.db2.gz PDEQRNZRBYKYGR-BBRMVZONSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)/C=C\C3CC3)[C@H]2C)cc1C ZINC001074583400 1356212375 /nfs/dbraw/zinc/21/23/75/1356212375.db2.gz TVFRXYQFJXYEBG-CLUPCLRZSA-N 1 0 328.456 3.049 20 10 EGCDRO Nc1ccc(N(Cc2ccccc2)C(=O)C23CCC[NH+]2CCC3)cc1 ZINC001183557274 1387318740 /nfs/dbraw/zinc/31/87/40/1387318740.db2.gz QPSSGWONWDDXOO-UHFFFAOYSA-N 1 0 335.451 3.430 20 10 EGCDRO c1csc(N2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001323302798 1387329269 /nfs/dbraw/zinc/32/92/69/1387329269.db2.gz GUCMECOSBXBOIG-UHFFFAOYSA-N 1 0 342.512 3.456 20 10 EGCDRO CC[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994041 1358948492 /nfs/dbraw/zinc/94/84/92/1358948492.db2.gz AEBVJFAVPZSSOP-CJNGLKHVSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3=CCCC3)C2)cc1C ZINC001086060822 1358983746 /nfs/dbraw/zinc/98/37/46/1358983746.db2.gz LJWKDAIPGCSPML-MAEOIBBWSA-N 1 0 328.456 3.098 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)cc1C ZINC001086154678 1359010467 /nfs/dbraw/zinc/01/04/67/1359010467.db2.gz UFFSFXAPHLCZTP-DCXXXQMHSA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[C@@H](C)C3)C2)cc1C ZINC001086496336 1359120027 /nfs/dbraw/zinc/12/00/27/1359120027.db2.gz SNMWTORQCNDEDT-UTRMSSBJSA-N 1 0 344.499 3.424 20 10 EGCDRO C[NH+](C)CCCCC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001184053863 1387384521 /nfs/dbraw/zinc/38/45/21/1387384521.db2.gz SYPJZPLEBAUYEL-YWTBVUPUSA-N 1 0 340.431 3.337 20 10 EGCDRO CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089067959 1360157320 /nfs/dbraw/zinc/15/73/20/1360157320.db2.gz FBQXIYPUBALXOJ-IOASZLSFSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3occc3C)C2)cc1C ZINC001090928163 1360956544 /nfs/dbraw/zinc/95/65/44/1360956544.db2.gz YAQWDBFQAPIGBH-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@H]2C)cc1C ZINC001093721956 1361684640 /nfs/dbraw/zinc/68/46/40/1361684640.db2.gz LYPKJHHASAWWDI-KBAYOESNSA-N 1 0 344.499 3.234 20 10 EGCDRO CC[C@H](C)CC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100282543 1364067111 /nfs/dbraw/zinc/06/71/11/1364067111.db2.gz PBZMUWFCSGIWQA-NNGSBXSVSA-N 1 0 332.488 3.424 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC(C)(C)S(C)(=O)=O ZINC001325289342 1387929550 /nfs/dbraw/zinc/92/95/50/1387929550.db2.gz ONQMSHYFIBMOLH-CHWSQXEVSA-N 1 0 325.474 3.052 20 10 EGCDRO CC[NH+](CC)CCCNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001196702611 1368666563 /nfs/dbraw/zinc/66/65/63/1368666563.db2.gz AKGLMNAQILGSKK-HNNXBMFYSA-N 1 0 336.549 3.010 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@H](n2cncn2)C1 ZINC001325629938 1388015378 /nfs/dbraw/zinc/01/53/78/1388015378.db2.gz SVMQIFPKTPDTFI-MOXGXCLJSA-N 1 0 339.487 3.180 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2ccccc2O)C1 ZINC001203550557 1370166154 /nfs/dbraw/zinc/16/61/54/1370166154.db2.gz ZIBGCOOOTZZECY-LJQANCHMSA-N 1 0 332.444 3.368 20 10 EGCDRO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203551663 1370166828 /nfs/dbraw/zinc/16/68/28/1370166828.db2.gz JTPWOBADVAYNEO-SFHVURJKSA-N 1 0 328.437 3.083 20 10 EGCDRO COc1cc(N2CC[NH+](Cc3ccccc3O)CC2)ccc1Cl ZINC001203558690 1370168981 /nfs/dbraw/zinc/16/89/81/1370168981.db2.gz VWANTYAOTQKWPW-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@H]2CCCC[C@@H]12 ZINC001203589035 1370180806 /nfs/dbraw/zinc/18/08/06/1370180806.db2.gz BIZGJFOFIAIQPR-OIISXLGYSA-N 1 0 347.455 3.202 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(c3nc(CC)no3)CC2)c1O ZINC001203613621 1370188178 /nfs/dbraw/zinc/18/81/78/1370188178.db2.gz CEOQNCJTADBDLO-UHFFFAOYSA-N 1 0 331.416 3.116 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1O ZINC001203615077 1370188899 /nfs/dbraw/zinc/18/88/99/1370188899.db2.gz LHTMNBXXTUTIAT-HNNXBMFYSA-N 1 0 335.444 3.487 20 10 EGCDRO CC[N@H+](Cc1ccc(OC)cc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001203628868 1370192975 /nfs/dbraw/zinc/19/29/75/1370192975.db2.gz IYYKPBOPGJCNPD-IBGZPJMESA-N 1 0 340.467 3.497 20 10 EGCDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cc(OC)ccc1O ZINC001203681295 1370216074 /nfs/dbraw/zinc/21/60/74/1370216074.db2.gz UGMOYAQLFFFHMM-IBGZPJMESA-N 1 0 340.467 3.497 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)cc1 ZINC001203934111 1370321015 /nfs/dbraw/zinc/32/10/15/1370321015.db2.gz MXGAEMBEOUDRNX-UHFFFAOYSA-N 1 0 330.863 3.123 20 10 EGCDRO CCOC(=O)C1(F)CC[NH+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC001203938779 1370322593 /nfs/dbraw/zinc/32/25/93/1370322593.db2.gz DNTNJJDVHDUMDH-UHFFFAOYSA-N 1 0 336.451 3.400 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c2ccccc21 ZINC001204234372 1370418063 /nfs/dbraw/zinc/41/80/63/1370418063.db2.gz ZOQLYZNCERFWMJ-OAHLLOKOSA-N 1 0 334.410 3.355 20 10 EGCDRO Oc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c(O)c1 ZINC001204273239 1370428500 /nfs/dbraw/zinc/42/85/00/1370428500.db2.gz LIYDFNGJLAIRPR-DFQSSKMNSA-N 1 0 347.455 3.036 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204277270 1370429005 /nfs/dbraw/zinc/42/90/05/1370429005.db2.gz XOXVAESCQLCVJI-IBGZPJMESA-N 1 0 348.443 3.073 20 10 EGCDRO FC1(F)CN(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001204321749 1370443708 /nfs/dbraw/zinc/44/37/08/1370443708.db2.gz KESMRHNECBVHRS-UHFFFAOYSA-N 1 0 335.442 3.202 20 10 EGCDRO CC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204326268 1370444752 /nfs/dbraw/zinc/44/47/52/1370444752.db2.gz WPQSNAMWVQSAKO-UHFFFAOYSA-N 1 0 341.499 3.121 20 10 EGCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327985 1370445183 /nfs/dbraw/zinc/44/51/83/1370445183.db2.gz AKYQZVPIUNWJDS-HXUWFJFHSA-N 1 0 330.472 3.452 20 10 EGCDRO Cc1nc(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)no1 ZINC001204327246 1370445205 /nfs/dbraw/zinc/44/52/05/1370445205.db2.gz MWEXLVAQEVAZTB-UHFFFAOYSA-N 1 0 326.444 3.358 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CCc3csc(C)n3)CC2)cc1 ZINC001116434791 1370910732 /nfs/dbraw/zinc/91/07/32/1370910732.db2.gz ATWGMZLMZLZBJV-UHFFFAOYSA-N 1 0 331.485 3.215 20 10 EGCDRO [NH3+][C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1F ZINC001206188948 1370986993 /nfs/dbraw/zinc/98/69/93/1370986993.db2.gz WLGLPCOBYXCJGA-MOPGFXCFSA-N 1 0 344.430 3.232 20 10 EGCDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC001118571690 1371200363 /nfs/dbraw/zinc/20/03/63/1371200363.db2.gz FUKJJZSUMAYOQX-KBPBESRZSA-N 1 0 327.266 3.117 20 10 EGCDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC001118571693 1371201034 /nfs/dbraw/zinc/20/10/34/1371201034.db2.gz FUKJJZSUMAYOQX-ZIAGYGMSSA-N 1 0 327.266 3.117 20 10 EGCDRO COc1ccc(N2CCN(CC3(C[NH+](C)C)CCCC3)CC2)c(C)c1 ZINC001208187453 1371627070 /nfs/dbraw/zinc/62/70/70/1371627070.db2.gz LFGRJXXWWHDMCS-UHFFFAOYSA-N 1 0 345.531 3.248 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001209300590 1372063661 /nfs/dbraw/zinc/06/36/61/1372063661.db2.gz ZAXGEMCSVFIFBZ-UHFFFAOYSA-N 1 0 326.440 3.286 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC001209519874 1372127117 /nfs/dbraw/zinc/12/71/17/1372127117.db2.gz ISCPNRUFBQGCMP-UHFFFAOYSA-N 1 0 340.467 3.476 20 10 EGCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(OCc2ccccc2)cc1O ZINC001209874063 1372219057 /nfs/dbraw/zinc/21/90/57/1372219057.db2.gz LKGMUOIGFKHYAR-IYBDPMFKSA-N 1 0 326.440 3.153 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1C ZINC001127710901 1373165689 /nfs/dbraw/zinc/16/56/89/1373165689.db2.gz QEAMOVZVHRPJET-DLBZAZTESA-N 1 0 332.488 3.282 20 10 EGCDRO C[C@H](Oc1cccc2c1C(=O)c1ccccc1C2=O)C1CC[NH2+]CC1 ZINC001218002664 1373531701 /nfs/dbraw/zinc/53/17/01/1373531701.db2.gz IWHGACPZRITZJW-ZDUSSCGKSA-N 1 0 335.403 3.229 20 10 EGCDRO Cc1cc(CN2CC[C@]3(C2)CCCC[NH2+]3)c(O)cc1Br ZINC001222441252 1373844972 /nfs/dbraw/zinc/84/49/72/1373844972.db2.gz HOGCJXNUICXCEZ-INIZCTEOSA-N 1 0 339.277 3.181 20 10 EGCDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001327139836 1388397535 /nfs/dbraw/zinc/39/75/35/1388397535.db2.gz GCJRLOUCFRDRIM-IBGZPJMESA-N 1 0 341.499 3.023 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cncs2)cc1C ZINC001133879555 1376247862 /nfs/dbraw/zinc/24/78/62/1376247862.db2.gz COADRCSYEJRTGU-KBPBESRZSA-N 1 0 347.484 3.147 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)c1O ZINC001231592815 1376274246 /nfs/dbraw/zinc/27/42/46/1376274246.db2.gz KQALYAZKGYCIPQ-UHFFFAOYSA-N 1 0 336.439 3.153 20 10 EGCDRO Cc1cccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1O ZINC001231592260 1376274405 /nfs/dbraw/zinc/27/44/05/1376274405.db2.gz LNNXOQKQXSLMQJ-INIZCTEOSA-N 1 0 342.487 3.314 20 10 EGCDRO CC(=O)N1CCCCC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231844401 1376326060 /nfs/dbraw/zinc/32/60/60/1376326060.db2.gz KOQXVSRSFQXRKR-UHFFFAOYSA-N 1 0 330.472 3.376 20 10 EGCDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231866593 1376328450 /nfs/dbraw/zinc/32/84/50/1376328450.db2.gz GJKJESVTEZXPTP-QZTJIDSGSA-N 1 0 339.863 3.372 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)CC(C)C)CC2)cc1Cl ZINC001231870653 1376330439 /nfs/dbraw/zinc/33/04/39/1376330439.db2.gz MICLDKIKQGMPFD-UHFFFAOYSA-N 1 0 338.879 3.481 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)cc1Cl ZINC001231871422 1376334354 /nfs/dbraw/zinc/33/43/54/1376334354.db2.gz KNBPATJTOGUNJS-CQSZACIVSA-N 1 0 333.819 3.106 20 10 EGCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)c1 ZINC001231871655 1376334744 /nfs/dbraw/zinc/33/47/44/1376334744.db2.gz PGJCPWBHXOKFEN-HNNXBMFYSA-N 1 0 348.830 3.411 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)cc1Cl ZINC001232271531 1376427268 /nfs/dbraw/zinc/42/72/68/1376427268.db2.gz WDOFCBQYQODGIP-CQSZACIVSA-N 1 0 348.830 3.411 20 10 EGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)cc1C ZINC001232833582 1376521072 /nfs/dbraw/zinc/52/10/72/1376521072.db2.gz AYHSKXYRWVSYNE-UHFFFAOYSA-N 1 0 339.483 3.397 20 10 EGCDRO Cc1cccc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)c1 ZINC001232833725 1376521103 /nfs/dbraw/zinc/52/11/03/1376521103.db2.gz DDBSATOUDMUWOV-UHFFFAOYSA-N 1 0 325.456 3.089 20 10 EGCDRO CC[N@@H+]1CCN(Cc2cc(Br)cc(C)c2O)C(C)(C)C1 ZINC001233111533 1376572748 /nfs/dbraw/zinc/57/27/48/1376572748.db2.gz SJPBMNWQHKCDKL-UHFFFAOYSA-N 1 0 341.293 3.379 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)Cc2cccs2)cc1C ZINC001134560031 1376594454 /nfs/dbraw/zinc/59/44/54/1376594454.db2.gz ZCERTGGPRIOUAA-HNNXBMFYSA-N 1 0 346.496 3.150 20 10 EGCDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1O ZINC001233233182 1376595936 /nfs/dbraw/zinc/59/59/36/1376595936.db2.gz CKKLYDBEAHQVCX-UHFFFAOYSA-N 1 0 326.440 3.169 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3nccs3)CC2)c1 ZINC001233283943 1376603930 /nfs/dbraw/zinc/60/39/30/1376603930.db2.gz BLPPHHQDMKKDME-UHFFFAOYSA-N 1 0 331.485 3.468 20 10 EGCDRO Cc1ccccc1OC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482432 1376652269 /nfs/dbraw/zinc/65/22/69/1376652269.db2.gz NJZBIJZLLJKRJN-UHFFFAOYSA-N 1 0 329.396 3.155 20 10 EGCDRO Oc1c(C[NH+]2CC3(C2)C[C@@H](F)CS3)cccc1OC(F)(F)F ZINC001233767478 1376712698 /nfs/dbraw/zinc/71/26/98/1376712698.db2.gz CVRQLISKQKKYJL-SNVBAGLBSA-N 1 0 337.338 3.320 20 10 EGCDRO COc1cc(O)c(CN2CC[NH2+][C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001235855132 1376903669 /nfs/dbraw/zinc/90/36/69/1376903669.db2.gz KEAAWVXOGOZGHW-QGZVFWFLSA-N 1 0 332.831 3.201 20 10 EGCDRO Cc1cc(CN(C2CC2)[C@H]2CCC[NH2+]C2)c(O)cc1Br ZINC001236240169 1376944503 /nfs/dbraw/zinc/94/45/03/1376944503.db2.gz LJFNTBOYIBQBTI-AWEZNQCLSA-N 1 0 339.277 3.180 20 10 EGCDRO CO[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237057876 1376973205 /nfs/dbraw/zinc/97/32/05/1376973205.db2.gz GDOCDBUHKVMVIQ-ZDUSSCGKSA-N 1 0 333.350 3.334 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Br ZINC001237676234 1376982492 /nfs/dbraw/zinc/98/24/92/1376982492.db2.gz HHIIGGQZMJDWHD-MLGOLLRUSA-N 1 0 340.261 3.464 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](CO)CC[C@H]2C)cc1Br ZINC001237676267 1376983126 /nfs/dbraw/zinc/98/31/26/1376983126.db2.gz HKLOGAAEIBIBQY-VXGBXAGGSA-N 1 0 328.250 3.056 20 10 EGCDRO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238657725 1376999856 /nfs/dbraw/zinc/99/98/56/1376999856.db2.gz ZAKCKQJMKFGDSA-ZIPFOMIPSA-N 1 0 332.429 3.118 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(-n2ccnn2)cc1 ZINC001137369026 1377533468 /nfs/dbraw/zinc/53/34/68/1377533468.db2.gz DVCHTZLTDSWKOF-UHFFFAOYSA-N 1 0 335.455 3.355 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)c(C)c1 ZINC001137405860 1377542631 /nfs/dbraw/zinc/54/26/31/1377542631.db2.gz ROXKDIICTYHRKP-UHFFFAOYSA-N 1 0 336.439 3.202 20 10 EGCDRO CC(C)COC[C@@H]1CN(Cc2c(O)cccc2F)Cc2ncn(C)c21 ZINC001137834589 1377625386 /nfs/dbraw/zinc/62/53/86/1377625386.db2.gz MAAPEIVCTXZQPG-AWEZNQCLSA-N 1 0 347.434 3.037 20 10 EGCDRO O=C1C[C@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)CN1c1ccsc1 ZINC001137835438 1377626241 /nfs/dbraw/zinc/62/62/41/1377626241.db2.gz HOVBSJNXLTWIBV-SFHVURJKSA-N 1 0 346.427 3.222 20 10 EGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219475 1377690824 /nfs/dbraw/zinc/69/08/24/1377690824.db2.gz BYDDBRPSKNJVQW-FQEVSTJZSA-N 1 0 330.472 3.452 20 10 EGCDRO O=C1CCC2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)O1 ZINC001138220061 1377690845 /nfs/dbraw/zinc/69/08/45/1377690845.db2.gz YNOZSPJSEHVFAF-UHFFFAOYSA-N 1 0 328.456 3.349 20 10 EGCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138222437 1377691084 /nfs/dbraw/zinc/69/10/84/1377691084.db2.gz XPKVISFCPGVLHQ-FQEVSTJZSA-N 1 0 329.488 3.120 20 10 EGCDRO COCC[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337087 1377704390 /nfs/dbraw/zinc/70/43/90/1377704390.db2.gz KFPUBKJJGXYJPZ-GOSISDBHSA-N 1 0 344.499 3.482 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138339630 1377705803 /nfs/dbraw/zinc/70/58/03/1377705803.db2.gz HHADGSFWYZZWDO-BEFAXECRSA-N 1 0 342.483 3.092 20 10 EGCDRO Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358970 1377709196 /nfs/dbraw/zinc/70/91/96/1377709196.db2.gz FPYGGRYKYZVKPO-LJQANCHMSA-N 1 0 337.467 3.426 20 10 EGCDRO F[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC001138494599 1377733089 /nfs/dbraw/zinc/73/30/89/1377733089.db2.gz ALIQTDXOHGDXMY-INIZCTEOSA-N 1 0 328.378 3.092 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)ccc1N(C)C ZINC001139672276 1377930999 /nfs/dbraw/zinc/93/09/99/1377930999.db2.gz UXLZQKBVGUWKGJ-TZIWHRDSSA-N 1 0 344.499 3.221 20 10 EGCDRO Cc1cc(C[NH+]2CCC(Oc3ccccn3)CC2)ccc1N(C)C ZINC001139670990 1377931026 /nfs/dbraw/zinc/93/10/26/1377931026.db2.gz KBNJGSNROBFKIH-UHFFFAOYSA-N 1 0 325.456 3.499 20 10 EGCDRO Cc1cccc(N2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC001139673601 1377931380 /nfs/dbraw/zinc/93/13/80/1377931380.db2.gz VUNJSVGHOOHXKJ-UHFFFAOYSA-N 1 0 338.499 3.477 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)ccc1N(C)C ZINC001139674227 1377931713 /nfs/dbraw/zinc/93/17/13/1377931713.db2.gz PVGJGYQJCZMIPQ-SFHVURJKSA-N 1 0 340.471 3.203 20 10 EGCDRO Oc1ccc(F)cc1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140054960 1377997199 /nfs/dbraw/zinc/99/71/99/1377997199.db2.gz BMKVWFVWZPDZSU-QZTJIDSGSA-N 1 0 326.415 3.095 20 10 EGCDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc(F)ccc1O)C2 ZINC001140058979 1377997941 /nfs/dbraw/zinc/99/79/41/1377997941.db2.gz RVUPFYPRSCZMHO-CYBMUJFWSA-N 1 0 331.387 3.320 20 10 EGCDRO CCOCC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001140101504 1378007497 /nfs/dbraw/zinc/00/74/97/1378007497.db2.gz WJKXBLKLMHBGKN-UHFFFAOYSA-N 1 0 328.250 3.403 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001140178243 1378026510 /nfs/dbraw/zinc/02/65/10/1378026510.db2.gz FDAHFEDUINMYDU-HNNXBMFYSA-N 1 0 334.460 3.498 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1O ZINC001140178892 1378026708 /nfs/dbraw/zinc/02/67/08/1378026708.db2.gz BSBOWTNVGAZOEC-UHFFFAOYSA-N 1 0 337.423 3.472 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1O ZINC001140181685 1378026994 /nfs/dbraw/zinc/02/69/94/1378026994.db2.gz VADPLLMRDDOCFG-NVXWUHKLSA-N 1 0 346.471 3.450 20 10 EGCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140181858 1378027050 /nfs/dbraw/zinc/02/70/50/1378027050.db2.gz YGANENAUYQREKB-YLJYHZDGSA-N 1 0 333.472 3.417 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC001140182193 1378027333 /nfs/dbraw/zinc/02/73/33/1378027333.db2.gz JYUNRJQDSCNCRW-OAHLLOKOSA-N 1 0 334.460 3.450 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c1O ZINC001140184685 1378028399 /nfs/dbraw/zinc/02/83/99/1378028399.db2.gz DVIOPKBJXAXWEI-UHFFFAOYSA-N 1 0 345.487 3.169 20 10 EGCDRO CC[NH+]1CCN(c2ccc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)cc2)CC1 ZINC001140301983 1378042960 /nfs/dbraw/zinc/04/29/60/1378042960.db2.gz GOVPCJYHQVUYQY-PMACEKPBSA-N 1 0 327.516 3.451 20 10 EGCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC001140342299 1378049866 /nfs/dbraw/zinc/04/98/66/1378049866.db2.gz CHQVNZRUPFKZGD-CYBMUJFWSA-N 1 0 334.803 3.103 20 10 EGCDRO Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342427 1378049972 /nfs/dbraw/zinc/04/99/72/1378049972.db2.gz IYDWBRWRQFTBAP-CYBMUJFWSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC001140342397 1378050098 /nfs/dbraw/zinc/05/00/98/1378050098.db2.gz HQGTYKQAVKUZNM-ZDUSSCGKSA-N 1 0 348.830 3.493 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001140341834 1378050396 /nfs/dbraw/zinc/05/03/96/1378050396.db2.gz JNCPNSMTKFYYNY-SFHVURJKSA-N 1 0 328.843 3.461 20 10 EGCDRO O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140461637 1378066025 /nfs/dbraw/zinc/06/60/25/1378066025.db2.gz OHEGOGSXDWFWMO-UHFFFAOYSA-N 1 0 330.815 3.004 20 10 EGCDRO Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464285 1378066837 /nfs/dbraw/zinc/06/68/37/1378066837.db2.gz JTDDUYLDMJEEQB-OAHLLOKOSA-N 1 0 333.819 3.187 20 10 EGCDRO O=C1[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]2CN1c1ccccc1 ZINC001140465086 1378068519 /nfs/dbraw/zinc/06/85/19/1378068519.db2.gz HVLQKRCHAHDIMD-YOEHRIQHSA-N 1 0 342.826 3.140 20 10 EGCDRO O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467648 1378069111 /nfs/dbraw/zinc/06/91/11/1378069111.db2.gz UAZDQJFIWPPFEE-LJQANCHMSA-N 1 0 348.874 3.270 20 10 EGCDRO Oc1cc(Cl)ccc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001140467503 1378069128 /nfs/dbraw/zinc/06/91/28/1378069128.db2.gz RTUMPGKSWFBWEK-HOTGVXAUSA-N 1 0 343.858 3.004 20 10 EGCDRO O=C1C[C@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1ccccc1O ZINC001272618429 1378076250 /nfs/dbraw/zinc/07/62/50/1378076250.db2.gz HQTFYCQEPBEXJE-FQEVSTJZSA-N 1 0 328.456 3.292 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c1 ZINC001140621208 1378099763 /nfs/dbraw/zinc/09/97/63/1378099763.db2.gz RGAYCILRXAPWOZ-UHFFFAOYSA-N 1 0 339.395 3.149 20 10 EGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)c1 ZINC001140745725 1378128223 /nfs/dbraw/zinc/12/82/23/1378128223.db2.gz MUYKZFOYYUNKQC-SFHVURJKSA-N 1 0 343.423 3.458 20 10 EGCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)n1 ZINC001140747394 1378129043 /nfs/dbraw/zinc/12/90/43/1378129043.db2.gz BLELEISYBCWFEK-AWEZNQCLSA-N 1 0 331.416 3.121 20 10 EGCDRO Cc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749811 1378129710 /nfs/dbraw/zinc/12/97/10/1378129710.db2.gz NQNVNAQIYWSKQV-INIZCTEOSA-N 1 0 328.412 3.153 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)c(O)c1 ZINC001140855982 1378159300 /nfs/dbraw/zinc/15/93/00/1378159300.db2.gz NVKYMTSMOVDHSS-UHFFFAOYSA-N 1 0 344.459 3.309 20 10 EGCDRO Cc1noc(C2CC[NH+](Cc3ccc(N(C)C)cc3Cl)CC2)n1 ZINC001140924642 1378181744 /nfs/dbraw/zinc/18/17/44/1378181744.db2.gz KDCHFCMLBBWPIV-UHFFFAOYSA-N 1 0 334.851 3.477 20 10 EGCDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276837943 1378188566 /nfs/dbraw/zinc/18/85/66/1378188566.db2.gz JYHGNISQMKPLGR-MRXNPFEDSA-N 1 0 328.378 3.329 20 10 EGCDRO Cc1ccc(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)c(O)c1 ZINC001140952106 1378190003 /nfs/dbraw/zinc/19/00/03/1378190003.db2.gz FIBAAMLKDUTLRJ-UHFFFAOYSA-N 1 0 338.455 3.126 20 10 EGCDRO CC(C)(C)NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277210030 1378210464 /nfs/dbraw/zinc/21/04/64/1378210464.db2.gz MURWPYZDWHYOSP-DYESRHJHSA-N 1 0 341.499 3.023 20 10 EGCDRO CC[N@H+](CCc1ccc(OC)cc1)Cc1c(O)cc(OC)cc1OC ZINC001141030977 1378214531 /nfs/dbraw/zinc/21/45/31/1378214531.db2.gz SUIPUPHUTGQEAX-UHFFFAOYSA-N 1 0 345.439 3.483 20 10 EGCDRO FC1CN(C2CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)C1 ZINC001141075841 1378232320 /nfs/dbraw/zinc/23/23/20/1378232320.db2.gz CCNJUYAEFWZBTC-UHFFFAOYSA-N 1 0 343.490 3.004 20 10 EGCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141077950 1378232335 /nfs/dbraw/zinc/23/23/35/1378232335.db2.gz GFUUYTQPGIBJRV-INIZCTEOSA-N 1 0 342.483 3.161 20 10 EGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078466 1378233766 /nfs/dbraw/zinc/23/37/66/1378233766.db2.gz WVWOTEYUNOHLDU-FQEVSTJZSA-N 1 0 327.516 3.302 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001141157424 1378253840 /nfs/dbraw/zinc/25/38/40/1378253840.db2.gz HQBYCEFMUWYUDU-CABCVRRESA-N 1 0 348.443 3.072 20 10 EGCDRO COc1ccccc1S[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162303 1378254963 /nfs/dbraw/zinc/25/49/63/1378254963.db2.gz OMGZRWQDIPYANF-OAHLLOKOSA-N 1 0 331.437 3.473 20 10 EGCDRO CC[N@H+](Cc1ccc(COC(C)=O)o1)Cc1ccc(N(C)C)cc1 ZINC001141793678 1378378171 /nfs/dbraw/zinc/37/81/71/1378378171.db2.gz GAZLQBFLMCZGHE-UHFFFAOYSA-N 1 0 330.428 3.431 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c1O ZINC001143116847 1378543059 /nfs/dbraw/zinc/54/30/59/1378543059.db2.gz MJBILBTWAACLRO-HNNXBMFYSA-N 1 0 345.418 3.272 20 10 EGCDRO Cc1cncnc1O[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116879 1378543245 /nfs/dbraw/zinc/54/32/45/1378543245.db2.gz NBDJZTSNIBOKCO-MRXNPFEDSA-N 1 0 341.455 3.441 20 10 EGCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)CC[C@@H]21 ZINC001143117125 1378543452 /nfs/dbraw/zinc/54/34/52/1378543452.db2.gz USKMSFKYFAHGAT-YOEHRIQHSA-N 1 0 330.472 3.132 20 10 EGCDRO CC[N@H+](Cc1cc(Br)c(F)cc1[O-])C1CCN(C)CC1 ZINC001144299628 1378713325 /nfs/dbraw/zinc/71/33/25/1378713325.db2.gz CRWIWHSCRXHPBB-UHFFFAOYSA-N 1 0 345.256 3.210 20 10 EGCDRO COc1ncc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cc1F ZINC001144463877 1378734505 /nfs/dbraw/zinc/73/45/05/1378734505.db2.gz WCRCQGHSEBAESH-UHFFFAOYSA-N 1 0 329.419 3.462 20 10 EGCDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)cc1 ZINC001144515728 1378739684 /nfs/dbraw/zinc/73/96/84/1378739684.db2.gz WJZLZWMVFCSENK-OAHLLOKOSA-N 1 0 343.423 3.267 20 10 EGCDRO CC[NH+]1CCC(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1 ZINC001146792964 1378920610 /nfs/dbraw/zinc/92/06/10/1378920610.db2.gz RNQNTZYSUZVWEA-IBGZPJMESA-N 1 0 344.499 3.481 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)c2ccc(C)s2)cc1C ZINC001147761601 1379074281 /nfs/dbraw/zinc/07/42/81/1379074281.db2.gz FVHNTVYILFMLHF-OAHLLOKOSA-N 1 0 346.496 3.383 20 10 EGCDRO CC[C@H]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001148515648 1379200220 /nfs/dbraw/zinc/20/02/20/1379200220.db2.gz PBYWHHTVKGGFFC-SAABIXHNSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cnc(C(C)C)s2)cc1C ZINC001153934188 1380157544 /nfs/dbraw/zinc/15/75/44/1380157544.db2.gz GZNMRNIOCZUCFM-UHFFFAOYSA-N 1 0 347.484 3.103 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[C@H]2C)cc1C ZINC001158619101 1381325050 /nfs/dbraw/zinc/32/50/50/1381325050.db2.gz SPJKSTGZJPFWOI-QAPCUYQASA-N 1 0 332.488 3.426 20 10 EGCDRO [NH3+]CCN(c1cnc2c(c1)C1(CC1)C(=O)N2)c1cccc2ccccc21 ZINC001162008616 1382598996 /nfs/dbraw/zinc/59/89/96/1382598996.db2.gz CVLJFUXPHMHENQ-UHFFFAOYSA-N 1 0 344.418 3.315 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@H](C)C3CC3)CC2)cc1C ZINC001163971258 1383141653 /nfs/dbraw/zinc/14/16/53/1383141653.db2.gz UTJADTLVPDTNOJ-MRXNPFEDSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc(O)c(O)c3)CCO2)cc1 ZINC001168603293 1383946554 /nfs/dbraw/zinc/94/65/54/1383946554.db2.gz XFEYFWJXLFDPMO-KXBFYZLASA-N 1 0 329.396 3.116 20 10 EGCDRO C[C@@H]1C[C@H]([N@@H+]2CCc3cccc(O)c3C2)CN1C(=O)OC(C)(C)C ZINC001168872651 1384041643 /nfs/dbraw/zinc/04/16/43/1384041643.db2.gz NXGOJEXWRBUXAA-HIFRSBDPSA-N 1 0 332.444 3.148 20 10 EGCDRO CC1(C)CC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC(C)(C)N1O ZINC001170009057 1384216516 /nfs/dbraw/zinc/21/65/16/1384216516.db2.gz KCRVGFANVAMGEC-UHFFFAOYSA-N 1 0 334.460 3.257 20 10 EGCDRO Oc1cc2ccccc2cc1CNc1c[nH+]ccc1N1CCOCC1 ZINC001171404481 1384513898 /nfs/dbraw/zinc/51/38/98/1384513898.db2.gz DBQSNRJGTASUDX-UHFFFAOYSA-N 1 0 335.407 3.389 20 10 EGCDRO Cc1nccn1-c1cncc(NCc2cc3ccccc3cc2O)n1 ZINC001171402936 1384514045 /nfs/dbraw/zinc/51/40/45/1384514045.db2.gz UOTHCQUCRPYOHL-UHFFFAOYSA-N 1 0 331.379 3.442 20 10 EGCDRO C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC001329025093 1388934227 /nfs/dbraw/zinc/93/42/27/1388934227.db2.gz XSAKIEBRLTVNPT-BDAKNGLRSA-N 1 0 335.673 3.314 20 10 EGCDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001172973304 1384893619 /nfs/dbraw/zinc/89/36/19/1384893619.db2.gz ZPWYWFSODJETKI-CQSZACIVSA-N 1 0 334.460 3.396 20 10 EGCDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001173231537 1384940593 /nfs/dbraw/zinc/94/05/93/1384940593.db2.gz MPUBYDRGBJFNFH-CYBMUJFWSA-N 1 0 342.395 3.385 20 10 EGCDRO COc1ccc(N2CCN(c3ccc(Nc4[nH]cc[nH+]4)cc3)CC2)cc1 ZINC001176085365 1385480545 /nfs/dbraw/zinc/48/05/45/1385480545.db2.gz NHXBVYZSYNQQHM-UHFFFAOYSA-N 1 0 349.438 3.489 20 10 EGCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CC2CCCCC2)cc1 ZINC001177237800 1385880012 /nfs/dbraw/zinc/88/00/12/1385880012.db2.gz KGDKQRWXVAECEQ-UHFFFAOYSA-N 1 0 345.447 3.139 20 10 EGCDRO Cc1ccc2c(/C=C/C(=O)N3CCCc4ccc(C[NH3+])nc43)c[nH]c2c1 ZINC001178495718 1386235614 /nfs/dbraw/zinc/23/56/14/1386235614.db2.gz JHBGCAZVCOALLB-RMKNXTFCSA-N 1 0 346.434 3.323 20 10 EGCDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC001320072124 1386491659 /nfs/dbraw/zinc/49/16/59/1386491659.db2.gz RWYOFXKOHDRDCT-UONOGXRCSA-N 1 0 327.266 3.117 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1cc(Cl)ccc1O ZINC001320878883 1386745818 /nfs/dbraw/zinc/74/58/18/1386745818.db2.gz CXQLIFWYTJYRLP-TZMCWYRMSA-N 1 0 327.852 3.121 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001321753152 1386975865 /nfs/dbraw/zinc/97/58/65/1386975865.db2.gz VODBBYQUHORUPZ-RTBURBONSA-N 1 0 343.515 3.223 20 10 EGCDRO COC(=O)N1CCC(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001322072054 1387045844 /nfs/dbraw/zinc/04/58/44/1387045844.db2.gz AIEPQHGDPSRCHU-DZGCQCFKSA-N 1 0 332.444 3.317 20 10 EGCDRO Cc1cc(C(=O)NCC[NH+]2CC=CC2)c(C)n1-c1ccc(Cl)cc1 ZINC001322074632 1387046446 /nfs/dbraw/zinc/04/64/46/1387046446.db2.gz FUEXGOXNFOMCLW-UHFFFAOYSA-N 1 0 343.858 3.349 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181981234 1387086404 /nfs/dbraw/zinc/08/64/04/1387086404.db2.gz WGFYEQKCHIFCNI-HNAYVOBHSA-N 1 0 344.499 3.479 20 10 EGCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC001322333447 1387161363 /nfs/dbraw/zinc/16/13/63/1387161363.db2.gz HYTOPSKZRYHUBJ-MBOZVWFJSA-N 1 0 330.472 3.055 20 10 EGCDRO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001336766104 1389161928 /nfs/dbraw/zinc/16/19/28/1389161928.db2.gz DPWLQRQYCSPGSB-UHFFFAOYSA-N 1 0 343.515 3.271 20 10 EGCDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(N)cc1)[NH+](C)C ZINC001336890380 1389197251 /nfs/dbraw/zinc/19/72/51/1389197251.db2.gz DTUOPDCTHXNCJV-KXBFYZLASA-N 1 0 340.471 3.068 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(O)c1OC ZINC001342959705 1390677786 /nfs/dbraw/zinc/67/77/86/1390677786.db2.gz IDDXNFLCVHBVEQ-LBPRGKRZSA-N 1 0 346.383 3.477 20 10 EGCDRO COc1cccc(C[NH2+]Cc2sc(N3CCCCC3)nc2C)c1O ZINC001343328405 1390707410 /nfs/dbraw/zinc/70/74/10/1390707410.db2.gz SCZWNCDLGVBBGS-UHFFFAOYSA-N 1 0 347.484 3.446 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@]12C[C@H]1CCC2 ZINC001754058081 1440536488 /nfs/dbraw/zinc/53/64/88/1440536488.db2.gz QBQQXAQSAMLVBR-YLJYHZDGSA-N 1 0 330.472 3.132 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001754106485 1440541469 /nfs/dbraw/zinc/54/14/69/1440541469.db2.gz FBPKNULFPYABPV-ONEGZZNKSA-N 1 0 347.846 3.061 20 10 EGCDRO CCCc1[nH]ccc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001754280462 1440562993 /nfs/dbraw/zinc/56/29/93/1440562993.db2.gz VYVXRGYBMBHWGM-HNNXBMFYSA-N 1 0 343.471 3.192 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)/C=C\c3ccco3)CC2)cc1C ZINC001754506874 1440616581 /nfs/dbraw/zinc/61/65/81/1440616581.db2.gz WSDRHWRDMGODTA-VURMDHGXSA-N 1 0 340.423 3.048 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826268640 947775822 /nfs/dbraw/zinc/77/58/22/947775822.db2.gz HGVKVKDXJFLFKI-AWEZNQCLSA-N 1 0 336.443 3.092 20 10 EGCDRO C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593220632 994314974 /nfs/dbraw/zinc/31/49/74/994314974.db2.gz USSBMWIISYNBLW-CYBMUJFWSA-N 1 0 332.444 3.148 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000779076631 1126109511 /nfs/dbraw/zinc/10/95/11/1126109511.db2.gz DBEGUQAVGRNBQA-ZBFHGGJFSA-N 1 0 343.320 3.155 20 10 EGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001334902359 1126179907 /nfs/dbraw/zinc/17/99/07/1126179907.db2.gz MLJCWACTUBGLGN-INIZCTEOSA-N 1 0 334.410 3.032 20 10 EGCDRO Cc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCCC2)cc1 ZINC000237878512 455228116 /nfs/dbraw/zinc/22/81/16/455228116.db2.gz LLZYPSATOVVRLE-HXUWFJFHSA-N 1 0 337.467 3.073 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000264741226 455274049 /nfs/dbraw/zinc/27/40/49/455274049.db2.gz UATRPMUFHKBMBB-QUCCMNQESA-N 1 0 345.414 3.246 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000066688656 453862388 /nfs/dbraw/zinc/86/23/88/453862388.db2.gz LWALDSFGCKWUKG-UHFFFAOYSA-N 1 0 333.476 3.187 20 10 EGCDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000120320097 454285898 /nfs/dbraw/zinc/28/58/98/454285898.db2.gz DYNHIBWYIKYKHH-INIZCTEOSA-N 1 0 341.455 3.351 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000090181565 454290944 /nfs/dbraw/zinc/29/09/44/454290944.db2.gz SYPXNRMSQJQYBC-WBVHZDCISA-N 1 0 327.472 3.091 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1O ZINC000079465169 454419891 /nfs/dbraw/zinc/41/98/91/454419891.db2.gz RCTCEGLGGUWLRX-SFHVURJKSA-N 1 0 331.387 3.289 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000097907396 454446350 /nfs/dbraw/zinc/44/63/50/454446350.db2.gz RQNVXGNNXFOHFA-KRWDZBQOSA-N 1 0 346.471 3.370 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079724067 454469792 /nfs/dbraw/zinc/46/97/92/454469792.db2.gz SVKPJZBICJLMRW-OAHLLOKOSA-N 1 0 341.411 3.282 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cn1 ZINC000092740580 454622537 /nfs/dbraw/zinc/62/25/37/454622537.db2.gz PNMAONVKFFAIPQ-ZDUSSCGKSA-N 1 0 347.409 3.172 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N(C)C)cc1 ZINC000123991741 454692925 /nfs/dbraw/zinc/69/29/25/454692925.db2.gz RTKXTZDRVUEHLY-YJBOKZPZSA-N 1 0 337.467 3.488 20 10 EGCDRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093420546 454715647 /nfs/dbraw/zinc/71/56/47/454715647.db2.gz PWJPEJVRQIEQEL-CABCVRRESA-N 1 0 347.480 3.313 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000124328887 454719588 /nfs/dbraw/zinc/71/95/88/454719588.db2.gz UFXQKXZYVZEQIS-KGLIPLIRSA-N 1 0 329.410 3.287 20 10 EGCDRO CC[N@H+](Cc1cn(C)nc1C)Cc1cc(Br)ccc1O ZINC000093866934 454740770 /nfs/dbraw/zinc/74/07/70/454740770.db2.gz CCVUAEDJSZRSFS-UHFFFAOYSA-N 1 0 338.249 3.219 20 10 EGCDRO CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)cc1 ZINC000109769971 454836197 /nfs/dbraw/zinc/83/61/97/454836197.db2.gz CYLLBEOBHVQFQU-CYBMUJFWSA-N 1 0 326.396 3.054 20 10 EGCDRO CN(Cc1ccc(S(=O)(=O)C(F)F)cc1)Cc1ccccc1O ZINC000111235112 454859278 /nfs/dbraw/zinc/85/92/78/454859278.db2.gz AOJXWEYIKKQNRH-UHFFFAOYSA-N 1 0 341.379 3.021 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000177578189 454879740 /nfs/dbraw/zinc/87/97/40/454879740.db2.gz HLXXLJLYYBFCQU-DLBZAZTESA-N 1 0 340.471 3.092 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000164517153 454883848 /nfs/dbraw/zinc/88/38/48/454883848.db2.gz KAPVPBQICOONPH-GDBMZVCRSA-N 1 0 333.476 3.413 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000165609553 454901243 /nfs/dbraw/zinc/90/12/43/454901243.db2.gz JFVWMUPBJCNCCI-UHFFFAOYSA-N 1 0 343.515 3.128 20 10 EGCDRO COc1cccc([C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)N(C)C)c1 ZINC000126974166 454929795 /nfs/dbraw/zinc/92/97/95/454929795.db2.gz WMSTVWHQBJVKRC-LJQANCHMSA-N 1 0 326.440 3.023 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000170646394 454948300 /nfs/dbraw/zinc/94/83/00/454948300.db2.gz OEEUGYHNOZCTDD-MRXNPFEDSA-N 1 0 334.460 3.498 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c(O)c1 ZINC000185063875 455494861 /nfs/dbraw/zinc/49/48/61/455494861.db2.gz UDEUQLVHXQZXJP-HNNXBMFYSA-N 1 0 342.439 3.018 20 10 EGCDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151537153 454998131 /nfs/dbraw/zinc/99/81/31/454998131.db2.gz DWGYMNJYKZRNEF-INIZCTEOSA-N 1 0 338.467 3.082 20 10 EGCDRO CC(C)C(=O)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000151925324 455049108 /nfs/dbraw/zinc/04/91/08/455049108.db2.gz NGWHERCYJIIPPT-UHFFFAOYSA-N 1 0 326.440 3.236 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O ZINC000179767199 455075951 /nfs/dbraw/zinc/07/59/51/455075951.db2.gz YMPKHNSCNRYGDD-OAHLLOKOSA-N 1 0 330.472 3.171 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)Cc3c(C)noc3C)CC2)cc1 ZINC000152126830 455076267 /nfs/dbraw/zinc/07/62/67/455076267.db2.gz NESYYJWZGLWRHK-CQSZACIVSA-N 1 0 343.471 3.490 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c(O)c1 ZINC000180130082 455136820 /nfs/dbraw/zinc/13/68/20/455136820.db2.gz UKJOEQABSLBSAB-KRWDZBQOSA-N 1 0 329.444 3.351 20 10 EGCDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)cc1 ZINC000183432862 455293031 /nfs/dbraw/zinc/29/30/31/455293031.db2.gz LWAHVJUBRZLKKC-PXNSSMCTSA-N 1 0 340.467 3.425 20 10 EGCDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccc1O ZINC000183474508 455297738 /nfs/dbraw/zinc/29/77/38/455297738.db2.gz UXZLRWHMTGLYFS-QFBILLFUSA-N 1 0 338.451 3.277 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c(O)c1 ZINC000184853206 455461294 /nfs/dbraw/zinc/46/12/94/455461294.db2.gz OFXIINAXMMWWLF-DOTOQJQBSA-N 1 0 346.496 3.486 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000184894114 455468447 /nfs/dbraw/zinc/46/84/47/455468447.db2.gz QMCOWNOMFQDOAG-QGZVFWFLSA-N 1 0 340.467 3.384 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c(O)c1 ZINC000184904232 455469641 /nfs/dbraw/zinc/46/96/41/455469641.db2.gz NSUFZFKGJHBLLC-YLJYHZDGSA-N 1 0 340.467 3.425 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000184923748 455473918 /nfs/dbraw/zinc/47/39/18/455473918.db2.gz NRKFOMSZSKECQV-OAHLLOKOSA-N 1 0 326.440 3.110 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000184979566 455480031 /nfs/dbraw/zinc/48/00/31/455480031.db2.gz PJTBKWJJFNYDCL-CQSZACIVSA-N 1 0 328.412 3.249 20 10 EGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000185122765 455505770 /nfs/dbraw/zinc/50/57/70/455505770.db2.gz JKQYXPODRZXPSF-ZIAGYGMSSA-N 1 0 348.468 3.021 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000185166739 455515331 /nfs/dbraw/zinc/51/53/31/455515331.db2.gz YAJOTMGGLFKBJW-OAHLLOKOSA-N 1 0 333.453 3.215 20 10 EGCDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc(Br)ccc1O ZINC000185312829 455537702 /nfs/dbraw/zinc/53/77/02/455537702.db2.gz DCASBHYZYXVPJQ-LLVKDONJSA-N 1 0 338.249 3.172 20 10 EGCDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185377213 455550379 /nfs/dbraw/zinc/55/03/79/455550379.db2.gz VIGDEJUEMYSWPA-AWEZNQCLSA-N 1 0 326.440 3.455 20 10 EGCDRO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Br)ccc1O ZINC000185474495 455562776 /nfs/dbraw/zinc/56/27/76/455562776.db2.gz GTBFCULTKMNTHH-GIGQVBGESA-N 1 0 348.306 3.353 20 10 EGCDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000185671447 455592791 /nfs/dbraw/zinc/59/27/91/455592791.db2.gz DZFPRTGQSRZETH-CQSZACIVSA-N 1 0 340.423 3.053 20 10 EGCDRO COc1ccc(N(C[C@@H]2CCCS(=O)(=O)C2)[C@@H](C)C2CC2)cc1 ZINC000283966273 455616966 /nfs/dbraw/zinc/61/69/66/455616966.db2.gz FCHOORBUOAEHKV-GJZGRUSLSA-N 1 0 337.485 3.125 20 10 EGCDRO C[C@H]([NH2+]CCCc1nccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271435627 455635618 /nfs/dbraw/zinc/63/56/18/455635618.db2.gz CRVALHHNKGUUHK-AWEZNQCLSA-N 1 0 349.475 3.402 20 10 EGCDRO CO[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000284174948 455646383 /nfs/dbraw/zinc/64/63/83/455646383.db2.gz XZAGTZKUYTYTNP-OAQYLSRUSA-N 1 0 340.467 3.343 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(C)(C)n2cncn2)cc1F ZINC000284301340 455665008 /nfs/dbraw/zinc/66/50/08/455665008.db2.gz YQHJXRJRXKKGCG-AWEZNQCLSA-N 1 0 333.455 3.177 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190633 455712349 /nfs/dbraw/zinc/71/23/49/455712349.db2.gz WXAIAFKMVOBGHB-WMZOPIPTSA-N 1 0 338.451 3.400 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000186191114 455713185 /nfs/dbraw/zinc/71/31/85/455713185.db2.gz IGIAACNPWSPPHL-WMZOPIPTSA-N 1 0 338.451 3.400 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000292715658 455739305 /nfs/dbraw/zinc/73/93/05/455739305.db2.gz DTFBSPWFCADLJA-AWEZNQCLSA-N 1 0 325.836 3.303 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1N(C)C ZINC000293443091 455786845 /nfs/dbraw/zinc/78/68/45/455786845.db2.gz CBPHIRGYDOPJLO-MRXNPFEDSA-N 1 0 330.394 3.340 20 10 EGCDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000186529074 455787056 /nfs/dbraw/zinc/78/70/56/455787056.db2.gz NMDVCLUFFDAKBL-ZMUQKWFASA-N 1 0 327.424 3.388 20 10 EGCDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000293788077 455797575 /nfs/dbraw/zinc/79/75/75/455797575.db2.gz UCIZIYIBKHZDTF-MRXNPFEDSA-N 1 0 327.476 3.089 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1N(C)C ZINC000294024915 455802924 /nfs/dbraw/zinc/80/29/24/455802924.db2.gz HREDDSVTAQJTGX-GOEBONIOSA-N 1 0 330.394 3.196 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)ccc1N(C)C ZINC000294553117 455818854 /nfs/dbraw/zinc/81/88/54/455818854.db2.gz KXDOHMKASYFBTK-FDDCHVKYSA-N 1 0 330.497 3.270 20 10 EGCDRO Cc1nccnc1CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000295114463 455838721 /nfs/dbraw/zinc/83/87/21/455838721.db2.gz XTRAUFJEJWRZHB-SNVBAGLBSA-N 1 0 336.233 3.146 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COCc1ccccc1Cl ZINC000269602806 455850365 /nfs/dbraw/zinc/85/03/65/455850365.db2.gz AUBSFFATKVQVCL-INIZCTEOSA-N 1 0 335.831 3.055 20 10 EGCDRO O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295828997 455860954 /nfs/dbraw/zinc/86/09/54/455860954.db2.gz DVEMILUGCNUPMH-GOSISDBHSA-N 1 0 336.435 3.292 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)CC2 ZINC000296129497 455869677 /nfs/dbraw/zinc/86/96/77/455869677.db2.gz VSLINMREBVXAFJ-MOPGFXCFSA-N 1 0 338.451 3.043 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)CC2 ZINC000296129512 455869778 /nfs/dbraw/zinc/86/97/78/455869778.db2.gz VSLINMREBVXAFJ-RTBURBONSA-N 1 0 338.451 3.043 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296308798 455905496 /nfs/dbraw/zinc/90/54/96/455905496.db2.gz NFAACOFYNXBTPZ-UHFFFAOYSA-N 1 0 330.472 3.057 20 10 EGCDRO Cc1c(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cnn1C ZINC000187403273 455905727 /nfs/dbraw/zinc/90/57/27/455905727.db2.gz AIAGFYHJKHXHOS-SNVBAGLBSA-N 1 0 338.249 3.356 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000187514911 455919645 /nfs/dbraw/zinc/91/96/45/455919645.db2.gz ORXGDTRUDFLUJO-IBGZPJMESA-N 1 0 325.387 3.452 20 10 EGCDRO Cc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000187528105 455920758 /nfs/dbraw/zinc/92/07/58/455920758.db2.gz VMALRRIAEZTLSW-SFHVURJKSA-N 1 0 325.387 3.452 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000187528191 455921332 /nfs/dbraw/zinc/92/13/32/455921332.db2.gz ZTWNBKYNTXZGIP-IBGZPJMESA-N 1 0 341.386 3.153 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccc(C)cc1O ZINC000280289840 455937941 /nfs/dbraw/zinc/93/79/41/455937941.db2.gz ZDACYBHVFBIEHM-GOSISDBHSA-N 1 0 342.439 3.066 20 10 EGCDRO COC[C@]1(C)CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000296563626 455974396 /nfs/dbraw/zinc/97/43/96/455974396.db2.gz CPXJWJAOENHUJQ-HXUWFJFHSA-N 1 0 332.488 3.160 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000272669252 456034101 /nfs/dbraw/zinc/03/41/01/456034101.db2.gz OZXJLKWOTLCLAN-UHFFFAOYSA-N 1 0 346.519 3.064 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCn2cc(Br)cn2)c1 ZINC000287196323 456063993 /nfs/dbraw/zinc/06/39/93/456063993.db2.gz DNFQQCHOVOFLME-GFCCVEGCSA-N 1 0 338.249 3.401 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1O ZINC000287394495 456068525 /nfs/dbraw/zinc/06/85/25/456068525.db2.gz IUZPPEXLYBRYLS-WBVHZDCISA-N 1 0 331.460 3.113 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000287593062 456073456 /nfs/dbraw/zinc/07/34/56/456073456.db2.gz RSMMJKLINOXOQA-HOTGVXAUSA-N 1 0 331.460 3.031 20 10 EGCDRO FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000287599399 456073689 /nfs/dbraw/zinc/07/36/89/456073689.db2.gz INQIZORHBDYKPT-HOCLYGCPSA-N 1 0 328.378 3.486 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000262984488 456074700 /nfs/dbraw/zinc/07/47/00/456074700.db2.gz ZCBFHFUBMQYRLC-WBMJQRKESA-N 1 0 329.419 3.104 20 10 EGCDRO CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000287768761 456077507 /nfs/dbraw/zinc/07/75/07/456077507.db2.gz RLFZRIGHWLUYBZ-KRWDZBQOSA-N 1 0 339.911 3.114 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287770033 456077670 /nfs/dbraw/zinc/07/76/70/456077670.db2.gz RLIQJGLEZDWWNM-SWLSCSKDSA-N 1 0 347.286 3.196 20 10 EGCDRO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H](c1ccccc1)[NH+](C)C ZINC000288150282 456088631 /nfs/dbraw/zinc/08/86/31/456088631.db2.gz NVJNQGQCJSSLAX-HNAYVOBHSA-N 1 0 341.455 3.225 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1C ZINC000288359358 456092701 /nfs/dbraw/zinc/09/27/01/456092701.db2.gz CSGYILHWZSRRLA-KRWDZBQOSA-N 1 0 342.439 3.104 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000288514999 456098119 /nfs/dbraw/zinc/09/81/19/456098119.db2.gz UBRJVOHBAAZMTI-CYBMUJFWSA-N 1 0 348.830 3.146 20 10 EGCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000271054005 456113824 /nfs/dbraw/zinc/11/38/24/456113824.db2.gz YGKQDPVFGNVKQE-ZDUSSCGKSA-N 1 0 342.830 3.468 20 10 EGCDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271055338 456114610 /nfs/dbraw/zinc/11/46/10/456114610.db2.gz ACJURLBSIAYDKW-GDIGMMSISA-N 1 0 349.471 3.435 20 10 EGCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1O ZINC000289543864 456129563 /nfs/dbraw/zinc/12/95/63/456129563.db2.gz XAMYYFXBMDUVOL-ZDUSSCGKSA-N 1 0 331.412 3.226 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289587521 456132880 /nfs/dbraw/zinc/13/28/80/456132880.db2.gz BTPNPHNJTZYYTA-QMIHWGKISA-N 1 0 327.424 3.218 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)c(C)n1-c1cccc(Cl)c1 ZINC000273005628 456141941 /nfs/dbraw/zinc/14/19/41/456141941.db2.gz IEGXRGNKKFRTJE-AWEZNQCLSA-N 1 0 331.847 3.087 20 10 EGCDRO COC[C@@]1(C[NH2+][C@@H](C)c2cc(F)ccc2O)OCCc2ccccc21 ZINC000289802789 456143493 /nfs/dbraw/zinc/14/34/93/456143493.db2.gz OBFDESDAVJQSMA-VBKZILBWSA-N 1 0 345.414 3.297 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289967774 456198457 /nfs/dbraw/zinc/19/84/57/456198457.db2.gz VXFJPAHZTIDYCU-AZUAARDMSA-N 1 0 327.424 3.047 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000289970680 456201428 /nfs/dbraw/zinc/20/14/28/456201428.db2.gz ZBHSUZSAHKQBFA-AWEZNQCLSA-N 1 0 329.356 3.041 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000290007341 456213285 /nfs/dbraw/zinc/21/32/85/456213285.db2.gz DKUNIHNESKXKRN-UHFFFAOYSA-N 1 0 347.846 3.339 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c(O)c1C ZINC000273305081 456222777 /nfs/dbraw/zinc/22/27/77/456222777.db2.gz CPLAQCNZSVNOIS-MRXNPFEDSA-N 1 0 336.439 3.500 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c(O)c1C ZINC000273300222 456222893 /nfs/dbraw/zinc/22/28/93/456222893.db2.gz BDWWTZKQHFEVNL-CQSZACIVSA-N 1 0 348.468 3.231 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c(O)c1C ZINC000273432979 456230224 /nfs/dbraw/zinc/23/02/24/456230224.db2.gz WIRALZKWKVPAAV-ZBFHGGJFSA-N 1 0 333.403 3.239 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1F ZINC000237086728 456230558 /nfs/dbraw/zinc/23/05/58/456230558.db2.gz INCPFVPPQLYPNO-UHFFFAOYSA-N 1 0 333.373 3.008 20 10 EGCDRO C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1cc(F)ccc1O ZINC000273514684 456236208 /nfs/dbraw/zinc/23/62/08/456236208.db2.gz SFLWKUQUQLKPMN-BBRMVZONSA-N 1 0 344.434 3.240 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c(O)c1C ZINC000273576940 456238611 /nfs/dbraw/zinc/23/86/11/456238611.db2.gz MAZYAZKNBRXAOO-OAHLLOKOSA-N 1 0 347.480 3.404 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC)nc2OC)cc1 ZINC000290111776 456243812 /nfs/dbraw/zinc/24/38/12/456243812.db2.gz IRCFTICHVUHPQX-CQSZACIVSA-N 1 0 329.444 3.406 20 10 EGCDRO COCCOCCOCCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000274680721 456263556 /nfs/dbraw/zinc/26/35/56/456263556.db2.gz RFDVVPWNDLYGQD-MRXNPFEDSA-N 1 0 347.455 3.266 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1O ZINC000274783212 456264420 /nfs/dbraw/zinc/26/44/20/456264420.db2.gz PTKNENJJOBFECH-MSOLQXFVSA-N 1 0 339.439 3.019 20 10 EGCDRO CCC[NH+](CCC)CCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274959301 456268487 /nfs/dbraw/zinc/26/84/87/456268487.db2.gz TZUNNVMHMJZBGD-HNNXBMFYSA-N 1 0 336.476 3.047 20 10 EGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1O ZINC000275662200 456279895 /nfs/dbraw/zinc/27/98/95/456279895.db2.gz VACDNEWCBSSPLQ-DOTOQJQBSA-N 1 0 335.835 3.097 20 10 EGCDRO CSC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000290322531 456290790 /nfs/dbraw/zinc/29/07/90/456290790.db2.gz AAPADMXLVYJLDQ-UHFFFAOYSA-N 1 0 338.492 3.162 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000281928055 456365012 /nfs/dbraw/zinc/36/50/12/456365012.db2.gz KDGKFHIOSUSJTB-INIZCTEOSA-N 1 0 343.446 3.434 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000291076978 456520741 /nfs/dbraw/zinc/52/07/41/456520741.db2.gz TYPIVKAZTQWSKV-AWEZNQCLSA-N 1 0 330.403 3.156 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000282461927 456522855 /nfs/dbraw/zinc/52/28/55/456522855.db2.gz NADZHOIWFOPWQY-CQSZACIVSA-N 1 0 331.416 3.318 20 10 EGCDRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000291171792 456555049 /nfs/dbraw/zinc/55/50/49/456555049.db2.gz JZDNWONIORFCIM-KUHUBIRLSA-N 1 0 336.451 3.128 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c(O)c1 ZINC000291327894 456606762 /nfs/dbraw/zinc/60/67/62/456606762.db2.gz UHXYECWIJYRIAD-NRFANRHFSA-N 1 0 341.451 3.317 20 10 EGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccccc1O ZINC000282732001 456606976 /nfs/dbraw/zinc/60/69/76/456606976.db2.gz MQLKAGDHGBOBQU-GOSISDBHSA-N 1 0 347.480 3.090 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000291336026 456609271 /nfs/dbraw/zinc/60/92/71/456609271.db2.gz VHACZHDKUFMTGT-CQSZACIVSA-N 1 0 336.233 3.107 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276925961 456621272 /nfs/dbraw/zinc/62/12/72/456621272.db2.gz NIKUEQFRFDCGSC-KSSFIOAISA-N 1 0 346.471 3.375 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000292102719 456856178 /nfs/dbraw/zinc/85/61/78/456856178.db2.gz OPQUFYLLVIOHDA-GOSISDBHSA-N 1 0 329.488 3.071 20 10 EGCDRO CC(C)OC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000364197291 457522338 /nfs/dbraw/zinc/52/23/38/457522338.db2.gz SNXKYXKPGOOESO-HXUWFJFHSA-N 1 0 332.488 3.303 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cnn(C)c3C)CC2)cc1 ZINC000370671303 457697176 /nfs/dbraw/zinc/69/71/76/457697176.db2.gz PMADELAZDDAMHH-CQSZACIVSA-N 1 0 328.460 3.057 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000358100130 457785004 /nfs/dbraw/zinc/78/50/04/457785004.db2.gz XJPLQYRYIDULOT-CQSZACIVSA-N 1 0 330.476 3.015 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000366053417 457790289 /nfs/dbraw/zinc/79/02/89/457790289.db2.gz WHLGENKOYUCBHC-OAHLLOKOSA-N 1 0 334.803 3.103 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000366231021 457802478 /nfs/dbraw/zinc/80/24/78/457802478.db2.gz FBMLXRKAVDPNIZ-AWEZNQCLSA-N 1 0 328.460 3.057 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000367690769 457971744 /nfs/dbraw/zinc/97/17/44/457971744.db2.gz ZJXCDNUJDYRIPJ-VQTJNVASSA-N 1 0 344.499 3.162 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000369100740 458082170 /nfs/dbraw/zinc/08/21/70/458082170.db2.gz RIQONPBJNBKWFP-IBGZPJMESA-N 1 0 342.487 3.202 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000472047581 458763601 /nfs/dbraw/zinc/76/36/01/458763601.db2.gz LGJAXXFWASWQRR-HNNXBMFYSA-N 1 0 344.503 3.262 20 10 EGCDRO COC[C@@]1([NH2+]Cc2cc(C)c(C)cc2O)COc2ccccc2C1 ZINC000527802138 459742342 /nfs/dbraw/zinc/74/23/42/459742342.db2.gz ZSWBPYHTSRTWPD-HXUWFJFHSA-N 1 0 327.424 3.119 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)OC)c1 ZINC000527929378 459774554 /nfs/dbraw/zinc/77/45/54/459774554.db2.gz RTNFTSMMHLFBLH-DJJJIMSYSA-N 1 0 331.412 3.448 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000726707682 574567402 /nfs/dbraw/zinc/56/74/02/574567402.db2.gz FLXLYGZSCOSSPO-RBUKOAKNSA-N 1 0 345.531 3.376 20 10 EGCDRO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000729542500 574870121 /nfs/dbraw/zinc/87/01/21/574870121.db2.gz IZCIYBAGPVHXDW-LJQANCHMSA-N 1 0 331.504 3.222 20 10 EGCDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000731450528 575074684 /nfs/dbraw/zinc/07/46/84/575074684.db2.gz ILESYOYVIMBOHR-HNNXBMFYSA-N 1 0 344.430 3.089 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCNC(=O)c2ccc(F)cc2)cc1 ZINC000731453216 575074934 /nfs/dbraw/zinc/07/49/34/575074934.db2.gz YAHQQIFNBAGRSP-UHFFFAOYSA-N 1 0 343.446 3.192 20 10 EGCDRO COc1cccc(C[NH2+]CC(=O)Nc2cccc3ccccc32)c1O ZINC000732231752 575247444 /nfs/dbraw/zinc/24/74/44/575247444.db2.gz XYXBJYYZMNAUBQ-UHFFFAOYSA-N 1 0 336.391 3.282 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCc2ccccc21 ZINC000733324378 575327776 /nfs/dbraw/zinc/32/77/76/575327776.db2.gz UOJNKQKOIRYMNU-OAHLLOKOSA-N 1 0 327.447 3.433 20 10 EGCDRO CN(C)C(=O)C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000733325687 575327962 /nfs/dbraw/zinc/32/79/62/575327962.db2.gz TVQYESRYLCOMMI-SFHVURJKSA-N 1 0 343.446 3.201 20 10 EGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000733329193 575328321 /nfs/dbraw/zinc/32/83/21/575328321.db2.gz OZKFYBDRGFIXOR-OAHLLOKOSA-N 1 0 348.512 3.315 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)C(C)(C)C)cc2F)CC1 ZINC000734389874 575484345 /nfs/dbraw/zinc/48/43/45/575484345.db2.gz AEGJEWXAISTBLT-HNNXBMFYSA-N 1 0 349.494 3.266 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000734844162 575559565 /nfs/dbraw/zinc/55/95/65/575559565.db2.gz WUIKZQRAANNNLK-RDJZCZTQSA-N 1 0 339.357 3.325 20 10 EGCDRO CCOc1ccc(C[NH2+]CCCc2nc3ccccc3n2C)c(O)c1 ZINC000736642375 575997291 /nfs/dbraw/zinc/99/72/91/575997291.db2.gz VFPDQGPACVLMBN-UHFFFAOYSA-N 1 0 339.439 3.400 20 10 EGCDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(Br)cc1O ZINC000756470476 576138688 /nfs/dbraw/zinc/13/86/88/576138688.db2.gz QNKIEHKYOZYNRJ-QMMMGPOBSA-N 1 0 342.155 3.384 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@H](c3ccccc3)C1)OCO2 ZINC000738244722 576305296 /nfs/dbraw/zinc/30/52/96/576305296.db2.gz ICNBNXPSZKOLTR-SFHVURJKSA-N 1 0 329.421 3.411 20 10 EGCDRO CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000740017933 576533475 /nfs/dbraw/zinc/53/34/75/576533475.db2.gz IJRNVCZCEYLXSX-WOJBJXKFSA-N 1 0 346.515 3.453 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000743310547 576805465 /nfs/dbraw/zinc/80/54/65/576805465.db2.gz JRZMVZOSZVQGEK-GOSISDBHSA-N 1 0 346.519 3.062 20 10 EGCDRO COC(=O)CC[N@H+](Cc1cc(C(C)C)c(C)cc1O)C1CCOCC1 ZINC000743404040 576808656 /nfs/dbraw/zinc/80/86/56/576808656.db2.gz GYUOJBBECIVTEQ-UHFFFAOYSA-N 1 0 349.471 3.368 20 10 EGCDRO C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000743716288 576815179 /nfs/dbraw/zinc/81/51/79/576815179.db2.gz ODMDMRBEFVVVFA-RBSFLKMASA-N 1 0 330.472 3.149 20 10 EGCDRO CC[C@H]([NH2+]CC1(N(C)C)CC1)c1cc(Br)ccc1O ZINC000397905736 1297707191 /nfs/dbraw/zinc/70/71/91/1297707191.db2.gz XFWZCIMIQDWXLF-ZDUSSCGKSA-N 1 0 327.266 3.290 20 10 EGCDRO Cc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000038635602 1291404045 /nfs/dbraw/zinc/40/40/45/1291404045.db2.gz ZORARFUQBCGSBG-LJQANCHMSA-N 1 0 340.471 3.485 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000066688269 1292127596 /nfs/dbraw/zinc/12/75/96/1292127596.db2.gz XDJLXECQZHTLFX-UHFFFAOYSA-N 1 0 335.492 3.433 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OCCO)c(OC)c2)cc1C ZINC000067718460 1292170705 /nfs/dbraw/zinc/17/07/05/1292170705.db2.gz KGQIYGGXBYLRGD-HNNXBMFYSA-N 1 0 345.439 3.234 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000072823629 1292292197 /nfs/dbraw/zinc/29/21/97/1292292197.db2.gz BPLPRMAOOMYMRO-AWEZNQCLSA-N 1 0 345.874 3.373 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COCc1ccccc1F ZINC000076074437 1292418914 /nfs/dbraw/zinc/41/89/14/1292418914.db2.gz URPRYCUDJCWFJU-GOSISDBHSA-N 1 0 347.430 3.321 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC(C)(C)[C@H]3C)cc2)CC1 ZINC000828059189 1292425899 /nfs/dbraw/zinc/42/58/99/1292425899.db2.gz NABKWRWCMDZBAJ-MRXNPFEDSA-N 1 0 332.488 3.301 20 10 EGCDRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccccc1O ZINC000828539140 1292472415 /nfs/dbraw/zinc/47/24/15/1292472415.db2.gz IYCDVEKACCPGBC-CQSZACIVSA-N 1 0 328.412 3.462 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092704267 1292886790 /nfs/dbraw/zinc/88/67/90/1292886790.db2.gz WADQZESAIXFNNN-CYBMUJFWSA-N 1 0 326.824 3.145 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000093280832 1292913920 /nfs/dbraw/zinc/91/39/20/1292913920.db2.gz INQQVJNEQUGPMR-QGZVFWFLSA-N 1 0 331.504 3.127 20 10 EGCDRO Fc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093383756 1292917427 /nfs/dbraw/zinc/91/74/27/1292917427.db2.gz ACCNCZNVEKHSKU-UHFFFAOYSA-N 1 0 326.415 3.221 20 10 EGCDRO C[C@H](CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832267375 1292979576 /nfs/dbraw/zinc/97/95/76/1292979576.db2.gz REKPRELSVCDLAA-OXQOHEQNSA-N 1 0 339.483 3.453 20 10 EGCDRO CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1(C)C ZINC000832279342 1292980768 /nfs/dbraw/zinc/98/07/68/1292980768.db2.gz JECHWNOSPRJQPP-FGTMMUONSA-N 1 0 329.488 3.107 20 10 EGCDRO CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000832284223 1292981735 /nfs/dbraw/zinc/98/17/35/1292981735.db2.gz IIIDXAOZPFAHMJ-RBUKOAKNSA-N 1 0 343.446 3.202 20 10 EGCDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834534175 1293112385 /nfs/dbraw/zinc/11/23/85/1293112385.db2.gz HEWXSGBASLCKLT-IAGOWNOFSA-N 1 0 327.424 3.026 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c(O)c1C ZINC000834899854 1293169478 /nfs/dbraw/zinc/16/94/78/1293169478.db2.gz RHCUVGGDNCZYFM-DAYGRLMNSA-N 1 0 329.444 3.313 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Cl)ccc1O ZINC000834900089 1293169694 /nfs/dbraw/zinc/16/96/94/1293169694.db2.gz SVRRQFMZFJNJAJ-PLQHRBFRSA-N 1 0 335.835 3.350 20 10 EGCDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834903561 1293171131 /nfs/dbraw/zinc/17/11/31/1293171131.db2.gz KTTBYRDWCBIGJU-CVEARBPZSA-N 1 0 336.451 3.130 20 10 EGCDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000834907314 1293172599 /nfs/dbraw/zinc/17/25/99/1293172599.db2.gz NRHZHLRKRDLLIT-ZIFCJYIRSA-N 1 0 338.451 3.310 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccccc1)c1ccc(C)cc1O ZINC000834913605 1293175279 /nfs/dbraw/zinc/17/52/79/1293175279.db2.gz IDNXJJXRDBGSPG-VQIMIIECSA-N 1 0 340.467 3.489 20 10 EGCDRO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc2c(cc1O)CCCC2 ZINC000834915248 1293176347 /nfs/dbraw/zinc/17/63/47/1293176347.db2.gz QLAWPQRVUBYNPD-XCRHUMRWSA-N 1 0 328.456 3.075 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000115280560 1293185933 /nfs/dbraw/zinc/18/59/33/1293185933.db2.gz VNJGZFRLOHYEJO-UHFFFAOYSA-N 1 0 325.456 3.053 20 10 EGCDRO CC[C@@H]1CC(=O)N(CN(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000119159835 1293257459 /nfs/dbraw/zinc/25/74/59/1293257459.db2.gz PKLHGWQGMRTXEM-QGZVFWFLSA-N 1 0 329.488 3.325 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000121142594 1293358075 /nfs/dbraw/zinc/35/80/75/1293358075.db2.gz NWUZWFYORAHWMI-MRXNPFEDSA-N 1 0 339.357 3.446 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC000121737322 1293387123 /nfs/dbraw/zinc/38/71/23/1293387123.db2.gz AVGYYZNVIMYSGP-UHFFFAOYSA-N 1 0 340.471 3.245 20 10 EGCDRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000121899581 1293395008 /nfs/dbraw/zinc/39/50/08/1293395008.db2.gz KTNWPPAHRSSWMY-AWEZNQCLSA-N 1 0 340.895 3.378 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000123841220 1293457343 /nfs/dbraw/zinc/45/73/43/1293457343.db2.gz IQPRBIFCUIPAHZ-HXUWFJFHSA-N 1 0 338.451 3.257 20 10 EGCDRO Cc1ccsc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000126478759 1293535388 /nfs/dbraw/zinc/53/53/88/1293535388.db2.gz OIYYLONPLZJGQA-LCYFTJDESA-N 1 0 338.523 3.352 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000126850951 1293546260 /nfs/dbraw/zinc/54/62/60/1293546260.db2.gz XDSBFHBDPPMEAF-QAPCUYQASA-N 1 0 329.488 3.194 20 10 EGCDRO CC[C@@H](COC)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130099164 1293644543 /nfs/dbraw/zinc/64/45/43/1293644543.db2.gz LHBXOPNZFAINDK-KBPBESRZSA-N 1 0 328.403 3.271 20 10 EGCDRO CCCN(CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccccc1O ZINC000130725462 1293667176 /nfs/dbraw/zinc/66/71/76/1293667176.db2.gz LGZNHLWSAZMUPA-UHFFFAOYSA-N 1 0 340.423 3.446 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C(C)C)N3CCCC3)CC2)cc1 ZINC000132992263 1293734187 /nfs/dbraw/zinc/73/41/87/1293734187.db2.gz WQWOFSWJIMIAQB-NRFANRHFSA-N 1 0 345.531 3.374 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000135933117 1293805248 /nfs/dbraw/zinc/80/52/48/1293805248.db2.gz IMFYDAAYQLXINZ-UHFFFAOYSA-N 1 0 338.499 3.246 20 10 EGCDRO CCCNC(=O)C1([NH2+]Cc2cc(OCC)ccc2O)CCCCC1 ZINC000154539550 1294059696 /nfs/dbraw/zinc/05/96/96/1294059696.db2.gz JWQQXMKWPUQJND-UHFFFAOYSA-N 1 0 334.460 3.110 20 10 EGCDRO OCC[N@H+](Cc1cc(Br)ccc1O)C1CCCCC1 ZINC000155129166 1294085523 /nfs/dbraw/zinc/08/55/23/1294085523.db2.gz MGUQHRGJORWBBE-UHFFFAOYSA-N 1 0 328.250 3.282 20 10 EGCDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000156738909 1294157380 /nfs/dbraw/zinc/15/73/80/1294157380.db2.gz RHTSAWQKKPJMOU-IAGOWNOFSA-N 1 0 349.494 3.187 20 10 EGCDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161210415 1294286381 /nfs/dbraw/zinc/28/63/81/1294286381.db2.gz ILYSGYPIDKKIRF-FUHWJXTLSA-N 1 0 349.494 3.187 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1C ZINC000179051823 1294771181 /nfs/dbraw/zinc/77/11/81/1294771181.db2.gz DNJRHUNJPLUFGZ-GOSISDBHSA-N 1 0 338.451 3.147 20 10 EGCDRO COc1cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c(O)cc1C ZINC000179439802 1294795189 /nfs/dbraw/zinc/79/51/89/1294795189.db2.gz FEOYPWYGCILGKD-UHFFFAOYSA-N 1 0 340.423 3.226 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)cc1 ZINC000181407920 1294965698 /nfs/dbraw/zinc/96/56/98/1294965698.db2.gz PLSITYIUDSCUMY-QGZVFWFLSA-N 1 0 339.483 3.152 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000182699522 1295069639 /nfs/dbraw/zinc/06/96/39/1295069639.db2.gz WTGWIJIYIUENNB-HUUCEWRRSA-N 1 0 349.475 3.026 20 10 EGCDRO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182888872 1295082710 /nfs/dbraw/zinc/08/27/10/1295082710.db2.gz VLDOSIAPEUKYCC-CVEARBPZSA-N 1 0 345.487 3.187 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000184811092 1295219553 /nfs/dbraw/zinc/21/95/53/1295219553.db2.gz UHTHQCDRJHDLCH-FQEVSTJZSA-N 1 0 325.408 3.341 20 10 EGCDRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000186114660 1295306074 /nfs/dbraw/zinc/30/60/74/1295306074.db2.gz CGKVRVUEKOBNIW-GFCCVEGCSA-N 1 0 335.375 3.278 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCSCC1 ZINC000187027887 1295361990 /nfs/dbraw/zinc/36/19/90/1295361990.db2.gz CIVQDFKIRNXDML-AWEZNQCLSA-N 1 0 338.492 3.284 20 10 EGCDRO COc1ccc(CC(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000189452199 1295523185 /nfs/dbraw/zinc/52/31/85/1295523185.db2.gz URVHURLJABMYEO-UHFFFAOYSA-N 1 0 329.396 3.240 20 10 EGCDRO Cc1cc(C(=O)NC2(C)CC[NH2+]CC2)c(C)n1-c1ccc(F)cc1 ZINC000193369198 1295858313 /nfs/dbraw/zinc/85/83/13/1295858313.db2.gz APYQTDLXQSKATA-UHFFFAOYSA-N 1 0 329.419 3.105 20 10 EGCDRO COCCO[C@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000193418277 1295864983 /nfs/dbraw/zinc/86/49/83/1295864983.db2.gz NUQNQCLKTIOVKU-KRWDZBQOSA-N 1 0 345.439 3.181 20 10 EGCDRO CCO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000194463610 1295980050 /nfs/dbraw/zinc/98/00/50/1295980050.db2.gz ZTVAQBRLSBCFPT-NRFANRHFSA-N 1 0 340.467 3.391 20 10 EGCDRO CCCN(Cc1ccc(-n2cncn2)c(C)c1)c1ccc(C[NH3+])cc1 ZINC000194980625 1296025665 /nfs/dbraw/zinc/02/56/65/1296025665.db2.gz VORBJGONXAOEDJ-UHFFFAOYSA-N 1 0 335.455 3.451 20 10 EGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000195198813 1296046114 /nfs/dbraw/zinc/04/61/14/1296046114.db2.gz YNGMNILVJNEPEH-HXUWFJFHSA-N 1 0 332.488 3.304 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870857800 1296116967 /nfs/dbraw/zinc/11/69/67/1296116967.db2.gz ZNVBLYMTVFCICX-HDICACEKSA-N 1 0 329.488 3.153 20 10 EGCDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000237129125 1296221494 /nfs/dbraw/zinc/22/14/94/1296221494.db2.gz HXYLNECONQKAFI-SFHVURJKSA-N 1 0 325.456 3.227 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)c1cc(Br)ccc1O ZINC000248578413 1296420518 /nfs/dbraw/zinc/42/05/18/1296420518.db2.gz UUQRWGLBKSCBHL-LQJRIPTKSA-N 1 0 348.306 3.308 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000262829061 1296650269 /nfs/dbraw/zinc/65/02/69/1296650269.db2.gz HQPGLBDBFCNYNY-WMLDXEAASA-N 1 0 325.456 3.273 20 10 EGCDRO C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000872111082 1296737478 /nfs/dbraw/zinc/73/74/78/1296737478.db2.gz YSCFVJLSPCOQBD-LBPRGKRZSA-N 1 0 326.366 3.319 20 10 EGCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000303116548 1296819288 /nfs/dbraw/zinc/81/92/88/1296819288.db2.gz UMOXEUCFYXHPLH-HXUWFJFHSA-N 1 0 344.430 3.080 20 10 EGCDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000310509855 1297095231 /nfs/dbraw/zinc/09/52/31/1297095231.db2.gz UJIUDEJXXNBLGH-AWEZNQCLSA-N 1 0 332.444 3.417 20 10 EGCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cccs3)CC2)cc1 ZINC000324636826 1297212268 /nfs/dbraw/zinc/21/22/68/1297212268.db2.gz VZDAEGQNKDLXDT-INIZCTEOSA-N 1 0 345.512 3.230 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000324913242 1297217218 /nfs/dbraw/zinc/21/72/18/1297217218.db2.gz XUGBLGMKBLRTKX-GOSISDBHSA-N 1 0 326.444 3.473 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000325070713 1297219062 /nfs/dbraw/zinc/21/90/62/1297219062.db2.gz XEUCUBKCAFDFBQ-XJKSGUPXSA-N 1 0 328.456 3.240 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000326214268 1297235278 /nfs/dbraw/zinc/23/52/78/1297235278.db2.gz FQBJLZZQRAFJNT-IBGZPJMESA-N 1 0 325.456 3.110 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(=O)OC)n2C)cc1F ZINC000873047883 1297244673 /nfs/dbraw/zinc/24/46/73/1297244673.db2.gz HLHMHXTXBGSAAH-UHFFFAOYSA-N 1 0 347.434 3.087 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccncc2)cc1Cn1cccn1 ZINC000873069518 1297258641 /nfs/dbraw/zinc/25/86/41/1297258641.db2.gz HYNYGKVYYPQSGT-MRXNPFEDSA-N 1 0 336.439 3.228 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1Cn1cccn1 ZINC000873131105 1297287484 /nfs/dbraw/zinc/28/74/84/1297287484.db2.gz LWRXCRJCWHUXOS-MRXNPFEDSA-N 1 0 335.398 3.465 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000385490027 1297583271 /nfs/dbraw/zinc/58/32/71/1297583271.db2.gz HXXHZUKXRHNJMZ-PKOBYXMFSA-N 1 0 340.467 3.252 20 10 EGCDRO C[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(N(C)C)cc1 ZINC000385445531 1297583704 /nfs/dbraw/zinc/58/37/04/1297583704.db2.gz DSTSTCNISNVXHI-VIBAHUMZSA-N 1 0 345.487 3.269 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000393828091 1297671526 /nfs/dbraw/zinc/67/15/26/1297671526.db2.gz IQKZQINADRHXIM-GJZGRUSLSA-N 1 0 332.444 3.272 20 10 EGCDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874191945 1297815566 /nfs/dbraw/zinc/81/55/66/1297815566.db2.gz BYFIWLYUYBNHGY-UHFFFAOYSA-N 1 0 345.447 3.041 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1COc2ccccc2C1 ZINC000706847048 1298222176 /nfs/dbraw/zinc/22/21/76/1298222176.db2.gz VAVKGSCWZFOWSI-GFCCVEGCSA-N 1 0 334.213 3.248 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000713535146 1298270777 /nfs/dbraw/zinc/27/07/77/1298270777.db2.gz XEMOLFQOGMMYBQ-VCTAVGKDSA-N 1 0 338.245 3.202 20 10 EGCDRO C[NH+](C)C1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000715575092 1298281834 /nfs/dbraw/zinc/28/18/34/1298281834.db2.gz WPUUFUCRRWVHBY-UHFFFAOYSA-N 1 0 327.266 3.117 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]CCN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000725841406 1298372763 /nfs/dbraw/zinc/37/27/63/1298372763.db2.gz FSQVONAVSADXKU-UHFFFAOYSA-N 1 0 348.531 3.409 20 10 EGCDRO CC[N@H+](CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C(C)C ZINC000745796709 1298480994 /nfs/dbraw/zinc/48/09/94/1298480994.db2.gz UDFUESANYROOMN-UHFFFAOYSA-N 1 0 348.535 3.403 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000876649401 1298896123 /nfs/dbraw/zinc/89/61/23/1298896123.db2.gz VBIIZUFWDLJQCR-UHFFFAOYSA-N 1 0 330.472 3.362 20 10 EGCDRO CCN(C[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1)CC(F)(F)F 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345.874 3.028 20 10 EGCDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877141739 1299178830 /nfs/dbraw/zinc/17/88/30/1299178830.db2.gz KJNROGCAISQGDO-GHTZIAJQSA-N 1 0 346.515 3.331 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCc4cc(F)ccc4C3)cc2)CC1 ZINC000877170180 1299191924 /nfs/dbraw/zinc/19/19/24/1299191924.db2.gz KTWDBXLNBQYJMK-UHFFFAOYSA-N 1 0 340.442 3.345 20 10 EGCDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877523619 1299366436 /nfs/dbraw/zinc/36/64/36/1299366436.db2.gz LLNBVEJTOHOJHW-UHFFFAOYSA-N 1 0 343.471 3.277 20 10 EGCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000877540444 1299382341 /nfs/dbraw/zinc/38/23/41/1299382341.db2.gz ZGTBGRKPCGJAIO-LJQANCHMSA-N 1 0 346.515 3.427 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3C[C@H](C4CC4)[C@H]3C3CC3)cc2)CC1 ZINC000877568815 1299404798 /nfs/dbraw/zinc/40/47/98/1299404798.db2.gz WOBMFPZRYDCDAM-NHCUHLMSSA-N 1 0 326.484 3.268 20 10 EGCDRO CC[C@H]1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](CC)O1 ZINC000877594096 1299418956 /nfs/dbraw/zinc/41/89/56/1299418956.db2.gz BJKIJDJWCPHQLX-PMACEKPBSA-N 1 0 332.488 3.037 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(C)cccc3O)C2)cc1 ZINC000877597872 1299423162 /nfs/dbraw/zinc/42/31/62/1299423162.db2.gz BJKAPUZAYUNHHX-INIZCTEOSA-N 1 0 326.440 3.325 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(C)cc3O)C2)cc1 ZINC000877598731 1299424244 /nfs/dbraw/zinc/42/42/44/1299424244.db2.gz SAIHMTGTAGSTRH-INIZCTEOSA-N 1 0 326.440 3.325 20 10 EGCDRO COCC[N@H+](CCc1ccccc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000750818955 1299458435 /nfs/dbraw/zinc/45/84/35/1299458435.db2.gz HTUDLBPAHNYZJD-UHFFFAOYSA-N 1 0 345.414 3.425 20 10 EGCDRO Oc1c(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)ccc2ccccc12 ZINC000877675565 1299471578 /nfs/dbraw/zinc/47/15/78/1299471578.db2.gz QWZYMIAZLDIAMO-AWEZNQCLSA-N 1 0 336.317 3.030 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000877694003 1299486520 /nfs/dbraw/zinc/48/65/20/1299486520.db2.gz WTEAWWVLKMOLBV-PELKAZGASA-N 1 0 344.299 3.173 20 10 EGCDRO CC(C)(C)c1cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000877764878 1299543340 /nfs/dbraw/zinc/54/33/40/1299543340.db2.gz QZDZWYVSTLEGSI-IYBDPMFKSA-N 1 0 349.515 3.020 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](c4nccn4C)C3)c2c1 ZINC000755787410 1300397008 /nfs/dbraw/zinc/39/70/08/1300397008.db2.gz DFNZGFRNVPPMIL-OAHLLOKOSA-N 1 0 337.423 3.277 20 10 EGCDRO CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000756355712 1300474180 /nfs/dbraw/zinc/47/41/80/1300474180.db2.gz RISJMVIKXSZOCO-APWZRJJASA-N 1 0 346.515 3.278 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2nncn2-c2ccccc2)c2c1c(F)ccc2O ZINC000756400699 1300484128 /nfs/dbraw/zinc/48/41/28/1300484128.db2.gz DMCXATQOSKZCJW-SWLSCSKDSA-N 1 0 338.386 3.450 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000756454229 1300494800 /nfs/dbraw/zinc/49/48/00/1300494800.db2.gz KNZQPKBBFXQSQG-XHDPSFHLSA-N 1 0 346.377 3.238 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(Br)cc1O ZINC000756544675 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C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766479961 1302460297 /nfs/dbraw/zinc/46/02/97/1302460297.db2.gz QEQYOTHARDFZNK-ICXUMSERSA-N 1 0 336.451 3.007 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c1O ZINC000768169211 1302843168 /nfs/dbraw/zinc/84/31/68/1302843168.db2.gz SSKCJHJDEXLTKN-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO CCOc1cccc(CN(C)CC(=O)N(C)C2CCCCC2)c1O ZINC000768304029 1302876247 /nfs/dbraw/zinc/87/62/47/1302876247.db2.gz YHHINYVSCQAYAH-UHFFFAOYSA-N 1 0 334.460 3.014 20 10 EGCDRO COc1ccc(OC2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000768368009 1302889006 /nfs/dbraw/zinc/88/90/06/1302889006.db2.gz VMWPPVTXZTVZMA-UHFFFAOYSA-N 1 0 343.423 3.453 20 10 EGCDRO CCCC(=O)NC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768439456 1302900456 /nfs/dbraw/zinc/90/04/56/1302900456.db2.gz MBWQDVOXQCUWHK-UHFFFAOYSA-N 1 0 330.472 3.152 20 10 EGCDRO Oc1cc2c(cc1C[N@H+]1CC=C(c3ccc(F)cc3)CC1)[C@@H](O)CO2 ZINC000768441936 1302904106 /nfs/dbraw/zinc/90/41/06/1302904106.db2.gz MGVACWYDEKOVAN-IBGZPJMESA-N 1 0 341.382 3.246 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(CC(F)(F)F)CC1)CCCC2 ZINC000768445173 1302906704 /nfs/dbraw/zinc/90/67/04/1302906704.db2.gz FYHVICRDLBODKG-UHFFFAOYSA-N 1 0 342.405 3.341 20 10 EGCDRO C[N@H+](Cc1cc2ccccc2o1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465738 1302912832 /nfs/dbraw/zinc/91/28/32/1302912832.db2.gz JRWZENFVDZOYDT-QGZVFWFLSA-N 1 0 325.364 3.196 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC000768531614 1302927494 /nfs/dbraw/zinc/92/74/94/1302927494.db2.gz GRYRJDXTQDMACX-MRXNPFEDSA-N 1 0 347.377 3.316 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc3c(c2)nnn3C)C2CC2)cc1 ZINC000768535152 1302927679 /nfs/dbraw/zinc/92/76/79/1302927679.db2.gz OVKUKRYWYXBNQX-UHFFFAOYSA-N 1 0 335.455 3.199 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc3c(c2)nnn3C)cc1 ZINC000768538168 1302928376 /nfs/dbraw/zinc/92/83/76/1302928376.db2.gz SRUOKBPGBMSHTD-UHFFFAOYSA-N 1 0 337.471 3.447 20 10 EGCDRO CCOc1ccc(C[N@H+](C)CCOc2ccccc2OC)c(O)c1 ZINC000768822977 1302987488 /nfs/dbraw/zinc/98/74/88/1302987488.db2.gz LCMWCTGDHDIRCH-UHFFFAOYSA-N 1 0 331.412 3.310 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)cc1C ZINC000768885777 1303006070 /nfs/dbraw/zinc/00/60/70/1303006070.db2.gz KLEPWONXQFYEKU-UHFFFAOYSA-N 1 0 333.501 3.008 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769008414 1303030992 /nfs/dbraw/zinc/03/09/92/1303030992.db2.gz XTLUQKXZVKYLHZ-DOTOQJQBSA-N 1 0 349.494 3.409 20 10 EGCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769302064 1303088134 /nfs/dbraw/zinc/08/81/34/1303088134.db2.gz MFQCCLLGHLWXGY-QGZVFWFLSA-N 1 0 346.475 3.111 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000769419908 1303109428 /nfs/dbraw/zinc/10/94/28/1303109428.db2.gz VZFAIGHHLQDGQQ-LJQANCHMSA-N 1 0 344.499 3.495 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)cc1F ZINC000769426132 1303111207 /nfs/dbraw/zinc/11/12/07/1303111207.db2.gz CFXVPVLLYNLYCN-INIZCTEOSA-N 1 0 348.462 3.447 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)c1O ZINC000769465374 1303118404 /nfs/dbraw/zinc/11/84/04/1303118404.db2.gz GVTWKAIXXUQWIL-DLBZAZTESA-N 1 0 340.467 3.496 20 10 EGCDRO CCOc1ccc(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c(O)c1 ZINC000769495284 1303127232 /nfs/dbraw/zinc/12/72/32/1303127232.db2.gz DNZUPAZVPGJDME-IRXDYDNUSA-N 1 0 334.460 3.012 20 10 EGCDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000769877444 1303186589 /nfs/dbraw/zinc/18/65/89/1303186589.db2.gz WSVWODZARXVQEH-CQSZACIVSA-N 1 0 329.444 3.233 20 10 EGCDRO CC(C)C(C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C(C)C ZINC000886324717 1303434423 /nfs/dbraw/zinc/43/44/23/1303434423.db2.gz DOOOWDYFMRRJHQ-UHFFFAOYSA-N 1 0 345.531 3.406 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)CC1 ZINC000886747166 1303583282 /nfs/dbraw/zinc/58/32/82/1303583282.db2.gz MTQAGSOMXAVEFZ-OAQYLSRUSA-N 1 0 349.478 3.165 20 10 EGCDRO CCn1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)cn1 ZINC000772998269 1303603977 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COc1cccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c1O ZINC000775318056 1303938056 /nfs/dbraw/zinc/93/80/56/1303938056.db2.gz DSGPMGUPZSENJF-UHFFFAOYSA-N 1 0 331.803 3.231 20 10 EGCDRO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(N(C)C)cc1 ZINC000775402254 1303957598 /nfs/dbraw/zinc/95/75/98/1303957598.db2.gz CACJPVSVIIMIPU-HNNXBMFYSA-N 1 0 325.456 3.305 20 10 EGCDRO CC[C@@H]([NH2+]CCN1CCOCC1(C)C)c1cc(Cl)ccc1O ZINC000775498023 1303974329 /nfs/dbraw/zinc/97/43/29/1303974329.db2.gz FWLVLDXOAIYYQF-OAHLLOKOSA-N 1 0 326.868 3.197 20 10 EGCDRO Cc1cc(Br)cc(CN2CC[NH+](C3CCC3)CC2)c1O ZINC000775702516 1304017865 /nfs/dbraw/zinc/01/78/65/1304017865.db2.gz XYROCLQVWMUENA-UHFFFAOYSA-N 1 0 339.277 3.133 20 10 EGCDRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834007 1304046474 /nfs/dbraw/zinc/04/64/74/1304046474.db2.gz ODHLAGROUNTXGP-HNNXBMFYSA-N 1 0 341.455 3.441 20 10 EGCDRO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000775835450 1304047490 /nfs/dbraw/zinc/04/74/90/1304047490.db2.gz YZIUXVXGMFIKKM-LBPRGKRZSA-N 1 0 346.500 3.369 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775835600 1304047744 /nfs/dbraw/zinc/04/77/44/1304047744.db2.gz VJCSBQOXBADQAQ-UGSOOPFHSA-N 1 0 329.400 3.045 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]C[C@H]3CCCOC3)C2)cc1 ZINC000776223225 1304117032 /nfs/dbraw/zinc/11/70/32/1304117032.db2.gz RLRVVQLIYMRHCU-CABCVRRESA-N 1 0 340.414 3.273 20 10 EGCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000776806663 1304201852 /nfs/dbraw/zinc/20/18/52/1304201852.db2.gz FLVMJJUTXIIMOC-CHWSQXEVSA-N 1 0 340.851 3.392 20 10 EGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000776809240 1304203342 /nfs/dbraw/zinc/20/33/42/1304203342.db2.gz QKZXELHDAPYKEK-JKSUJKDBSA-N 1 0 334.460 3.356 20 10 EGCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000776866382 1304213707 /nfs/dbraw/zinc/21/37/07/1304213707.db2.gz GBOLEYKQKJCUPN-GDIGMMSISA-N 1 0 345.439 3.017 20 10 EGCDRO CC1CCC([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000777453897 1304299738 /nfs/dbraw/zinc/29/97/38/1304299738.db2.gz REZOWTVPSUFXGN-IIIMJFFVSA-N 1 0 329.488 3.057 20 10 EGCDRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(F)ccc1O ZINC000778996992 1304516114 /nfs/dbraw/zinc/51/61/14/1304516114.db2.gz YMJHKQAOVXHMCF-UHFFFAOYSA-N 1 0 328.387 3.056 20 10 EGCDRO O=C(CC1CC[NH+](Cc2cc(F)ccc2O)CC1)NC1CCCC1 ZINC000778999475 1304516476 /nfs/dbraw/zinc/51/64/76/1304516476.db2.gz NBAVCTKBKQGTTC-UHFFFAOYSA-N 1 0 334.435 3.192 20 10 EGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000779605754 1304586725 /nfs/dbraw/zinc/58/67/25/1304586725.db2.gz YKPKZRBZPPLMNZ-HNNXBMFYSA-N 1 0 336.451 3.303 20 10 EGCDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000780593553 1304713800 /nfs/dbraw/zinc/71/38/00/1304713800.db2.gz HHNZLFIDBSKCCT-PZJWPPBQSA-N 1 0 346.515 3.333 20 10 EGCDRO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]2CCCC[C@@H]12 ZINC000782502914 1304982890 /nfs/dbraw/zinc/98/28/90/1304982890.db2.gz IHWUKBUTGLAOHP-UXPWSPDFSA-N 1 0 343.515 3.222 20 10 EGCDRO C[NH+](C)CCc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000782545607 1304987958 /nfs/dbraw/zinc/98/79/58/1304987958.db2.gz QNXFKAFVHVOVSN-UHFFFAOYSA-N 1 0 339.483 3.239 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC23CCCC3)[NH+](C)C)cc1 ZINC000891252659 1305000239 /nfs/dbraw/zinc/00/02/39/1305000239.db2.gz LWNGBFWGZCFWSE-ZWKOTPCHSA-N 1 0 329.488 3.052 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Br)ccc1O ZINC000783647386 1305122014 /nfs/dbraw/zinc/12/20/14/1305122014.db2.gz KSLZJPWKFTVIRF-FZMZJTMJSA-N 1 0 339.277 3.290 20 10 EGCDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892094314 1305248502 /nfs/dbraw/zinc/24/85/02/1305248502.db2.gz ANTSFRLLVDJJED-AWEZNQCLSA-N 1 0 343.423 3.408 20 10 EGCDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCCN1C1CCCCC1 ZINC000785549517 1305375576 /nfs/dbraw/zinc/37/55/76/1305375576.db2.gz VJNJUIXWUSMMHH-GOSISDBHSA-N 1 0 328.456 3.035 20 10 EGCDRO COc1ccc(C)cc1CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892462465 1305387813 /nfs/dbraw/zinc/38/78/13/1305387813.db2.gz PIOUBVAWWVBPLD-UHFFFAOYSA-N 1 0 331.412 3.059 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3cc(Cl)ccc3O)n2)c1 ZINC000785595646 1305388394 /nfs/dbraw/zinc/38/83/94/1305388394.db2.gz LXCDGVQUPNWQEZ-NSHDSACASA-N 1 0 343.818 3.385 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000785833787 1305448923 /nfs/dbraw/zinc/44/89/23/1305448923.db2.gz ILJVBUIXVMBMFA-KRWDZBQOSA-N 1 0 329.419 3.330 20 10 EGCDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892606692 1305466762 /nfs/dbraw/zinc/46/67/62/1305466762.db2.gz LANWVCQVRIKFPO-LLVKDONJSA-N 1 0 335.375 3.408 20 10 EGCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000892612705 1305470741 /nfs/dbraw/zinc/47/07/41/1305470741.db2.gz MFYZOJVOINJROG-UHFFFAOYSA-N 1 0 331.485 3.388 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c(O)c1OC ZINC000892923236 1305611179 /nfs/dbraw/zinc/61/11/79/1305611179.db2.gz VRBYAEPNUYEEGH-ZDUSSCGKSA-N 1 0 331.412 3.226 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)c(O)c1OC ZINC000892948815 1305622112 /nfs/dbraw/zinc/62/21/12/1305622112.db2.gz BMHSJWJXEJWXFL-CQSZACIVSA-N 1 0 345.395 3.031 20 10 EGCDRO C[N@H+](Cc1scnc1C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000787068835 1305685420 /nfs/dbraw/zinc/68/54/20/1305685420.db2.gz SVJQXJUANHNJBC-UHFFFAOYSA-N 1 0 343.496 3.489 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)Oc2ccc(F)cc2)c(O)c1OC ZINC000893087333 1305698980 /nfs/dbraw/zinc/69/89/80/1305698980.db2.gz BQNLAMGHTJFOTO-LBPRGKRZSA-N 1 0 335.375 3.106 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c(O)c1OC ZINC000893112523 1305714296 /nfs/dbraw/zinc/71/42/96/1305714296.db2.gz FJCAQCNBYNUOME-OAHLLOKOSA-N 1 0 335.444 3.381 20 10 EGCDRO CCOC(=O)[C@](C)(C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000787436443 1305744931 /nfs/dbraw/zinc/74/49/31/1305744931.db2.gz BKHYUXUIPXRJBN-OAQYLSRUSA-N 1 0 339.435 3.232 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCOC(F)(F)F)ccc1N1CCCCC1 ZINC000788970908 1306054392 /nfs/dbraw/zinc/05/43/92/1306054392.db2.gz XOTLBPHPXQFRMF-UHFFFAOYSA-N 1 0 347.337 3.211 20 10 EGCDRO CC1(C)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000789763634 1306212640 /nfs/dbraw/zinc/21/26/40/1306212640.db2.gz NMEYLSWXBKNXRB-UHFFFAOYSA-N 1 0 338.492 3.380 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2Cn2cccn2)c1O ZINC000894160007 1306252586 /nfs/dbraw/zinc/25/25/86/1306252586.db2.gz JNTIJECZGNIHJB-UHFFFAOYSA-N 1 0 337.423 3.244 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000894256724 1306303992 /nfs/dbraw/zinc/30/39/92/1306303992.db2.gz VGVQFLSADVWVPD-LLVKDONJSA-N 1 0 327.384 3.142 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCSC2)ccc1N1CCCCC1 ZINC000790485072 1306335844 /nfs/dbraw/zinc/33/58/44/1306335844.db2.gz IMFBWAKYDHDDNN-OAHLLOKOSA-N 1 0 335.473 3.428 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000790544677 1306348954 /nfs/dbraw/zinc/34/89/54/1306348954.db2.gz YGVPUCWZZXKGGL-SFHVURJKSA-N 1 0 346.519 3.014 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000790995958 1308907049 /nfs/dbraw/zinc/90/70/49/1308907049.db2.gz SWBKBDOKDKNELF-FQEVSTJZSA-N 1 0 344.499 3.495 20 10 EGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)CCO2 ZINC000894474652 1308910375 /nfs/dbraw/zinc/91/03/75/1308910375.db2.gz WLUOSGBSTCCGRB-INIZCTEOSA-N 1 0 329.396 3.331 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CSc3ccccc32)c(O)c1OC ZINC000894659130 1309007967 /nfs/dbraw/zinc/00/79/67/1309007967.db2.gz OKWPXPVMSXHBSO-ZDUSSCGKSA-N 1 0 331.437 3.389 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c(O)c(C(C)(C)C)c1 ZINC000895012676 1309158851 /nfs/dbraw/zinc/15/88/51/1309158851.db2.gz ULMYDSZFHCJQPR-CYBMUJFWSA-N 1 0 344.459 3.114 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H](C2CC2)N(C)C)c(C(F)(F)F)c1 ZINC000792919888 1309259438 /nfs/dbraw/zinc/25/94/38/1309259438.db2.gz NFIZQZUHJCGAJN-MRXNPFEDSA-N 1 0 329.410 3.201 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(Br)cn2)c1 ZINC000793332297 1309349354 /nfs/dbraw/zinc/34/93/54/1309349354.db2.gz HCEMQYJJCHYHGX-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C2CC2)cn1 ZINC000895674083 1309459682 /nfs/dbraw/zinc/45/96/82/1309459682.db2.gz LVOLKMZSHAHMTA-KRWDZBQOSA-N 1 0 344.411 3.054 20 10 EGCDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000794140282 1309471619 /nfs/dbraw/zinc/47/16/19/1309471619.db2.gz LXCRNXHGGQPPHA-QGZVFWFLSA-N 1 0 326.444 3.358 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794666013 1309566955 /nfs/dbraw/zinc/56/69/55/1309566955.db2.gz MIGREUKPHJINHY-FOIQADDNSA-N 1 0 333.472 3.378 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)Cn1cccn1 ZINC000794688574 1309575890 /nfs/dbraw/zinc/57/58/90/1309575890.db2.gz PWYJAYACSLEOBW-CYBMUJFWSA-N 1 0 340.393 3.394 20 10 EGCDRO COc1ccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c(O)c1OC ZINC000896019841 1309655339 /nfs/dbraw/zinc/65/53/39/1309655339.db2.gz ONCPYMAIGKVWNI-GOSISDBHSA-N 1 0 331.412 3.011 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(Nc3ccccn3)CC2)c1O ZINC000896191512 1309737623 /nfs/dbraw/zinc/73/76/23/1309737623.db2.gz ASJVFJNUCLMJTN-UHFFFAOYSA-N 1 0 327.428 3.181 20 10 EGCDRO c1cn(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000796254685 1309945338 /nfs/dbraw/zinc/94/53/38/1309945338.db2.gz CLLWAISYXKUHSO-UHFFFAOYSA-N 1 0 332.451 3.236 20 10 EGCDRO Fc1cc(C[NH2+][C@@H]2CCCc3cccnc32)ccc1N1CCOCC1 ZINC000798926853 1310459235 /nfs/dbraw/zinc/45/92/35/1310459235.db2.gz NBLXNHXEXMGXCD-GOSISDBHSA-N 1 0 341.430 3.225 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1F ZINC000799343941 1310530510 /nfs/dbraw/zinc/53/05/10/1310530510.db2.gz QNIVOLSOQQUAGJ-HXUWFJFHSA-N 1 0 328.431 3.205 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]CCN1CCC3(CCCCC3)CC1)OCO2 ZINC000799346049 1310532606 /nfs/dbraw/zinc/53/26/06/1310532606.db2.gz UYKTZBJDYMWRJH-UHFFFAOYSA-N 1 0 346.471 3.257 20 10 EGCDRO CCOc1ccccc1CN1CC[N@H+](Cc2ccccc2O)[C@@H](C)C1 ZINC000799737745 1310609625 /nfs/dbraw/zinc/60/96/25/1310609625.db2.gz KSYIWGYYEYGAKC-KRWDZBQOSA-N 1 0 340.467 3.497 20 10 EGCDRO Cc1cc(Cl)nc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000800284519 1310721091 /nfs/dbraw/zinc/72/10/91/1310721091.db2.gz IPPQARZKNITABA-UHFFFAOYSA-N 1 0 331.847 3.170 20 10 EGCDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000824596057 1320268368 /nfs/dbraw/zinc/26/83/68/1320268368.db2.gz FRYKARYCFSXPCH-QMTHXVAHSA-N 1 0 346.265 3.314 20 10 EGCDRO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824592022 1320268716 /nfs/dbraw/zinc/26/87/16/1320268716.db2.gz CGOYAHVWNGKWSX-UHFFFAOYSA-N 1 0 325.206 3.392 20 10 EGCDRO COCC(COC)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824926731 1320297159 /nfs/dbraw/zinc/29/71/59/1320297159.db2.gz QWAAVQZOCQRJRN-UHFFFAOYSA-N 1 0 334.485 3.136 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1Cl ZINC000825097127 1320308970 /nfs/dbraw/zinc/30/89/70/1320308970.db2.gz PIPBZYRHGQFSRB-UHFFFAOYSA-N 1 0 348.830 3.341 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](c3cccs3)C1)OCO2 ZINC000825084748 1320309108 /nfs/dbraw/zinc/30/91/08/1320309108.db2.gz HMUQEPAXIPUFFA-MLGOLLRUSA-N 1 0 333.409 3.192 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1OC ZINC000824893336 1320294350 /nfs/dbraw/zinc/29/43/50/1320294350.db2.gz QBXGKXUJJSZJCW-CVEARBPZSA-N 1 0 347.455 3.191 20 10 EGCDRO CN(C)c1ccc(CNc2ccc(OCC[NH+](C)C)c(F)c2)cc1 ZINC000839188413 1320889397 /nfs/dbraw/zinc/88/93/97/1320889397.db2.gz IBTVIWMDDCXQTG-UHFFFAOYSA-N 1 0 331.435 3.444 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)c2ccccc2)c1 ZINC000839540183 1320935159 /nfs/dbraw/zinc/93/51/59/1320935159.db2.gz SKGRGBIRJZDQEE-KGLIPLIRSA-N 1 0 328.412 3.103 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000839562707 1320938902 /nfs/dbraw/zinc/93/89/02/1320938902.db2.gz BDLATBXVPXJUDJ-OAHLLOKOSA-N 1 0 343.446 3.201 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C2)cc1C ZINC001019042713 1317019147 /nfs/dbraw/zinc/01/91/47/1317019147.db2.gz QYHQEQHJOSBGMD-RDJZCZTQSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC3(C)C)C2)cc1C ZINC001019267032 1317136125 /nfs/dbraw/zinc/13/61/25/1317136125.db2.gz XZJMMXNDWNNYTB-IRXDYDNUSA-N 1 0 330.472 3.130 20 10 EGCDRO OCC[C@@H]([NH2+]Cc1c(O)cccc1Br)c1cccs1 ZINC000858142813 1328694315 /nfs/dbraw/zinc/69/43/15/1328694315.db2.gz NKINYXDCPQIAPG-GFCCVEGCSA-N 1 0 342.258 3.430 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccc(F)cc1 ZINC000858138715 1328693031 /nfs/dbraw/zinc/69/30/31/1328693031.db2.gz IYZREXDNNRJIRA-BBATYDOGSA-N 1 0 338.373 3.382 20 10 EGCDRO CNc1ccc(C)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000902079142 1317517845 /nfs/dbraw/zinc/51/78/45/1317517845.db2.gz SIXJEBMJBZHKDD-UHFFFAOYSA-N 1 0 343.446 3.302 20 10 EGCDRO COCC1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858177333 1328704675 /nfs/dbraw/zinc/70/46/75/1328704675.db2.gz AZOCFBAGADUZNK-UHFFFAOYSA-N 1 0 328.250 3.450 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCSC2)c1O ZINC000808429950 1317676745 /nfs/dbraw/zinc/67/67/45/1317676745.db2.gz KOACHNLSJYKAFH-SNVBAGLBSA-N 1 0 346.290 3.396 20 10 EGCDRO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448294 1317701706 /nfs/dbraw/zinc/70/17/06/1317701706.db2.gz MWUQPDCLOXXIED-ACJLOTCBSA-N 1 0 330.476 3.311 20 10 EGCDRO Cc1ccncc1[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449438 1317701928 /nfs/dbraw/zinc/70/19/28/1317701928.db2.gz YSSKXVQTFXLCJG-OXQOHEQNSA-N 1 0 326.488 3.410 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2nnc3ccccn32)c1O ZINC000808672044 1317712392 /nfs/dbraw/zinc/71/23/92/1317712392.db2.gz BAFMOFYFJNUXHQ-GFCCVEGCSA-N 1 0 330.819 3.290 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)c1O ZINC000808675160 1317713977 /nfs/dbraw/zinc/71/39/77/1317713977.db2.gz YBSFBZVTAGHLAA-ZFWWWQNUSA-N 1 0 335.831 3.445 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H](O)c3ccccc3)CC2)cc1 ZINC000808719082 1317721912 /nfs/dbraw/zinc/72/19/12/1317721912.db2.gz CQUUMCHDRQARHS-IERDGZPVSA-N 1 0 340.467 3.376 20 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COC[C@]1(C[NH2+]Cc2cc(C)c(C)cc2O)OCCc2ccccc21 ZINC000810158389 1317965976 /nfs/dbraw/zinc/96/59/76/1317965976.db2.gz MGYIKZDEOKVROA-NRFANRHFSA-N 1 0 341.451 3.213 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1[C@H]1CCCO1 ZINC000811510811 1318189106 /nfs/dbraw/zinc/18/91/06/1318189106.db2.gz PNAXQZMNJVGHOW-MOPGFXCFSA-N 1 0 348.462 3.052 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1C ZINC000812782692 1318453310 /nfs/dbraw/zinc/45/33/10/1318453310.db2.gz DMTPCBMHWKLAQS-OAHLLOKOSA-N 1 0 328.387 3.038 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c(O)c1 ZINC000813886190 1318652214 /nfs/dbraw/zinc/65/22/14/1318652214.db2.gz XUIURFQWRCUUAG-HNNXBMFYSA-N 1 0 326.444 3.250 20 10 EGCDRO CCOC1(C)CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000814170475 1318687480 /nfs/dbraw/zinc/68/74/80/1318687480.db2.gz WVZNWCPPSRFZQW-UHFFFAOYSA-N 1 0 336.451 3.053 20 10 EGCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000814179141 1318691995 /nfs/dbraw/zinc/69/19/95/1318691995.db2.gz IJXBJYZVXOQDAF-GOSISDBHSA-N 1 0 343.446 3.447 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@H]4C[C@H]43)C2)cc1C ZINC001022323266 1318890724 /nfs/dbraw/zinc/89/07/24/1318890724.db2.gz BQFOSZVXRSEXRB-NTZUZEMLSA-N 1 0 342.483 3.177 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000815117728 1318898553 /nfs/dbraw/zinc/89/85/53/1318898553.db2.gz PGPUPNBXZDPCIB-INIZCTEOSA-N 1 0 330.394 3.422 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cc[nH]c(=O)c3)CC2)cc1 ZINC000815148425 1318913100 /nfs/dbraw/zinc/91/31/00/1318913100.db2.gz VVHWLLGLWOXXNR-AWEZNQCLSA-N 1 0 327.428 3.115 20 10 EGCDRO CCCNC(=O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815553721 1319014502 /nfs/dbraw/zinc/01/45/02/1319014502.db2.gz IFFVXXNWDLTIHM-GOSISDBHSA-N 1 0 326.440 3.182 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c(O)c1 ZINC000815573451 1319018098 /nfs/dbraw/zinc/01/80/98/1319018098.db2.gz KZMUVVJILVVZFF-OAHLLOKOSA-N 1 0 342.439 3.185 20 10 EGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000815651340 1319036375 /nfs/dbraw/zinc/03/63/75/1319036375.db2.gz QGZRSVBGHXNVSL-SCLBCKFNSA-N 1 0 338.879 3.252 20 10 EGCDRO CC[C@@H](NCc1ncn(-c2ccccc2)n1)c1ccc(F)cc1O ZINC000815658323 1319039139 /nfs/dbraw/zinc/03/91/39/1319039139.db2.gz ZCCYUSSDJWWKFR-MRXNPFEDSA-N 1 0 326.375 3.353 20 10 EGCDRO NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816483532 1319163498 /nfs/dbraw/zinc/16/34/98/1319163498.db2.gz VVOSFPCXIHRSDP-UHFFFAOYSA-N 1 0 334.419 3.423 20 10 EGCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816499373 1319167844 /nfs/dbraw/zinc/16/78/44/1319167844.db2.gz NYPXNWSFSPPVPV-QGZVFWFLSA-N 1 0 326.440 3.284 20 10 EGCDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000816597186 1319190380 /nfs/dbraw/zinc/19/03/80/1319190380.db2.gz INUIDRADLVUJIJ-GOEBONIOSA-N 1 0 335.444 3.393 20 10 EGCDRO Oc1c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)ccc2ccccc21 ZINC000816600781 1319191968 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EGCDRO COc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940555 1319468203 /nfs/dbraw/zinc/46/82/03/1319468203.db2.gz JUMWDMIEZZTDPU-YWZLYKJASA-N 1 0 327.472 3.420 20 10 EGCDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCCCSc1nccs1 ZINC000817941942 1319469963 /nfs/dbraw/zinc/46/99/63/1319469963.db2.gz UDSHVSLLUHSBOZ-CYBMUJFWSA-N 1 0 327.519 3.039 20 10 EGCDRO CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817942741 1319470120 /nfs/dbraw/zinc/47/01/20/1319470120.db2.gz QSMLQSSXPRAOKL-BLLLJJGKSA-N 1 0 332.517 3.431 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000817944354 1319472445 /nfs/dbraw/zinc/47/24/45/1319472445.db2.gz ZQSSQYOGJNEQSD-RTBURBONSA-N 1 0 325.456 3.256 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817983208 1319485538 /nfs/dbraw/zinc/48/55/38/1319485538.db2.gz ZIWVIGGNHFTABG-FZMZJTMJSA-N 1 0 333.259 3.118 20 10 EGCDRO CC(C)n1cncc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818180153 1319511257 /nfs/dbraw/zinc/51/12/57/1319511257.db2.gz UBQRKTVQNHLBOT-UHFFFAOYSA-N 1 0 330.501 3.307 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000818342298 1319530737 /nfs/dbraw/zinc/53/07/37/1319530737.db2.gz OOWPSOCTOMWTSL-OXQOHEQNSA-N 1 0 332.488 3.316 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C3(OC)CCCC3)C2)cc1 ZINC000818341992 1319530960 /nfs/dbraw/zinc/53/09/60/1319530960.db2.gz JXZBSPHOHRMJMD-DLBZAZTESA-N 1 0 332.488 3.459 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)C12CCC2 ZINC000818343154 1319531963 /nfs/dbraw/zinc/53/19/63/1319531963.db2.gz YTWSDSDGHLVTBD-NSISKUIASA-N 1 0 344.499 3.459 20 10 EGCDRO COC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000818343119 1319532219 /nfs/dbraw/zinc/53/22/19/1319532219.db2.gz YEIBOOGONIRRFL-JXFKEZNVSA-N 1 0 332.488 3.316 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CC3CCOCC3)C2)cc1 ZINC000818345984 1319533634 /nfs/dbraw/zinc/53/36/34/1319533634.db2.gz ZFBGSPGMOBYELM-AEFFLSMTSA-N 1 0 332.488 3.316 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2cccc(F)c2)cc1F ZINC000818985024 1319605779 /nfs/dbraw/zinc/60/57/79/1319605779.db2.gz LQRPPVIUWMSHII-UHFFFAOYSA-N 1 0 333.382 3.149 20 10 EGCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)c3c(F)cccc3F)ccc21 ZINC000818985733 1319606149 /nfs/dbraw/zinc/60/61/49/1319606149.db2.gz ZEKDATWESYYWSO-GOSISDBHSA-N 1 0 332.394 3.170 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1ccc2ccccc2c1 ZINC000818996021 1319610620 /nfs/dbraw/zinc/61/06/20/1319610620.db2.gz AFOSGJUPQUJCKB-FQEVSTJZSA-N 1 0 349.430 3.304 20 10 EGCDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819038845 1319620784 /nfs/dbraw/zinc/62/07/84/1319620784.db2.gz JODJQWFFHYHQHK-FQEVSTJZSA-N 1 0 334.504 3.046 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3coc(C)c3)C2)cc1C ZINC000961767321 1319729433 /nfs/dbraw/zinc/72/94/33/1319729433.db2.gz IHTAHSYLVZOWGQ-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000918206478 1319933608 /nfs/dbraw/zinc/93/36/08/1319933608.db2.gz HTTGGYOXINSXSJ-QGZVFWFLSA-N 1 0 346.519 3.064 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000823608861 1320191544 /nfs/dbraw/zinc/19/15/44/1320191544.db2.gz LNVJNEGNBLLLQT-HNNXBMFYSA-N 1 0 346.496 3.049 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)ncc1F)c1ccc(N2CCOCC2)cc1 ZINC000823729877 1320201674 /nfs/dbraw/zinc/20/16/74/1320201674.db2.gz LOEJIEIMVCBCNY-ZDUSSCGKSA-N 1 0 333.382 3.047 20 10 EGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCC34CCC4)cc2)C1 ZINC000824085299 1320227883 /nfs/dbraw/zinc/22/78/83/1320227883.db2.gz LYFHXFUGMWJVIW-PKOBYXMFSA-N 1 0 341.499 3.201 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000824345198 1320249415 /nfs/dbraw/zinc/24/94/15/1320249415.db2.gz XMIKGJPJDKVMIC-SFHVURJKSA-N 1 0 334.460 3.291 20 10 EGCDRO CCc1nnc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)[nH]1 ZINC000824445497 1320258780 /nfs/dbraw/zinc/25/87/80/1320258780.db2.gz BMSOYAXVRWFFLY-UHFFFAOYSA-N 1 0 347.466 3.220 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1Cl ZINC000824542513 1320263696 /nfs/dbraw/zinc/26/36/96/1320263696.db2.gz VGCACPFNGPPJSM-UHFFFAOYSA-N 1 0 336.863 3.188 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cc1Cl ZINC000824548238 1320263858 /nfs/dbraw/zinc/26/38/58/1320263858.db2.gz KOVNFYZSTCLDRZ-UHFFFAOYSA-N 1 0 338.879 3.338 20 10 EGCDRO Cc1cc(O)c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000824555046 1320264414 /nfs/dbraw/zinc/26/44/14/1320264414.db2.gz BJDZNRJRMCZFDX-INIZCTEOSA-N 1 0 338.879 3.041 20 10 EGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855924 1320291188 /nfs/dbraw/zinc/29/11/88/1320291188.db2.gz SAIHTHCMAALNQU-WFASDCNBSA-N 1 0 341.293 3.459 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1O ZINC000824861130 1320292315 /nfs/dbraw/zinc/29/23/15/1320292315.db2.gz IHSIQZXIDOMBTF-OAHLLOKOSA-N 1 0 341.329 3.422 20 10 EGCDRO CC[N@H+](Cc1cnc(C)n1C)Cc1cc(Br)ccc1O ZINC000824913384 1320295567 /nfs/dbraw/zinc/29/55/67/1320295567.db2.gz QSHOIFAFDOQECP-UHFFFAOYSA-N 1 0 338.249 3.219 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825016545 1320303913 /nfs/dbraw/zinc/30/39/13/1320303913.db2.gz DQTZIOQAMZHFMX-ZWNOBZJWSA-N 1 0 336.233 3.455 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccccc1O ZINC000825040456 1320306183 /nfs/dbraw/zinc/30/61/83/1320306183.db2.gz KVNYPRCZJVVRHJ-YJBOKZPZSA-N 1 0 326.440 3.180 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000825130996 1320313760 /nfs/dbraw/zinc/31/37/60/1320313760.db2.gz HWBYIQNWVXEKKO-AWEZNQCLSA-N 1 0 337.822 3.434 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CCC[C@@H]2CCOC2)c1O ZINC000825144957 1320314743 /nfs/dbraw/zinc/31/47/43/1320314743.db2.gz SZRHVYDEZMAPBL-GFCCVEGCSA-N 1 0 328.250 3.369 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000825188339 1320317066 /nfs/dbraw/zinc/31/70/66/1320317066.db2.gz JHOXCAGDYOYMPD-ZBFHGGJFSA-N 1 0 329.419 3.090 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CC(C)(C)C(C)(C)O)c1O ZINC000825200511 1320317958 /nfs/dbraw/zinc/31/79/58/1320317958.db2.gz DPKKTRZIUVEXRX-UHFFFAOYSA-N 1 0 346.265 3.050 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CCOCC1 ZINC000825332255 1320328070 /nfs/dbraw/zinc/32/80/70/1320328070.db2.gz XXVAHVNGDGDMQJ-CQSZACIVSA-N 1 0 328.250 3.450 20 10 EGCDRO Oc1cccc2c1C[C@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC000825699707 1320355729 /nfs/dbraw/zinc/35/57/29/1320355729.db2.gz WVXIOAKROPIWBG-CYBMUJFWSA-N 1 0 334.213 3.117 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000825933607 1320372466 /nfs/dbraw/zinc/37/24/66/1320372466.db2.gz BETACVGALOFANM-KSSFIOAISA-N 1 0 343.423 3.419 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H](O)c1ccccc1 ZINC000825940187 1320373050 /nfs/dbraw/zinc/37/30/50/1320373050.db2.gz PCFZZLJXQIDKPG-MEDUHNTESA-N 1 0 336.229 3.366 20 10 EGCDRO OC[C@@H]([C@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1)C1CC1 ZINC000826063978 1320381663 /nfs/dbraw/zinc/38/16/63/1320381663.db2.gz BQQNNRRYAJYEDX-GDBMZVCRSA-N 1 0 340.261 3.041 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000826122331 1320385198 /nfs/dbraw/zinc/38/51/98/1320385198.db2.gz ZZEDJBBUCRJGHG-JKSUJKDBSA-N 1 0 348.240 3.463 20 10 EGCDRO O=C(NCCCSc1nccs1)C1C[NH+](C2CCCCC2)C1 ZINC000837415019 1320614076 /nfs/dbraw/zinc/61/40/76/1320614076.db2.gz VCAMNIDTQCSLGS-UHFFFAOYSA-N 1 0 339.530 3.006 20 10 EGCDRO c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)nc2c1CCC2 ZINC000838904519 1320832324 /nfs/dbraw/zinc/83/23/24/1320832324.db2.gz NLQDDKYMUXCIEY-UHFFFAOYSA-N 1 0 339.508 3.413 20 10 EGCDRO Cc1cc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)no1 ZINC000838926176 1320836820 /nfs/dbraw/zinc/83/68/20/1320836820.db2.gz NDUIRBBUSLPVFT-UHFFFAOYSA-N 1 0 337.370 3.343 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000839539393 1320934793 /nfs/dbraw/zinc/93/47/93/1320934793.db2.gz MLMZZUXVFVOEHW-HDMKZQKVSA-N 1 0 346.471 3.233 20 10 EGCDRO CC(C)OCCOC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000840145459 1321038108 /nfs/dbraw/zinc/03/81/08/1321038108.db2.gz XPECHZNHHAINLF-UHFFFAOYSA-N 1 0 344.455 3.346 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000840757663 1321142413 /nfs/dbraw/zinc/14/24/13/1321142413.db2.gz BQCBMVOLGVXLEQ-CYBMUJFWSA-N 1 0 333.382 3.047 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c(O)c1C ZINC000840797140 1321150677 /nfs/dbraw/zinc/15/06/77/1321150677.db2.gz IOYHCARAKKZALE-DOTOQJQBSA-N 1 0 349.471 3.075 20 10 EGCDRO O=C1NCCC[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000840825741 1321157310 /nfs/dbraw/zinc/15/73/10/1321157310.db2.gz KFTUMUDQDLVASB-HKUYNNGSSA-N 1 0 338.451 3.182 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840863007 1321164358 /nfs/dbraw/zinc/16/43/58/1321164358.db2.gz DMKBLDRYOMMLOX-GOEBONIOSA-N 1 0 328.412 3.472 20 10 EGCDRO NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000840862950 1321164407 /nfs/dbraw/zinc/16/44/07/1321164407.db2.gz CSQSBDRZAGNXOF-HOTGVXAUSA-N 1 0 326.396 3.090 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c(O)c1 ZINC000840866797 1321164915 /nfs/dbraw/zinc/16/49/15/1321164915.db2.gz ZUINJOOQZWFDKT-HOCLYGCPSA-N 1 0 328.412 3.472 20 10 EGCDRO CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000840893419 1321171746 /nfs/dbraw/zinc/17/17/46/1321171746.db2.gz NOZQFASFAJNYEG-QGZVFWFLSA-N 1 0 338.517 3.008 20 10 EGCDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000840890692 1321171980 /nfs/dbraw/zinc/17/19/80/1321171980.db2.gz OFNSTJYTJIZEDT-MRXNPFEDSA-N 1 0 338.517 3.152 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000840892942 1321172000 /nfs/dbraw/zinc/17/20/00/1321172000.db2.gz FHRCZDBPBYAGLY-HZPDHXFCSA-N 1 0 326.488 3.486 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000840948362 1321184155 /nfs/dbraw/zinc/18/41/55/1321184155.db2.gz UBBVHTMMIPSKQS-OAQYLSRUSA-N 1 0 339.483 3.240 20 10 EGCDRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841033955 1321205458 /nfs/dbraw/zinc/20/54/58/1321205458.db2.gz CWMVZPQAUPBDTK-GOEBONIOSA-N 1 0 340.414 3.158 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000841041374 1321207286 /nfs/dbraw/zinc/20/72/86/1321207286.db2.gz HOSGXVCMUCJAMC-IJEWVQPXSA-N 1 0 329.410 3.463 20 10 EGCDRO COc1cc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)ccc1SC ZINC000841042353 1321207998 /nfs/dbraw/zinc/20/79/98/1321207998.db2.gz IOYUZAANRMGDJT-QGZVFWFLSA-N 1 0 345.512 3.273 20 10 EGCDRO COc1cccc2cc(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)oc21 ZINC000841046046 1321209418 /nfs/dbraw/zinc/20/94/18/1321209418.db2.gz VGBVRIROAHLIFL-GOSISDBHSA-N 1 0 339.439 3.297 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H]2NCCc3ccccc32)ccc1OC ZINC000841068882 1321213289 /nfs/dbraw/zinc/21/32/89/1321213289.db2.gz JQRUWIPYEWYMLR-HXUWFJFHSA-N 1 0 340.467 3.208 20 10 EGCDRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000841301645 1321249687 /nfs/dbraw/zinc/24/96/87/1321249687.db2.gz BVHLGOHFRSJVJQ-GOSISDBHSA-N 1 0 326.444 3.256 20 10 EGCDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000841300676 1321249772 /nfs/dbraw/zinc/24/97/72/1321249772.db2.gz ZLNAYISDVPIRLS-KDOFPFPSSA-N 1 0 326.444 3.390 20 10 EGCDRO Nc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000841301129 1321249999 /nfs/dbraw/zinc/24/99/99/1321249999.db2.gz BLYCQARXLPZBCF-UHFFFAOYSA-N 1 0 344.484 3.364 20 10 EGCDRO CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000841309914 1321252270 /nfs/dbraw/zinc/25/22/70/1321252270.db2.gz BDTOBUNVXYMCCX-UHFFFAOYSA-N 1 0 326.444 3.184 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000841718843 1321301962 /nfs/dbraw/zinc/30/19/62/1321301962.db2.gz CQEOQEWEMIGPJU-GOSISDBHSA-N 1 0 334.508 3.048 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000841719657 1321302583 /nfs/dbraw/zinc/30/25/83/1321302583.db2.gz MVKKDYJRLRREKN-LJQANCHMSA-N 1 0 340.471 3.032 20 10 EGCDRO COc1ccc([C@@H](C[NH3+])CN2CCCc3cc(OC)ccc32)cc1 ZINC000842471672 1321392225 /nfs/dbraw/zinc/39/22/25/1321392225.db2.gz RIAVGIXDKRLKQF-KRWDZBQOSA-N 1 0 326.440 3.199 20 10 EGCDRO Nc1ccc(Cc2nc(-c3nc(C4([NH3+])CCCC4)no3)cs2)cc1 ZINC000842589844 1321404200 /nfs/dbraw/zinc/40/42/00/1321404200.db2.gz GQNMVLWEXCOYBQ-UHFFFAOYSA-N 1 0 341.440 3.094 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCS[C@@H]2C)c1O ZINC000842778042 1321431376 /nfs/dbraw/zinc/43/13/76/1321431376.db2.gz DJZATBKUICSGHQ-LDYMZIIASA-N 1 0 332.263 3.147 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1cc(Br)ccc1O ZINC000842896741 1321447245 /nfs/dbraw/zinc/44/72/45/1321447245.db2.gz ZMNDJDNNHCBVHH-NSHDSACASA-N 1 0 336.229 3.498 20 10 EGCDRO Cc1cc(Br)cc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1O ZINC000843044644 1321460493 /nfs/dbraw/zinc/46/04/93/1321460493.db2.gz DLGQGIAQDYZDMF-BXUZGUMPSA-N 1 0 327.266 3.165 20 10 EGCDRO CCOc1ccc(O)c(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1 ZINC000843118605 1321473454 /nfs/dbraw/zinc/47/34/54/1321473454.db2.gz OAUCALNXFBTUGX-GOSISDBHSA-N 1 0 330.403 3.077 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843123095 1321473547 /nfs/dbraw/zinc/47/35/47/1321473547.db2.gz GUMACCBRWFSXQP-MRXNPFEDSA-N 1 0 339.277 3.039 20 10 EGCDRO Cc1cc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000843299554 1321500020 /nfs/dbraw/zinc/50/00/20/1321500020.db2.gz XRMQLFBDNTZBML-GOSISDBHSA-N 1 0 325.456 3.108 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000843323749 1321501337 /nfs/dbraw/zinc/50/13/37/1321501337.db2.gz BRBMLEGCTOYUMA-HOCLYGCPSA-N 1 0 343.446 3.351 20 10 EGCDRO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349483 1321503730 /nfs/dbraw/zinc/50/37/30/1321503730.db2.gz BCUWJCXTRGNAQJ-CVEARBPZSA-N 1 0 349.478 3.264 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccccc2F)no1 ZINC000843350144 1321504260 /nfs/dbraw/zinc/50/42/60/1321504260.db2.gz KDCJJJZZPLRKNF-UHFFFAOYSA-N 1 0 338.386 3.287 20 10 EGCDRO Cc1cc(C)c(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c(C)c1 ZINC000843350505 1321504300 /nfs/dbraw/zinc/50/43/00/1321504300.db2.gz TVTNIQPPXMZRBB-UHFFFAOYSA-N 1 0 337.467 3.462 20 10 EGCDRO COc1ccc([N+](=O)[O-])cc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350515 1321504450 /nfs/dbraw/zinc/50/44/50/1321504450.db2.gz UDYZENIFWKXENK-UHFFFAOYSA-N 1 0 327.384 3.015 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000843487885 1321522224 /nfs/dbraw/zinc/52/22/24/1321522224.db2.gz LEGOQGNACGWXPR-FCEWJHQRSA-N 1 0 338.451 3.480 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000843487425 1321522297 /nfs/dbraw/zinc/52/22/97/1321522297.db2.gz FCFNSFGIWOCNEE-KXBFYZLASA-N 1 0 338.451 3.480 20 10 EGCDRO C[C@H]([NH3+])[C@H](C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843487953 1321522359 /nfs/dbraw/zinc/52/23/59/1321522359.db2.gz MPTAYGBNRXLJBN-JYJNAYRXSA-N 1 0 326.440 3.465 20 10 EGCDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000846058793 1321765246 /nfs/dbraw/zinc/76/52/46/1321765246.db2.gz UAXIRWADOGMYOJ-GFCCVEGCSA-N 1 0 349.814 3.276 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c1O ZINC000846137812 1321770006 /nfs/dbraw/zinc/77/00/06/1321770006.db2.gz HIIDHPMYKJFDIU-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c1O ZINC000846139635 1321770626 /nfs/dbraw/zinc/77/06/26/1321770626.db2.gz PNYLLPZEANDFHZ-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1ccc(CC[NH2+][C@H](C)c2cccc(OC)c2O)c(OC)c1 ZINC000846141283 1321770684 /nfs/dbraw/zinc/77/06/84/1321770684.db2.gz HOKAWSSFXMUCDF-CYBMUJFWSA-N 1 0 331.412 3.311 20 10 EGCDRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)CC(C)C ZINC000846138724 1321770812 /nfs/dbraw/zinc/77/08/12/1321770812.db2.gz NFWMRSXVBLVTQU-KGLIPLIRSA-N 1 0 338.448 3.212 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1O ZINC000846142991 1321771403 /nfs/dbraw/zinc/77/14/03/1321771403.db2.gz XLIDTDRKQLIENU-LLVKDONJSA-N 1 0 332.356 3.168 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000846145315 1321771525 /nfs/dbraw/zinc/77/15/25/1321771525.db2.gz NYUYTPMEVPOECP-RYUDHWBXSA-N 1 0 329.400 3.303 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1O ZINC000846144894 1321771629 /nfs/dbraw/zinc/77/16/29/1321771629.db2.gz KUDYQSWTTRPDGW-CYBMUJFWSA-N 1 0 329.396 3.413 20 10 EGCDRO COC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846169379 1321773756 /nfs/dbraw/zinc/77/37/56/1321773756.db2.gz DGGYWOVXQYBDJE-GFCCVEGCSA-N 1 0 330.384 3.430 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846662171 1321799488 /nfs/dbraw/zinc/79/94/88/1321799488.db2.gz LSYXBLJMWUNBBO-GOSISDBHSA-N 1 0 329.488 3.025 20 10 EGCDRO Fc1cc(C[NH2+]Cc2ccc3[nH]ccc3c2)ccc1N1CCOCC1 ZINC000848531179 1321970115 /nfs/dbraw/zinc/97/01/15/1321970115.db2.gz OIRYBEFDSVFENI-UHFFFAOYSA-N 1 0 339.414 3.433 20 10 EGCDRO COC(=O)/C=C\c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000848877840 1322026665 /nfs/dbraw/zinc/02/66/65/1322026665.db2.gz ULDCARADPVZNMO-QXMHVHEDSA-N 1 0 328.412 3.164 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1O ZINC000848888218 1322030040 /nfs/dbraw/zinc/03/00/40/1322030040.db2.gz PCVKEGXMQPTPQK-UHFFFAOYSA-N 1 0 330.472 3.179 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1O ZINC000848890550 1322031176 /nfs/dbraw/zinc/03/11/76/1322031176.db2.gz RJYLVRYSQPCQJT-WOJBJXKFSA-N 1 0 341.451 3.279 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1O ZINC000848890547 1322031483 /nfs/dbraw/zinc/03/14/83/1322031483.db2.gz RJYLVRYSQPCQJT-PMACEKPBSA-N 1 0 341.451 3.279 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H](c2cccc(OC)c2)N(C)C)c1O ZINC000848891022 1322032228 /nfs/dbraw/zinc/03/22/28/1322032228.db2.gz MYQCUXKRIWCONU-LJQANCHMSA-N 1 0 328.456 3.356 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c1O ZINC000848893528 1322032628 /nfs/dbraw/zinc/03/26/28/1322032628.db2.gz FZTDSHCZBVIDDW-UHFFFAOYSA-N 1 0 340.467 3.077 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1O ZINC000848894425 1322033271 /nfs/dbraw/zinc/03/32/71/1322033271.db2.gz FCARFEXYFCYDJX-KRWDZBQOSA-N 1 0 339.357 3.494 20 10 EGCDRO CCc1cccc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)c1O ZINC000848896736 1322035605 /nfs/dbraw/zinc/03/56/05/1322035605.db2.gz ICOIIFUOLZEDSH-UHFFFAOYSA-N 1 0 330.403 3.003 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](CC)CS(=O)(=O)c2ccccc2)c1O ZINC000848899968 1322037604 /nfs/dbraw/zinc/03/76/04/1322037604.db2.gz VYTCZQIQHMTQOO-KRWDZBQOSA-N 1 0 347.480 3.297 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)c1O ZINC000848899580 1322037900 /nfs/dbraw/zinc/03/79/00/1322037900.db2.gz QAKWYSZLGBECNB-LJQANCHMSA-N 1 0 338.451 3.235 20 10 EGCDRO CCc1cccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000848905261 1322041110 /nfs/dbraw/zinc/04/11/10/1322041110.db2.gz FTIRNFCQIVMEBY-LJQANCHMSA-N 1 0 338.451 3.188 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN3Cc4cc(F)c(F)cc4C3)cc2)CC1 ZINC000848925285 1322046798 /nfs/dbraw/zinc/04/67/98/1322046798.db2.gz AVOROWBETKTMPA-UHFFFAOYSA-N 1 0 343.421 3.232 20 10 EGCDRO COc1cc(C[NH2+]CCCNC(=O)C2CCC2)c(O)c(C(C)(C)C)c1 ZINC000850172346 1322201788 /nfs/dbraw/zinc/20/17/88/1322201788.db2.gz GYMJWGZGCKVDLE-UHFFFAOYSA-N 1 0 348.487 3.094 20 10 EGCDRO COc1cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850228660 1322211060 /nfs/dbraw/zinc/21/10/60/1322211060.db2.gz KAFULEFQAJHUKU-OAHLLOKOSA-N 1 0 335.366 3.101 20 10 EGCDRO COc1cc(C[NH2+]CCc2nnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850300946 1322225314 /nfs/dbraw/zinc/22/53/14/1322225314.db2.gz DDCNXOHZCOXLHA-UHFFFAOYSA-N 1 0 335.473 3.191 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](COC)c2cccc(OC)c2)c1O ZINC000850362368 1322234658 /nfs/dbraw/zinc/23/46/58/1322234658.db2.gz MDVOJVKBVDWKBP-KRWDZBQOSA-N 1 0 331.412 3.277 20 10 EGCDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000850394822 1322238184 /nfs/dbraw/zinc/23/81/84/1322238184.db2.gz FIRXWPWGKGISCN-QGZVFWFLSA-N 1 0 346.475 3.159 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1C ZINC000850416483 1322242867 /nfs/dbraw/zinc/24/28/67/1322242867.db2.gz JLSRYALPTBBAOB-UHFFFAOYSA-N 1 0 326.440 3.130 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000850418293 1322244094 /nfs/dbraw/zinc/24/40/94/1322244094.db2.gz DGIQQDAJSHVUQD-INIZCTEOSA-N 1 0 341.329 3.031 20 10 EGCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000850466228 1322253904 /nfs/dbraw/zinc/25/39/04/1322253904.db2.gz FVSQNSSALHPBCG-HUUCEWRRSA-N 1 0 347.894 3.346 20 10 EGCDRO CCOC1CCC([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850473579 1322255187 /nfs/dbraw/zinc/25/51/87/1322255187.db2.gz AYTOPORIUMNTCF-VXESANQCSA-N 1 0 332.488 3.459 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000850516544 1322260032 /nfs/dbraw/zinc/26/00/32/1322260032.db2.gz WYJPWXQOPNLIFX-MNOVXSKESA-N 1 0 328.250 3.275 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000850556749 1322266012 /nfs/dbraw/zinc/26/60/12/1322266012.db2.gz JBAPUGWPTPVTBS-OXQOHEQNSA-N 1 0 331.504 3.047 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000850562695 1322268883 /nfs/dbraw/zinc/26/88/83/1322268883.db2.gz PCVFLJVMQSDKFF-VFNWGFHPSA-N 1 0 347.499 3.489 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc4c3OCC4)C2)cc1 ZINC000922197624 1322477138 /nfs/dbraw/zinc/47/71/38/1322477138.db2.gz WDJXNZJGOOREKP-MRXNPFEDSA-N 1 0 338.451 3.246 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(C4CC4)n(C)n3)CC2)cc1 ZINC000922953178 1322658901 /nfs/dbraw/zinc/65/89/01/1322658901.db2.gz NFGPOCPYJBMSGW-UHFFFAOYSA-N 1 0 340.471 3.065 20 10 EGCDRO CCn1nccc1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000853093105 1323278638 /nfs/dbraw/zinc/27/86/38/1323278638.db2.gz CEPBPFZOSYBRPR-UHFFFAOYSA-N 1 0 343.431 3.091 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)CC(C)C)C[C@@H]32)cc1C ZINC001026177351 1324644817 /nfs/dbraw/zinc/64/48/17/1324644817.db2.gz BVYFEJGTYWOZQL-GBESFXJTSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3C=CCC3)C2)cc1C ZINC001026674199 1324967161 /nfs/dbraw/zinc/96/71/61/1324967161.db2.gz PXGOIGDJRGUULW-IEBWSBKVSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)cc1C ZINC001026680125 1324971257 /nfs/dbraw/zinc/97/12/57/1324971257.db2.gz RJWUMYINMKBBLY-OALUTQOASA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3CC(C)(C)C3)C2)cc1C ZINC001026821255 1325033370 /nfs/dbraw/zinc/03/33/70/1325033370.db2.gz CAKUQNWTNOAZQZ-KRWDZBQOSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1OC ZINC000853573366 1325126447 /nfs/dbraw/zinc/12/64/47/1325126447.db2.gz XQCNTPOAYPPYRA-KRWDZBQOSA-N 1 0 335.444 3.191 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3CC4(CC4)C3)C2)cc1C ZINC001027055086 1325194170 /nfs/dbraw/zinc/19/41/70/1325194170.db2.gz WOFPBEODAZVVBD-QGZVFWFLSA-N 1 0 342.483 3.132 20 10 EGCDRO C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000854222034 1325230544 /nfs/dbraw/zinc/23/05/44/1325230544.db2.gz BUKMYVJQQJTEJT-VIFPVBQESA-N 1 0 331.229 3.216 20 10 EGCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854514423 1325270186 /nfs/dbraw/zinc/27/01/86/1325270186.db2.gz BLSOJNNEGKDKEI-GJZGRUSLSA-N 1 0 349.438 3.208 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)cc1Cl ZINC000857063496 1325566718 /nfs/dbraw/zinc/56/67/18/1325566718.db2.gz UMWUONWFNUWSMZ-GOSISDBHSA-N 1 0 349.862 3.033 20 10 EGCDRO CCOC[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862244449 1329470408 /nfs/dbraw/zinc/47/04/08/1329470408.db2.gz AZVUVAAVGYKDJO-LBPRGKRZSA-N 1 0 328.250 3.403 20 10 EGCDRO CC(C)CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862253231 1329471847 /nfs/dbraw/zinc/47/18/47/1329471847.db2.gz KDYCFUUCEQCWHU-GFCCVEGCSA-N 1 0 328.250 3.402 20 10 EGCDRO C[NH+](C)[C@H]1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000862347056 1329476465 /nfs/dbraw/zinc/47/64/65/1329476465.db2.gz KUMZNHIRFWHUPM-LBPRGKRZSA-N 1 0 327.266 3.071 20 10 EGCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(O)cccc1Br ZINC000862365293 1329478278 /nfs/dbraw/zinc/47/82/78/1329478278.db2.gz ONDVBZIHRQARQU-OLZOCXBDSA-N 1 0 339.277 3.213 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H](O)COCc2ccccc2)cc1Cl ZINC000862548181 1329495968 /nfs/dbraw/zinc/49/59/68/1329495968.db2.gz ZYGZEVJHGAEGFH-QGZVFWFLSA-N 1 0 349.858 3.411 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)OCO2 ZINC000865650443 1329725299 /nfs/dbraw/zinc/72/52/99/1329725299.db2.gz DIROJOHMVPYZHN-KDOFPFPSSA-N 1 0 349.333 3.019 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(Cl)cc1O ZINC000866436750 1330112301 /nfs/dbraw/zinc/11/23/01/1330112301.db2.gz RJMNYASYCPSNLK-PELKAZGASA-N 1 0 334.729 3.091 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc(Br)cc1O ZINC000866464775 1330115849 /nfs/dbraw/zinc/11/58/49/1330115849.db2.gz YPHMAYTWBWRTMJ-HFJPGXAFSA-N 1 0 342.155 3.117 20 10 EGCDRO C[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1O ZINC000868103257 1330249698 /nfs/dbraw/zinc/24/96/98/1330249698.db2.gz QJCQLLCMNXUZEF-HZPDHXFCSA-N 1 0 333.476 3.407 20 10 EGCDRO CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000939035117 1330361438 /nfs/dbraw/zinc/36/14/38/1330361438.db2.gz OITACAUCYHUBKJ-NVXWUHKLSA-N 1 0 332.488 3.376 20 10 EGCDRO CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CCC1 ZINC000969638151 1336232298 /nfs/dbraw/zinc/23/22/98/1336232298.db2.gz VMEGILNZGRCENL-QGZVFWFLSA-N 1 0 330.472 3.274 20 10 EGCDRO CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674323 1337058398 /nfs/dbraw/zinc/05/83/98/1337058398.db2.gz QRBSJBIQKWRLDH-BBRMVZONSA-N 1 0 345.447 3.089 20 10 EGCDRO CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674332 1337058602 /nfs/dbraw/zinc/05/86/02/1337058602.db2.gz QRBSJBIQKWRLDH-CJNGLKHVSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)cc1C ZINC001018676362 1339698406 /nfs/dbraw/zinc/69/84/06/1339698406.db2.gz WNLOPHBCWNNACX-PNYFIKQUSA-N 1 0 342.483 3.130 20 10 EGCDRO CCc1occc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018790071 1339727453 /nfs/dbraw/zinc/72/74/53/1339727453.db2.gz ZIVFEUFXGXVYMV-INIZCTEOSA-N 1 0 342.439 3.163 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](F)C(C)C)cc1C ZINC001035021897 1342881483 /nfs/dbraw/zinc/88/14/83/1342881483.db2.gz HXRHPUDLRNWPOT-SJLPKXTDSA-N 1 0 336.451 3.078 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC=CC3)C[C@@H]2C)cc1C ZINC001035970961 1343293678 /nfs/dbraw/zinc/29/36/78/1343293678.db2.gz DPCHFPMLYVLUGA-QFBILLFUSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)C2CC2)cc1C ZINC001036482979 1343508656 /nfs/dbraw/zinc/50/86/56/1343508656.db2.gz CPBCYWZJHLITBK-RDTXWAMCSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)C(C)C)cc1C ZINC001036509534 1343525858 /nfs/dbraw/zinc/52/58/58/1343525858.db2.gz LLZMAPHHVHSHAR-CRAIPNDOSA-N 1 0 332.488 3.376 20 10 EGCDRO CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC001044876513 1346452702 /nfs/dbraw/zinc/45/27/02/1346452702.db2.gz GJCHOMCURLQOIE-BBRMVZONSA-N 1 0 345.447 3.088 20 10 EGCDRO C/C=C(/C)C(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001047784775 1347370339 /nfs/dbraw/zinc/37/03/39/1347370339.db2.gz NEOUGZZEXMJCGB-NCKXEGHVSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C3(C)CC3)C2)cc1C ZINC001047850664 1347388360 /nfs/dbraw/zinc/38/83/60/1347388360.db2.gz ATVNEFBTGHEIHO-NVXWUHKLSA-N 1 0 330.472 3.130 20 10 EGCDRO CCC1(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001048377124 1347535974 /nfs/dbraw/zinc/53/59/74/1347535974.db2.gz HCKFGHQZHRTBAQ-AEFFLSMTSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(CNC(C)=O)cc2)cc1C ZINC001050256289 1348220120 /nfs/dbraw/zinc/22/01/20/1348220120.db2.gz QLUKCFNUBXIKAG-OAHLLOKOSA-N 1 0 326.440 3.491 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccc(C)o3)C[C@@H]2C)cc1C ZINC001054363498 1349335778 /nfs/dbraw/zinc/33/57/78/1349335778.db2.gz PYRUSYFRWLOFAH-YOEHRIQHSA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cc(C)co3)C[C@H]2C)cc1C ZINC001054986662 1349539117 /nfs/dbraw/zinc/53/91/17/1349539117.db2.gz OBOCZMAKFOQUAD-WBVHZDCISA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC3CC3)CC[C@H]2C)cc1C ZINC001072157362 1355157986 /nfs/dbraw/zinc/15/79/86/1355157986.db2.gz SRCDNSLUHSXXNH-DNVCBOLYSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(C)C)CC[C@@H]2C)cc1C ZINC001072203340 1355185796 /nfs/dbraw/zinc/18/57/96/1355185796.db2.gz BNJOBCUFSYVZDQ-YJBOKZPZSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](F)C(C)C)[C@H]2C)cc1C ZINC001074812010 1356250610 /nfs/dbraw/zinc/25/06/10/1356250610.db2.gz RRNSPAUFBOMJFO-QILLFSRXSA-N 1 0 336.451 3.077 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)CC3CC3)C23CCC3)cc1C ZINC001078531289 1356998882 /nfs/dbraw/zinc/99/88/82/1356998882.db2.gz JYNIJHYKUOSSNJ-MOPGFXCFSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@H](F)C3)C2)cc1C ZINC001086179895 1359017156 /nfs/dbraw/zinc/01/71/56/1359017156.db2.gz VYDQOOSCGQMFDJ-XLAORIBOSA-N 1 0 348.462 3.126 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3coc(C)c3)C2)cc1C ZINC001086350003 1359074010 /nfs/dbraw/zinc/07/40/10/1359074010.db2.gz BPXISVRNXMXZJU-SAABIXHNSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C2CC2)cc1C ZINC001087107706 1359287708 /nfs/dbraw/zinc/28/77/08/1359287708.db2.gz JVGIHHUXMRJVNC-KDOFPFPSSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@]34C[C@H]3CCC4)C2)cc1C ZINC001091154887 1360999167 /nfs/dbraw/zinc/99/91/67/1360999167.db2.gz UFFSFXAPHLCZTP-ZTNRTKLDSA-N 1 0 342.483 3.178 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1N(C)C ZINC001324489929 1387644608 /nfs/dbraw/zinc/64/46/08/1387644608.db2.gz RFIWYRSWFRRUIF-QGZVFWFLSA-N 1 0 326.488 3.249 20 10 EGCDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC001324733176 1387756088 /nfs/dbraw/zinc/75/60/88/1387756088.db2.gz IHGYGROFXVPLFE-IBGZPJMESA-N 1 0 345.531 3.218 20 10 EGCDRO CC(C)CCC[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001113703896 1369577172 /nfs/dbraw/zinc/57/71/72/1369577172.db2.gz RHBUTLNEKLHGRW-UHFFFAOYSA-N 1 0 345.447 3.043 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](CCCC(F)(F)F)CC2)cc1 ZINC001202443248 1369773386 /nfs/dbraw/zinc/77/33/86/1369773386.db2.gz PQZKFGGLICGGGO-UHFFFAOYSA-N 1 0 346.393 3.176 20 10 EGCDRO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203552659 1370167690 /nfs/dbraw/zinc/16/76/90/1370167690.db2.gz PODUDYNAHDHAMJ-SFHVURJKSA-N 1 0 336.435 3.031 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c1O ZINC001203601888 1370183978 /nfs/dbraw/zinc/18/39/78/1370183978.db2.gz PQAWJKDZUUGKBA-MRXNPFEDSA-N 1 0 328.412 3.148 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC3(CCCCN3C(C)=O)CC2)c1O ZINC001203610050 1370187090 /nfs/dbraw/zinc/18/70/90/1370187090.db2.gz SVMSTTSMTIWOHN-UHFFFAOYSA-N 1 0 346.471 3.158 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c(O)c1 ZINC001203621281 1370190202 /nfs/dbraw/zinc/19/02/02/1370190202.db2.gz RBFPHBYERMTNDS-SJORKVTESA-N 1 0 340.467 3.496 20 10 EGCDRO CCOc1cccc(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)c1 ZINC001203629040 1370193107 /nfs/dbraw/zinc/19/31/07/1370193107.db2.gz PKGXVPUDJJETGA-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO C[C@H]1C[C@H]2C[N@H+](Cc3cc(Br)ccc3O)CC[C@H]2O1 ZINC001203639782 1370196663 /nfs/dbraw/zinc/19/66/63/1370196663.db2.gz KIVKQZVDJLGNSM-ITDIGPHOSA-N 1 0 326.234 3.154 20 10 EGCDRO Oc1ccc(Br)cc1C[NH+]1CCC2(CCCO2)CC1 ZINC001203645425 1370199650 /nfs/dbraw/zinc/19/96/50/1370199650.db2.gz IJNOZKLNXMYLNM-UHFFFAOYSA-N 1 0 326.234 3.300 20 10 EGCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203659667 1370206005 /nfs/dbraw/zinc/20/60/05/1370206005.db2.gz XHJMMSRROOLJGX-DLBZAZTESA-N 1 0 325.836 3.063 20 10 EGCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC001203665427 1370208175 /nfs/dbraw/zinc/20/81/75/1370208175.db2.gz JSVVZJAWKHKVIW-HNNXBMFYSA-N 1 0 334.803 3.103 20 10 EGCDRO COc1cccnc1O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665460 1370208464 /nfs/dbraw/zinc/20/84/64/1370208464.db2.gz LHLIZYBLQZBPCO-HNNXBMFYSA-N 1 0 348.830 3.493 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001203681020 1370216042 /nfs/dbraw/zinc/21/60/42/1370216042.db2.gz KXNBFDBSFMJTAP-FXAWDEMLSA-N 1 0 338.451 3.107 20 10 EGCDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC001203884674 1370298945 /nfs/dbraw/zinc/29/89/45/1370298945.db2.gz XFTYTXLTMNGZOS-INIZCTEOSA-N 1 0 327.380 3.222 20 10 EGCDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001203930742 1370319022 /nfs/dbraw/zinc/31/90/22/1370319022.db2.gz HARFCTVLIOZVFA-QZTJIDSGSA-N 1 0 341.524 3.378 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+]2Cc3cn(C)nc3[C@@H](COC)C2)cc1 ZINC001203940599 1370323678 /nfs/dbraw/zinc/32/36/78/1370323678.db2.gz QVBSIDPEQGZPOW-GOSISDBHSA-N 1 0 342.487 3.012 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c2ccccc21 ZINC001204240500 1370418885 /nfs/dbraw/zinc/41/88/85/1370418885.db2.gz VPDXCMUZCSYWPS-QGZVFWFLSA-N 1 0 335.455 3.334 20 10 EGCDRO Oc1ccc(C[NH+]2CCN(c3nsc4ccccc43)CC2)c(O)c1 ZINC001204272455 1370428217 /nfs/dbraw/zinc/42/82/17/1370428217.db2.gz AWQJIKZZXLENFY-UHFFFAOYSA-N 1 0 341.436 3.030 20 10 EGCDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2O)cc1 ZINC001204280715 1370431413 /nfs/dbraw/zinc/43/14/13/1370431413.db2.gz CKAZMYDXRJNWPQ-KRWDZBQOSA-N 1 0 327.380 3.222 20 10 EGCDRO CCOC(=O)C1(C)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204322648 1370444124 /nfs/dbraw/zinc/44/41/24/1370444124.db2.gz UTRWNUFXKSUEIJ-UHFFFAOYSA-N 1 0 330.472 3.452 20 10 EGCDRO c1cnc(OC2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001204322990 1370444147 /nfs/dbraw/zinc/44/41/47/1370444147.db2.gz YGDKIAHSTZTDAN-UHFFFAOYSA-N 1 0 338.455 3.120 20 10 EGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)c(OC)c2)cc1 ZINC001204342526 1370448566 /nfs/dbraw/zinc/44/85/66/1370448566.db2.gz MQOZMKPREVLGEP-MRXNPFEDSA-N 1 0 329.396 3.452 20 10 EGCDRO COc1cc(C[NH+]2CCC3(CC2)OCc2ccccc23)cc(O)c1O ZINC001204345565 1370449726 /nfs/dbraw/zinc/44/97/26/1370449726.db2.gz UPYGDJNRPXCZDW-UHFFFAOYSA-N 1 0 341.407 3.128 20 10 EGCDRO C[C@@]1([NH3+])CCN(Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001204791755 1370576955 /nfs/dbraw/zinc/57/69/55/1370576955.db2.gz SCIJTTPBYPXZIS-MRXNPFEDSA-N 1 0 335.245 3.231 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288130 1370708062 /nfs/dbraw/zinc/70/80/62/1370708062.db2.gz GPHJDLVJJXFHOJ-HNNXBMFYSA-N 1 0 327.266 3.166 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCS(=O)(=O)c1ccccc1 ZINC001116565395 1370937399 /nfs/dbraw/zinc/93/73/99/1370937399.db2.gz QVLZJIYOMJANHB-GDBMZVCRSA-N 1 0 345.464 3.312 20 10 EGCDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001206317799 1371020098 /nfs/dbraw/zinc/02/00/98/1371020098.db2.gz ISIQUCMWMSMBPT-HNNXBMFYSA-N 1 0 345.256 3.245 20 10 EGCDRO [NH3+]CCN(Cc1ccc(N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC001117592083 1371054446 /nfs/dbraw/zinc/05/44/46/1371054446.db2.gz NXEZMSKXPVURFH-UHFFFAOYSA-N 1 0 340.427 3.160 20 10 EGCDRO [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001206749280 1371153143 /nfs/dbraw/zinc/15/31/43/1371153143.db2.gz CHSMXIVHLYOKSL-UHFFFAOYSA-N 1 0 332.394 3.163 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC001118429609 1371180471 /nfs/dbraw/zinc/18/04/71/1371180471.db2.gz DJSBFIJLQUXRKO-SXGZJXTBSA-N 1 0 333.472 3.406 20 10 EGCDRO OCCC1(C[NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC001118856102 1371241143 /nfs/dbraw/zinc/24/11/43/1371241143.db2.gz RROJVBOAOUNNGW-UHFFFAOYSA-N 1 0 328.250 3.187 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1O ZINC001119444956 1371343795 /nfs/dbraw/zinc/34/37/95/1371343795.db2.gz GNUATSROZLMWKQ-LJQANCHMSA-N 1 0 337.423 3.322 20 10 EGCDRO Cc1cc(O)c(CN2CCC([NH2+]C3CCOCC3)CC2)cc1Cl ZINC001119450698 1371345970 /nfs/dbraw/zinc/34/59/70/1371345970.db2.gz MDWYIQDLSAXDFO-UHFFFAOYSA-N 1 0 338.879 3.087 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@H]3CCOC(C)(C)C3)CC2)c(OC)c1 ZINC001207366092 1371375512 /nfs/dbraw/zinc/37/55/12/1371375512.db2.gz NLXPEWRHAVZPKS-INIZCTEOSA-N 1 0 348.487 3.031 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCOC(C)(C)C3)CC2)c(OC)c1 ZINC001207366096 1371375825 /nfs/dbraw/zinc/37/58/25/1371375825.db2.gz NLXPEWRHAVZPKS-MRXNPFEDSA-N 1 0 348.487 3.031 20 10 EGCDRO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001119932547 1371426262 /nfs/dbraw/zinc/42/62/62/1371426262.db2.gz VUOIHRJGGITBJM-UHFFFAOYSA-N 1 0 334.460 3.406 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c(C)cnn2COC)cc1F ZINC001120007327 1371451921 /nfs/dbraw/zinc/45/19/21/1371451921.db2.gz PHNGYHXWLVSEFC-UHFFFAOYSA-N 1 0 334.439 3.071 20 10 EGCDRO COc1ccc(N2CC[NH+](CCc3cccc(F)c3)CC2)c(OC)c1 ZINC001208201897 1371642347 /nfs/dbraw/zinc/64/23/47/1371642347.db2.gz ORFCTSXRFDIKPO-UHFFFAOYSA-N 1 0 344.430 3.208 20 10 EGCDRO CC(C)Oc1ncccc1CC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001208800260 1371900657 /nfs/dbraw/zinc/90/06/57/1371900657.db2.gz LJTAPMIMESZWEP-UHFFFAOYSA-N 1 0 342.439 3.271 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)cc1 ZINC001209516505 1372127220 /nfs/dbraw/zinc/12/72/20/1372127220.db2.gz IYDJWNQALCQHIW-LJQANCHMSA-N 1 0 330.472 3.048 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cc1 ZINC001209516439 1372127255 /nfs/dbraw/zinc/12/72/55/1372127255.db2.gz GQWDCSCPBUAQRU-FQEVSTJZSA-N 1 0 340.467 3.210 20 10 EGCDRO CCC[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214366784 1373049782 /nfs/dbraw/zinc/04/97/82/1373049782.db2.gz NNIPTDVIDHEHSZ-YXJHDRRASA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2c(C)oc(C)c2C)cc1C ZINC001131047004 1373632336 /nfs/dbraw/zinc/63/23/36/1373632336.db2.gz LNMQYHHWLNIWRD-UHFFFAOYSA-N 1 0 330.428 3.041 20 10 EGCDRO Cc1cccc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)c1O ZINC001231593618 1376273016 /nfs/dbraw/zinc/27/30/16/1376273016.db2.gz KJQVZGFYXJPXPG-XJKSGUPXSA-N 1 0 334.460 3.436 20 10 EGCDRO COc1ccc(-c2c(C[N@H+](C)Cc3ccccc3O)cnn2C)cc1 ZINC001232112657 1376401290 /nfs/dbraw/zinc/40/12/90/1376401290.db2.gz NDUJUBLGXXFRKV-UHFFFAOYSA-N 1 0 337.423 3.433 20 10 EGCDRO FC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202642 1376416782 /nfs/dbraw/zinc/41/67/82/1376416782.db2.gz CQCQGQQAMGFHTM-HNNXBMFYSA-N 1 0 326.843 3.358 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2ccoc2)cc1C ZINC001134208828 1376419279 /nfs/dbraw/zinc/41/92/79/1376419279.db2.gz HJQQFQAQPQMXQQ-CVEARBPZSA-N 1 0 344.455 3.212 20 10 EGCDRO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+](C)CC)c2)nc1C ZINC001232450910 1376462184 /nfs/dbraw/zinc/46/21/84/1376462184.db2.gz LRPZASLOQABYAA-UHFFFAOYSA-N 1 0 334.441 3.453 20 10 EGCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232833557 1376521266 /nfs/dbraw/zinc/52/12/66/1376521266.db2.gz AQVYDRBWZYKXNN-OAHLLOKOSA-N 1 0 326.440 3.456 20 10 EGCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232835468 1376521291 /nfs/dbraw/zinc/52/12/91/1376521291.db2.gz CRJPARMOTOHBDQ-LJQANCHMSA-N 1 0 334.460 3.014 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCc3c(=O)[nH]ccc3C2)c1O ZINC001233109908 1376570601 /nfs/dbraw/zinc/57/06/01/1376570601.db2.gz MRHPQWFGSWHADC-UHFFFAOYSA-N 1 0 349.228 3.122 20 10 EGCDRO COCOc1cccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001233279165 1376601497 /nfs/dbraw/zinc/60/14/97/1376601497.db2.gz SDKIKSFCOYKNOQ-UHFFFAOYSA-N 1 0 342.439 3.000 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCO1 ZINC001233287534 1376605283 /nfs/dbraw/zinc/60/52/83/1376605283.db2.gz VDBWLTFTBXPTCW-GOSISDBHSA-N 1 0 334.504 3.232 20 10 EGCDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c1O ZINC001233291217 1376605710 /nfs/dbraw/zinc/60/57/10/1376605710.db2.gz QSTZEAXKDFDUEL-LSDHHAIUSA-N 1 0 342.842 3.062 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c1O ZINC001233289272 1376606059 /nfs/dbraw/zinc/60/60/59/1376606059.db2.gz PHHPIPQNKRUAGG-BYCMXARLSA-N 1 0 325.836 3.301 20 10 EGCDRO CCN(CC[NH+]1CCCCC1)Cc1cc(Cl)cc(OC)c1O ZINC001233289976 1376606725 /nfs/dbraw/zinc/60/67/25/1376606725.db2.gz AEQRIBDLNFMPHR-UHFFFAOYSA-N 1 0 326.868 3.362 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c(O)ccc(F)c1F ZINC001233334474 1376618882 /nfs/dbraw/zinc/61/88/82/1376618882.db2.gz IKBWHKQGWKOUNI-CQSZACIVSA-N 1 0 332.394 3.377 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CC[C@@]1(C)c1cccc(O)c1 ZINC001233486126 1376653413 /nfs/dbraw/zinc/65/34/13/1376653413.db2.gz ZGSHNGFADLBJKX-RNODOKPDSA-N 1 0 343.423 3.309 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736039 1376706146 /nfs/dbraw/zinc/70/61/46/1376706146.db2.gz BSOAQPJQQMHABU-BXUZGUMPSA-N 1 0 331.334 3.292 20 10 EGCDRO COc1cc(O)c(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC001235857324 1376904604 /nfs/dbraw/zinc/90/46/04/1376904604.db2.gz VEAIYEDOMUQUHV-HNNXBMFYSA-N 1 0 346.858 3.071 20 10 EGCDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(OC)cc(OC)c1O)C2 ZINC001237672827 1376982468 /nfs/dbraw/zinc/98/24/68/1376982468.db2.gz JQNQRLOSDLYGHJ-BEFAXECRSA-N 1 0 335.444 3.048 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)cc1Br ZINC001237676266 1376983544 /nfs/dbraw/zinc/98/35/44/1376983544.db2.gz HKLOGAAEIBIBQY-RYUDHWBXSA-N 1 0 328.250 3.056 20 10 EGCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC001249208460 1377072962 /nfs/dbraw/zinc/07/29/62/1377072962.db2.gz ULEPKPXJKSXIJT-MRXNPFEDSA-N 1 0 343.398 3.236 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(C)n1-c1ccccc1 ZINC001137856056 1377631659 /nfs/dbraw/zinc/63/16/59/1377631659.db2.gz OVKBEABBIUOOCB-DUXKGJEZSA-N 1 0 340.467 3.066 20 10 EGCDRO CC(=O)N1CCC2(C[NH+](Cc3cc(C)n(-c4ccccc4)c3C)C2)C1 ZINC001137857715 1377632476 /nfs/dbraw/zinc/63/24/76/1377632476.db2.gz KZDUZZKEPQBOJG-UHFFFAOYSA-N 1 0 337.467 3.148 20 10 EGCDRO CCN1CC[C@]2(CCC[N@H+](Cc3c(C)n(C)c4ccccc43)C2)C1=O ZINC001138255386 1377694178 /nfs/dbraw/zinc/69/41/78/1377694178.db2.gz FMTNOIZSGWILPD-NRFANRHFSA-N 1 0 339.483 3.321 20 10 EGCDRO Cc1c(C[NH+]2CCC3(CCCC(=O)N3)CC2)c2ccccc2n1C ZINC001138255790 1377694904 /nfs/dbraw/zinc/69/49/04/1377694904.db2.gz SJRBYJWDKBSUCT-UHFFFAOYSA-N 1 0 325.456 3.121 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C(=O)OC)CC[C@H]2C)c(OC)c1 ZINC001138386418 1377714058 /nfs/dbraw/zinc/71/40/58/1377714058.db2.gz MRLQPDVNEUBCNQ-NVXWUHKLSA-N 1 0 348.487 3.315 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c(OC)c1 ZINC001138391653 1377714782 /nfs/dbraw/zinc/71/47/82/1377714782.db2.gz HXYZNJSIGKVYDB-LJQANCHMSA-N 1 0 331.504 3.210 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN3Cc4cccc(F)c4C3)cc2)CC1 ZINC001139408779 1377880632 /nfs/dbraw/zinc/88/06/32/1377880632.db2.gz DAGZVCRTMONLHB-UHFFFAOYSA-N 1 0 325.431 3.093 20 10 EGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)ccc1N(C)C ZINC001139669631 1377930739 /nfs/dbraw/zinc/93/07/39/1377930739.db2.gz FBKQRDXUQHCAIX-CJNGLKHVSA-N 1 0 330.394 3.196 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)ccc1N(C)C ZINC001139672269 1377930889 /nfs/dbraw/zinc/93/08/89/1377930889.db2.gz UXLZQKBVGUWKGJ-CTNGQTDRSA-N 1 0 344.499 3.221 20 10 EGCDRO Cc1cc(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)ccc1N(C)C ZINC001139672806 1377931623 /nfs/dbraw/zinc/93/16/23/1377931623.db2.gz GMODGZMUPSIHBV-UHFFFAOYSA-N 1 0 335.495 3.379 20 10 EGCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)nc1 ZINC001139673539 1377931705 /nfs/dbraw/zinc/93/17/05/1377931705.db2.gz DMZBVNNWOOREDT-SFHVURJKSA-N 1 0 341.455 3.118 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cnc2cccnc2c1 ZINC001139740428 1377944762 /nfs/dbraw/zinc/94/47/62/1377944762.db2.gz BZUUYPMMUNVLAK-UHFFFAOYSA-N 1 0 348.450 3.098 20 10 EGCDRO Oc1ccc(F)cc1C[NH+]1CCN(c2nccc3ccccc32)CC1 ZINC001140055411 1377996879 /nfs/dbraw/zinc/99/68/79/1377996879.db2.gz WPVLBBCPZYSTKT-UHFFFAOYSA-N 1 0 337.398 3.402 20 10 EGCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2O)N1c1ccccc1 ZINC001140054249 1377997061 /nfs/dbraw/zinc/99/70/61/1377997061.db2.gz NQNCRQZRPBXXKE-QZTJIDSGSA-N 1 0 340.398 3.301 20 10 EGCDRO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1cc(F)ccc1O ZINC001140057311 1377997843 /nfs/dbraw/zinc/99/78/43/1377997843.db2.gz DQPMFSDJPDAJBH-UHFFFAOYSA-N 1 0 336.407 3.020 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140062633 1377998913 /nfs/dbraw/zinc/99/89/13/1377998913.db2.gz BZWILGCDIGAKPT-SFHVURJKSA-N 1 0 336.407 3.117 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140103559 1378008666 /nfs/dbraw/zinc/00/86/66/1378008666.db2.gz PKSPGULALKEVEQ-CYBMUJFWSA-N 1 0 340.261 3.403 20 10 EGCDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140180596 1378027010 /nfs/dbraw/zinc/02/70/10/1378027010.db2.gz ZIYQFQXZBXGLOR-HXUWFJFHSA-N 1 0 330.472 3.376 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCN(c3ncccc3Cl)CC2)c1O ZINC001140184390 1378028434 /nfs/dbraw/zinc/02/84/34/1378028434.db2.gz RMSJVIWAQXPWQO-UHFFFAOYSA-N 1 0 331.847 3.380 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)c(O)cc3C)CC2)cc1 ZINC001140197634 1378030587 /nfs/dbraw/zinc/03/05/87/1378030587.db2.gz SGVVDASPEOCTQI-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CN3CC[C@@](C)(F)[C@H](F)C3)cc2)CC1 ZINC001140302658 1378042763 /nfs/dbraw/zinc/04/27/63/1378042763.db2.gz WZBKEOUNNKQABZ-RTBURBONSA-N 1 0 337.458 3.101 20 10 EGCDRO COc1cc(OC2CC[NH+](Cc3c(O)cccc3Cl)CC2)ccn1 ZINC001140342456 1378050358 /nfs/dbraw/zinc/05/03/58/1378050358.db2.gz JTMRQJSMDXYNQB-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO COc1ccc(CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@H](C)O)cc1 ZINC001140461598 1378066157 /nfs/dbraw/zinc/06/61/57/1378066157.db2.gz NECLEHKCJHZBHW-AWEZNQCLSA-N 1 0 349.858 3.480 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140464262 1378067207 /nfs/dbraw/zinc/06/72/07/1378067207.db2.gz IUQBXCFGHGCQQK-JSGCOSHPSA-N 1 0 338.835 3.097 20 10 EGCDRO CC(=O)N1CCCCC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140466023 1378068190 /nfs/dbraw/zinc/06/81/90/1378068190.db2.gz ZESPKLQVHAAAOG-UHFFFAOYSA-N 1 0 336.863 3.413 20 10 EGCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467678 1378069071 /nfs/dbraw/zinc/06/90/71/1378069071.db2.gz UWTHPJNJLCMOIC-SJORKVTESA-N 1 0 325.836 3.063 20 10 EGCDRO Oc1cc(Cl)ccc1C[NH+]1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001140467400 1378069075 /nfs/dbraw/zinc/06/90/75/1378069075.db2.gz PFHDVGLRIFDLPX-ZIAGYGMSSA-N 1 0 349.887 3.066 20 10 EGCDRO CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N(CC)CC)cc3O)C[C@@H]2C1 ZINC001140857599 1378159160 /nfs/dbraw/zinc/15/91/60/1378159160.db2.gz SPKPGEFNWBZXFC-HDICACEKSA-N 1 0 331.504 3.012 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)Cc2cnn(CC)c21 ZINC001140952071 1378189696 /nfs/dbraw/zinc/18/96/96/1378189696.db2.gz DAUDLZAGPCVGDA-KRWDZBQOSA-N 1 0 329.444 3.053 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c(O)c1 ZINC001140954454 1378191840 /nfs/dbraw/zinc/19/18/40/1378191840.db2.gz SEFCHUXSPRBWKV-CQSZACIVSA-N 1 0 336.233 3.107 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(c3ccccn3)CC2)c(OC)c1 ZINC001141028452 1378211972 /nfs/dbraw/zinc/21/19/72/1378211972.db2.gz PBTRVJMVSQWMTA-UHFFFAOYSA-N 1 0 328.412 3.184 20 10 EGCDRO COc1ccc(CN(C)Cc2c(O)cc(OC)cc2OC)c(OC)c1 ZINC001141029274 1378212302 /nfs/dbraw/zinc/21/23/02/1378212302.db2.gz NCRWTFHHNWCQHO-UHFFFAOYSA-N 1 0 347.411 3.059 20 10 EGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078838 1378234156 /nfs/dbraw/zinc/23/41/56/1378234156.db2.gz LBPYUMGVWGPPFG-QGZVFWFLSA-N 1 0 342.483 3.161 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H](C(=O)OC(C)(C)C)C3)ccc21 ZINC001141142883 1378248697 /nfs/dbraw/zinc/24/86/97/1378248697.db2.gz FEMHVGKLMNSHMM-INIZCTEOSA-N 1 0 346.471 3.069 20 10 EGCDRO C[N@H+](Cc1ccccc1)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159185 1378253062 /nfs/dbraw/zinc/25/30/62/1378253062.db2.gz BJEBFTWKFBUOJZ-UHFFFAOYSA-N 1 0 326.440 3.194 20 10 EGCDRO COc1ccc(Cl)cc1N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160465 1378254378 /nfs/dbraw/zinc/25/43/78/1378254378.db2.gz ZPRFSGYGWASUEO-UHFFFAOYSA-N 1 0 348.830 3.082 20 10 EGCDRO Oc1ccc(O)c(C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)c1 ZINC001141162650 1378255547 /nfs/dbraw/zinc/25/55/47/1378255547.db2.gz YOFWVBXGMVYCFQ-UHFFFAOYSA-N 1 0 338.451 3.196 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001142524771 1378453391 /nfs/dbraw/zinc/45/33/91/1378453391.db2.gz JXFSOLIZKPEFPI-UHFFFAOYSA-N 1 0 328.378 3.069 20 10 EGCDRO COCC[N@H+](Cc1cccc(C(C)(C)C)c1O)C1CCN(C)CC1 ZINC001143110655 1378542406 /nfs/dbraw/zinc/54/24/06/1378542406.db2.gz NDQSXVCECBDZKD-UHFFFAOYSA-N 1 0 334.504 3.232 20 10 EGCDRO CC[N@H+](Cc1c(O)cc(O)cc1O)[C@H](C)Cc1ccc(OC)cc1 ZINC001144499588 1378738389 /nfs/dbraw/zinc/73/83/89/1378738389.db2.gz JCHXCPYQPGIWDW-CYBMUJFWSA-N 1 0 331.412 3.265 20 10 EGCDRO COc1ccc(C2=CC[N@H+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144515699 1378739705 /nfs/dbraw/zinc/73/97/05/1378739705.db2.gz DRSJXOLXQRNMPK-UHFFFAOYSA-N 1 0 327.380 3.101 20 10 EGCDRO CC[NH+]1CCC(C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1 ZINC001146792966 1378920731 /nfs/dbraw/zinc/92/07/31/1378920731.db2.gz RNQNTZYSUZVWEA-LJQANCHMSA-N 1 0 344.499 3.481 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCCC2(C)C)cc1C ZINC001152916831 1379993530 /nfs/dbraw/zinc/99/35/30/1379993530.db2.gz CJBUFBSWFOIKIJ-KRWDZBQOSA-N 1 0 332.488 3.426 20 10 EGCDRO Cc1cnc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(C)n1 ZINC001155630647 1380476254 /nfs/dbraw/zinc/47/62/54/1380476254.db2.gz PXACARDXGBILIV-MTQWCTHYSA-N 1 0 338.499 3.493 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCc3cc(O)c(O)cc3C2)nc1)C1CC1 ZINC001155945654 1380507296 /nfs/dbraw/zinc/50/72/96/1380507296.db2.gz ZWKMFIWEBYEEBB-UHFFFAOYSA-N 1 0 339.439 3.040 20 10 EGCDRO COCCOC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001328091326 1388668841 /nfs/dbraw/zinc/66/88/41/1388668841.db2.gz NQXMDRBXUPKLHT-HOTGVXAUSA-N 1 0 349.471 3.051 20 10 EGCDRO CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157210013 1380810966 /nfs/dbraw/zinc/81/09/66/1380810966.db2.gz WDGYWWASEJGACN-CYBMUJFWSA-N 1 0 333.436 3.089 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H](F)C2)cc1C ZINC001157809152 1381039723 /nfs/dbraw/zinc/03/97/23/1381039723.db2.gz MHEXHRQAEIEGCP-DLBZAZTESA-N 1 0 336.451 3.128 20 10 EGCDRO O=C(c1ccc(F)cc1)c1ccccc1Nc1cnn(C2C[NH2+]C2)c1 ZINC001159438481 1381794366 /nfs/dbraw/zinc/79/43/66/1381794366.db2.gz NEZQUVBQAGPYJA-UHFFFAOYSA-N 1 0 336.370 3.141 20 10 EGCDRO Oc1cc2ccccc2cc1CNc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001160207204 1382033568 /nfs/dbraw/zinc/03/35/68/1382033568.db2.gz UCIBNBRDEAPPHS-UHFFFAOYSA-N 1 0 340.814 3.247 20 10 EGCDRO Cc1ccnnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001160616694 1382154051 /nfs/dbraw/zinc/15/40/51/1382154051.db2.gz PDIMFXAACUIJSS-QZTJIDSGSA-N 1 0 336.395 3.049 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)CC2CC(F)(F)C2)cc1C ZINC001161241612 1382351718 /nfs/dbraw/zinc/35/17/18/1382351718.db2.gz DZCFZJKTRIUJIA-UHFFFAOYSA-N 1 0 340.414 3.035 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(NCCC[NH+]2CCN(C)CC2)cc1 ZINC001161708709 1382486650 /nfs/dbraw/zinc/48/66/50/1382486650.db2.gz SEUHYRZTSUGLGS-UHFFFAOYSA-N 1 0 326.488 3.144 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC001328704185 1388815168 /nfs/dbraw/zinc/81/51/68/1388815168.db2.gz RYRARLMYLRXPGK-UHFFFAOYSA-N 1 0 345.487 3.154 20 10 EGCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N(C)C)cc1 ZINC001167341039 1383603536 /nfs/dbraw/zinc/60/35/36/1383603536.db2.gz DGCKXAPMVHFKPA-HNNXBMFYSA-N 1 0 333.476 3.194 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cncnc3C(C)(C)C)cc2)CC1 ZINC001167437371 1383634014 /nfs/dbraw/zinc/63/40/14/1383634014.db2.gz SKCQPSZJIVSFLM-UHFFFAOYSA-N 1 0 339.487 3.138 20 10 EGCDRO O=C(CNc1ccc2c(c1)[nH]c1cc[nH+]cc12)c1ccc(O)c(O)c1 ZINC001170322688 1384290480 /nfs/dbraw/zinc/29/04/80/1384290480.db2.gz MBGBPBHTQDBVLS-UHFFFAOYSA-N 1 0 333.347 3.422 20 10 EGCDRO CCN1CC[C@@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1=O ZINC001172045196 1384713386 /nfs/dbraw/zinc/71/33/86/1384713386.db2.gz ZWGSDSCASSUWFL-KUHUBIRLSA-N 1 0 330.472 3.233 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC001329037500 1388940134 /nfs/dbraw/zinc/94/01/34/1388940134.db2.gz VFUGXVIROZPGCI-GOSISDBHSA-N 1 0 330.472 3.105 20 10 EGCDRO CC(C)COCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001172463520 1384797964 /nfs/dbraw/zinc/79/79/64/1384797964.db2.gz OZSFTPPAQBBCLN-KRWDZBQOSA-N 1 0 334.504 3.397 20 10 EGCDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172862135 1384867578 /nfs/dbraw/zinc/86/75/78/1384867578.db2.gz XQBMJLIUCDOMCZ-SNVBAGLBSA-N 1 0 337.778 3.294 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)/C=C(/C)C2CC2)cc1C ZINC001317391234 1385110767 /nfs/dbraw/zinc/11/07/67/1385110767.db2.gz XSHACIJZURGTAV-HECSCLNYSA-N 1 0 330.472 3.344 20 10 EGCDRO C[NH+](C)CCn1cc(N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001176449224 1385590478 /nfs/dbraw/zinc/59/04/78/1385590478.db2.gz ILMNHKLDBWXBOM-UHFFFAOYSA-N 1 0 335.455 3.365 20 10 EGCDRO C[C@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001176792002 1385701503 /nfs/dbraw/zinc/70/15/03/1385701503.db2.gz NMZIUXCACSTVPR-CYBMUJFWSA-N 1 0 345.447 3.137 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)C1 ZINC001318565813 1385759577 /nfs/dbraw/zinc/75/95/77/1385759577.db2.gz CSTFTKNXONHMDV-GJYPPUQNSA-N 1 0 333.495 3.492 20 10 EGCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C3CCC3)cc2F)CC1 ZINC001319814704 1386311750 /nfs/dbraw/zinc/31/17/50/1386311750.db2.gz IQRFZZGYWUMSRT-IBGZPJMESA-N 1 0 331.479 3.342 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001321753149 1386975748 /nfs/dbraw/zinc/97/57/48/1386975748.db2.gz VODBBYQUHORUPZ-MOPGFXCFSA-N 1 0 343.515 3.223 20 10 EGCDRO Nc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC001336284907 1389058902 /nfs/dbraw/zinc/05/89/02/1389058902.db2.gz DOJVMCKJFAYKDL-UHFFFAOYSA-N 1 0 343.858 3.270 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CC2(CCO)CCCCC2)cc1F ZINC001329388386 1389090535 /nfs/dbraw/zinc/09/05/35/1389090535.db2.gz BHQSJQLMWXJYQT-UHFFFAOYSA-N 1 0 326.431 3.453 20 10 EGCDRO CN(CC(F)F)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001337042852 1389243223 /nfs/dbraw/zinc/24/32/23/1389243223.db2.gz TXGFVGYHVATAMZ-UHFFFAOYSA-N 1 0 337.458 3.448 20 10 EGCDRO CCC[N@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccccc1O ZINC001331350301 1389713898 /nfs/dbraw/zinc/71/38/98/1389713898.db2.gz NPPNYZYMIZTCQS-MRXNPFEDSA-N 1 0 326.440 3.482 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001331526375 1389783477 /nfs/dbraw/zinc/78/34/77/1389783477.db2.gz WSASBECZBYTYDY-SFHVURJKSA-N 1 0 338.451 3.474 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC(c3ccc(C)cc3)=NO2)c1O ZINC001331578529 1389811167 /nfs/dbraw/zinc/81/11/67/1389811167.db2.gz CSEFSEOHODUZRW-QGZVFWFLSA-N 1 0 340.423 3.300 20 10 EGCDRO CCCN(Cc1cnc(C(=O)OCC)s1)c1ccc(C[NH3+])cc1 ZINC001333719220 1390382587 /nfs/dbraw/zinc/38/25/87/1390382587.db2.gz PBHBOWBGKQHIKT-UHFFFAOYSA-N 1 0 333.457 3.195 20 10 EGCDRO Nc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC001334754838 1390582096 /nfs/dbraw/zinc/58/20/96/1390582096.db2.gz SRRZYMJIIGKLOS-UHFFFAOYSA-N 1 0 342.418 3.194 20 10 EGCDRO Cc1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC001334885606 1390613371 /nfs/dbraw/zinc/61/33/71/1390613371.db2.gz RYTSQRHBVMUQSO-UHFFFAOYSA-N 1 0 348.512 3.315 20 10 EGCDRO C[N@H+](Cc1ccc(N)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001335285864 1390666651 /nfs/dbraw/zinc/66/66/51/1390666651.db2.gz STGLFFQBJZCFFY-QGZVFWFLSA-N 1 0 329.831 3.160 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)cc2)CC1 ZINC001347825584 1391130856 /nfs/dbraw/zinc/13/08/56/1391130856.db2.gz BVYWVCLYSJTIJN-NQIIRXRSSA-N 1 0 344.499 3.303 20 10 EGCDRO CN1CCN(c2ccc(C[N@@H+]3CCCC(F)(F)CC3)cc2F)CC1 ZINC001351629318 1391660355 /nfs/dbraw/zinc/66/03/55/1391660355.db2.gz WRWDBIYRWCLTTB-UHFFFAOYSA-N 1 0 341.421 3.199 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2c(C)cnn2COC)cc1 ZINC001355215359 1392197696 /nfs/dbraw/zinc/19/76/96/1392197696.db2.gz HYSRECIDKVLSNR-UHFFFAOYSA-N 1 0 330.476 3.274 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000840932971 1126111529 /nfs/dbraw/zinc/11/15/29/1126111529.db2.gz ABDPWTXYCUMQAB-GOSISDBHSA-N 1 0 337.467 3.236 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)ccn1 ZINC000181010178 455275918 /nfs/dbraw/zinc/27/59/18/455275918.db2.gz OVGLKCCOKBMEHV-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO Cc1cccc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000190068793 455276955 /nfs/dbraw/zinc/27/69/55/455276955.db2.gz FUJIFISHVGROPG-UHFFFAOYSA-N 1 0 332.444 3.357 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007114473 453033401 /nfs/dbraw/zinc/03/34/01/453033401.db2.gz RKCQADXIGYPNPS-MRXNPFEDSA-N 1 0 325.456 3.062 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245798104 455381127 /nfs/dbraw/zinc/38/11/27/455381127.db2.gz XJZGNDBWEZLPJL-NHYWBVRUSA-N 1 0 326.234 3.156 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000043862439 454081527 /nfs/dbraw/zinc/08/15/27/454081527.db2.gz NKTMNYQWVHDKQL-KRWDZBQOSA-N 1 0 346.519 3.206 20 10 EGCDRO CC(C)C(=O)NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000077441283 454107118 /nfs/dbraw/zinc/10/71/18/454107118.db2.gz MZWOIUJBOJGHDQ-UHFFFAOYSA-N 1 0 326.440 3.282 20 10 EGCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@H](O)COCc1ccccc1 ZINC000119583954 454205837 /nfs/dbraw/zinc/20/58/37/454205837.db2.gz AFLPQECVISXSNE-HNNXBMFYSA-N 1 0 335.831 3.055 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000090885631 454349205 /nfs/dbraw/zinc/34/92/05/454349205.db2.gz GDQVXLCXGAXUKN-OXJNMPFZSA-N 1 0 342.487 3.185 20 10 EGCDRO Cn1cnnc1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000091794828 454473073 /nfs/dbraw/zinc/47/30/73/454473073.db2.gz LYHCKEGRNBUUKC-UHFFFAOYSA-N 1 0 339.487 3.185 20 10 EGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)OCO2 ZINC000091891487 454484148 /nfs/dbraw/zinc/48/41/48/454484148.db2.gz MBQVIYZICUHCSU-UKRRQHHQSA-N 1 0 347.436 3.271 20 10 EGCDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC000092005440 454502623 /nfs/dbraw/zinc/50/26/23/454502623.db2.gz OJHSBSBGGVXQFT-MRXNPFEDSA-N 1 0 339.439 3.255 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000184835017 455456463 /nfs/dbraw/zinc/45/64/63/455456463.db2.gz OSDZXUGVILEPCU-SCLBCKFNSA-N 1 0 332.419 3.493 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)cc1F ZINC000092538379 454583230 /nfs/dbraw/zinc/58/32/30/454583230.db2.gz CVTYJIKJACKWSA-UHFFFAOYSA-N 1 0 335.467 3.115 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(OCCOC)CC2)cc1F ZINC000093339460 454703792 /nfs/dbraw/zinc/70/37/92/454703792.db2.gz QYPRCIPCFRJKRA-UHFFFAOYSA-N 1 0 338.467 3.299 20 10 EGCDRO CCN(C[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1)CC(F)(F)F ZINC000093771114 454734966 /nfs/dbraw/zinc/73/49/66/454734966.db2.gz CISFLDLATBZUPN-CYBMUJFWSA-N 1 0 346.393 3.107 20 10 EGCDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)o1 ZINC000137082139 454768197 /nfs/dbraw/zinc/76/81/97/454768197.db2.gz GBIQSHBFEZDHBK-OAHLLOKOSA-N 1 0 347.411 3.486 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000124836679 454774779 /nfs/dbraw/zinc/77/47/79/454774779.db2.gz BHGBSMVCSZWGQE-HXUWFJFHSA-N 1 0 344.430 3.126 20 10 EGCDRO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769638 454835405 /nfs/dbraw/zinc/83/54/05/454835405.db2.gz NWVJVQJHWIHZLD-HUUCEWRRSA-N 1 0 342.439 3.099 20 10 EGCDRO C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1O)c1ccccc1Cl ZINC000109769342 454836163 /nfs/dbraw/zinc/83/61/63/454836163.db2.gz CHNDSGHTKHGIOJ-ZDUSSCGKSA-N 1 0 332.831 3.355 20 10 EGCDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1O)[N@H+](C)Cc1ccccc1 ZINC000111875717 454877335 /nfs/dbraw/zinc/87/73/35/454877335.db2.gz PGNBLGYJESICEU-INIZCTEOSA-N 1 0 341.455 3.054 20 10 EGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C(C)(C)O1 ZINC000165195033 454896017 /nfs/dbraw/zinc/89/60/17/454896017.db2.gz XAELNYDTJLVDMG-KRWDZBQOSA-N 1 0 336.451 3.098 20 10 EGCDRO COCC[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000167909346 454924773 /nfs/dbraw/zinc/92/47/73/454924773.db2.gz ROADZGUBEOZEPU-BBRMVZONSA-N 1 0 326.868 3.025 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178436670 454955517 /nfs/dbraw/zinc/95/55/17/454955517.db2.gz QIYZEOGTJMFDFV-GOEBONIOSA-N 1 0 338.467 3.110 20 10 EGCDRO CC[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccccc1O ZINC000155243264 454979564 /nfs/dbraw/zinc/97/95/64/454979564.db2.gz LSDPXTHKLTWOMH-SFHVURJKSA-N 1 0 347.480 3.438 20 10 EGCDRO CC(C)[NH2+]C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000179831606 455085904 /nfs/dbraw/zinc/08/59/04/455085904.db2.gz GYVVGGQVJGTDFV-UHFFFAOYSA-N 1 0 327.266 3.117 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCc2nnc[nH]2)cc1 ZINC000119177069 455130278 /nfs/dbraw/zinc/13/02/78/455130278.db2.gz GBCAMZWSRMLDIP-UHFFFAOYSA-N 1 0 335.455 3.164 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOC1 ZINC000130064043 455140853 /nfs/dbraw/zinc/14/08/53/455140853.db2.gz QNWIYANOYOWXSD-RRFJBIMHSA-N 1 0 340.414 3.271 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccccc1O ZINC000157496641 455199785 /nfs/dbraw/zinc/19/97/85/455199785.db2.gz JVCZYFGLIYIFJC-KRWDZBQOSA-N 1 0 333.453 3.427 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000264974148 455298088 /nfs/dbraw/zinc/29/80/88/455298088.db2.gz RSHKKZNCCPNFBF-UHFFFAOYSA-N 1 0 348.830 3.288 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)N2CCOCC2)o1 ZINC000184909663 455470297 /nfs/dbraw/zinc/47/02/97/455470297.db2.gz MSCDSUYEOBFDCU-FUHWJXTLSA-N 1 0 344.455 3.326 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)N2CCOCC2)o1 ZINC000184909844 455470606 /nfs/dbraw/zinc/47/06/06/455470606.db2.gz MGHAOOIMJAOAFF-WMLDXEAASA-N 1 0 348.418 3.157 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000185261919 455530791 /nfs/dbraw/zinc/53/07/91/455530791.db2.gz SBHUTQSDSCRFDE-CYBMUJFWSA-N 1 0 328.412 3.435 20 10 EGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185322832 455539854 /nfs/dbraw/zinc/53/98/54/455539854.db2.gz MLKBJPLRBCRBBW-ZIAGYGMSSA-N 1 0 348.468 3.021 20 10 EGCDRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(Br)cc1O ZINC000185705399 455600410 /nfs/dbraw/zinc/60/04/10/455600410.db2.gz RKSJWKWKAZEEIM-DGCLKSJQSA-N 1 0 344.249 3.001 20 10 EGCDRO C[N@H+](Cc1ccccc1O)[C@@H](CO)c1cccc(Br)c1 ZINC000271452446 455642502 /nfs/dbraw/zinc/64/25/02/455642502.db2.gz UWUQGVBMKIEZHI-HNNXBMFYSA-N 1 0 336.229 3.320 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000268311390 455647435 /nfs/dbraw/zinc/64/74/35/455647435.db2.gz XQRSWBBWYFVSOQ-WBVHZDCISA-N 1 0 347.386 3.415 20 10 EGCDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000271473378 455650378 /nfs/dbraw/zinc/65/03/78/455650378.db2.gz KZXPFRZLCBNACC-BBATYDOGSA-N 1 0 333.359 3.126 20 10 EGCDRO C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000185980178 455667827 /nfs/dbraw/zinc/66/78/27/455667827.db2.gz TVMSHKJVCVKWLR-NWDGAFQWSA-N 1 0 326.412 3.485 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNc2cc(OC)cc(OC)c2)c1 ZINC000186154907 455705375 /nfs/dbraw/zinc/70/53/75/455705375.db2.gz UZWXRDANAGUIEV-CYBMUJFWSA-N 1 0 346.427 3.181 20 10 EGCDRO Oc1cc(F)cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000186158029 455706597 /nfs/dbraw/zinc/70/65/97/455706597.db2.gz DYUXADNWLQXTNP-GOSISDBHSA-N 1 0 331.387 3.418 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000186191153 455712751 /nfs/dbraw/zinc/71/27/51/455712751.db2.gz IGIAACNPWSPPHL-FUHWJXTLSA-N 1 0 338.451 3.400 20 10 EGCDRO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(F)ccc1O ZINC000186199527 455715884 /nfs/dbraw/zinc/71/58/84/455715884.db2.gz YBCRLOKYMUJBQJ-JTQLQIEISA-N 1 0 326.318 3.421 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc2ccccc2c1O ZINC000192910381 455716022 /nfs/dbraw/zinc/71/60/22/455716022.db2.gz PIOYSTOTTNMYME-OAHLLOKOSA-N 1 0 328.456 3.307 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c(O)c1 ZINC000284960469 455768377 /nfs/dbraw/zinc/76/83/77/455768377.db2.gz FKZOVSHZLAJMAG-HOTGVXAUSA-N 1 0 328.460 3.062 20 10 EGCDRO COc1cccc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c1O ZINC000293016051 455771191 /nfs/dbraw/zinc/77/11/91/455771191.db2.gz OJZYKMSNHOEBJH-UHFFFAOYSA-N 1 0 345.414 3.421 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccnn1C ZINC000278168255 455775898 /nfs/dbraw/zinc/77/58/98/455775898.db2.gz CDRKQGHIGDAOOL-ZNMIVQPWSA-N 1 0 346.450 3.024 20 10 EGCDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000293261815 455780438 /nfs/dbraw/zinc/78/04/38/455780438.db2.gz BZGTZROMSBFSTL-LBPRGKRZSA-N 1 0 328.378 3.358 20 10 EGCDRO COCC[C@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293600901 455792305 /nfs/dbraw/zinc/79/23/05/455792305.db2.gz GAUMSKWCUIIYAI-FPOVZHCZSA-N 1 0 343.467 3.443 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000293677684 455794629 /nfs/dbraw/zinc/79/46/29/455794629.db2.gz KEBFSLPLJOPQNB-MRXNPFEDSA-N 1 0 347.480 3.275 20 10 EGCDRO CNC(=O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293674092 455794700 /nfs/dbraw/zinc/79/47/00/455794700.db2.gz JXSGINRQXLLTCK-GOSISDBHSA-N 1 0 326.440 3.182 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000293709610 455794742 /nfs/dbraw/zinc/79/47/42/455794742.db2.gz MQRRZSFSFMBRTH-KRWDZBQOSA-N 1 0 339.483 3.440 20 10 EGCDRO CCS(=O)(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293683371 455795161 /nfs/dbraw/zinc/79/51/61/455795161.db2.gz KMNRRTMPWZCWEQ-GOSISDBHSA-N 1 0 347.480 3.090 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1N(C)C ZINC000293793978 455797447 /nfs/dbraw/zinc/79/74/47/455797447.db2.gz MSBMVQMDLGLELB-KRWDZBQOSA-N 1 0 339.487 3.436 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c(O)c1 ZINC000293787617 455797571 /nfs/dbraw/zinc/79/75/71/455797571.db2.gz QLBBSERQZHGUPB-GOEBONIOSA-N 1 0 333.403 3.239 20 10 EGCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(N(C)C)c(C)c1 ZINC000294187896 455807974 /nfs/dbraw/zinc/80/79/74/455807974.db2.gz QUAGRNPSBAOZHP-UHFFFAOYSA-N 1 0 345.512 3.261 20 10 EGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294771476 455826364 /nfs/dbraw/zinc/82/63/64/455826364.db2.gz KGYBOFVXKSYBKC-KBPBESRZSA-N 1 0 334.460 3.075 20 10 EGCDRO COc1c(O)c(C[NH2+]C2(c3nccs3)CCCC2)ccc1[N+](=O)[O-] ZINC000278537545 455839309 /nfs/dbraw/zinc/83/93/09/455839309.db2.gz WNXYADCXLCAIRS-UHFFFAOYSA-N 1 0 349.412 3.325 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cc(Cl)ccc1O ZINC000278564778 455840077 /nfs/dbraw/zinc/84/00/77/455840077.db2.gz WXCSFDUTUSYEIM-OCCSQVGLSA-N 1 0 334.851 3.099 20 10 EGCDRO CC[C@@H](C)N(CC(=O)OC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295149888 455841277 /nfs/dbraw/zinc/84/12/77/455841277.db2.gz FUHSSATZFPGGMC-MRXNPFEDSA-N 1 0 348.487 3.075 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1O ZINC000278863411 455851576 /nfs/dbraw/zinc/85/15/76/455851576.db2.gz YBJASKOTSHSLML-HNNXBMFYSA-N 1 0 339.794 3.407 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000279092980 455858205 /nfs/dbraw/zinc/85/82/05/455858205.db2.gz NOEQAEXQDYSKIZ-ZDUSSCGKSA-N 1 0 339.439 3.475 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(OCc3ccccc3)CC1)OCO2 ZINC000194587833 455862411 /nfs/dbraw/zinc/86/24/11/455862411.db2.gz YPRPPHASWFJZKW-UHFFFAOYSA-N 1 0 341.407 3.302 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000279921256 455876547 /nfs/dbraw/zinc/87/65/47/455876547.db2.gz AFHQJLIMTAGINN-INIZCTEOSA-N 1 0 348.393 3.450 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(C)cc1O ZINC000279923783 455878023 /nfs/dbraw/zinc/87/80/23/455878023.db2.gz AJISWWBKMKMVIP-WBVHZDCISA-N 1 0 328.460 3.144 20 10 EGCDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187230967 455884704 /nfs/dbraw/zinc/88/47/04/455884704.db2.gz HIKVDNAIJINYGZ-OPQQBVKSSA-N 1 0 348.306 3.226 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccc(C)cc1O ZINC000280101396 455892068 /nfs/dbraw/zinc/89/20/68/455892068.db2.gz NBZWEGWVZSYJTL-IEBWSBKVSA-N 1 0 345.439 3.492 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000280151480 455903242 /nfs/dbraw/zinc/90/32/42/455903242.db2.gz QFFGVSWEWSZRCL-NSHDSACASA-N 1 0 325.455 3.098 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000272318050 455911748 /nfs/dbraw/zinc/91/17/48/455911748.db2.gz SURQGIQZZANEMH-RDJZCZTQSA-N 1 0 325.456 3.212 20 10 EGCDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296624444 455992679 /nfs/dbraw/zinc/99/26/79/455992679.db2.gz ZLNOTOHPTPIFCE-IRXDYDNUSA-N 1 0 337.423 3.276 20 10 EGCDRO C[S@](=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000280683822 456031289 /nfs/dbraw/zinc/03/12/89/456031289.db2.gz QYNHFECGMPCCJE-QHCPKHFHSA-N 1 0 329.465 3.450 20 10 EGCDRO COc1cc(O)c(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC000280849964 456065815 /nfs/dbraw/zinc/06/58/15/456065815.db2.gz ZLVLUGPFBAVCJK-QGZVFWFLSA-N 1 0 348.487 3.296 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccccc1O ZINC000287518117 456071095 /nfs/dbraw/zinc/07/10/95/456071095.db2.gz ZOBIVNZYCABVDL-HUUCEWRRSA-N 1 0 328.412 3.053 20 10 EGCDRO CCc1noc(C2CCC([NH2+]Cc3cccc(OC)c3O)CC2)n1 ZINC000289184828 456117912 /nfs/dbraw/zinc/11/79/12/456117912.db2.gz AVRPYICFEZVKKZ-UHFFFAOYSA-N 1 0 331.416 3.162 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)c1O ZINC000289548759 456129407 /nfs/dbraw/zinc/12/94/07/456129407.db2.gz XMCAOKOXHJJTNA-UHFFFAOYSA-N 1 0 337.423 3.400 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000289580782 456130732 /nfs/dbraw/zinc/13/07/32/456130732.db2.gz JZPPDVPNUGOKEH-UHFFFAOYSA-N 1 0 339.395 3.125 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c(C)n1-c1ccc(Cl)cc1 ZINC000272990046 456136685 /nfs/dbraw/zinc/13/66/85/456136685.db2.gz FLMQTHFGDDONRG-CQSZACIVSA-N 1 0 331.847 3.087 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2c(C)nc3sccn32)c1O ZINC000271151536 456142327 /nfs/dbraw/zinc/14/23/27/456142327.db2.gz LDNUMPPZIMQICK-UHFFFAOYSA-N 1 0 331.441 3.441 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCCOC3)cc2)CC1 ZINC000297484041 456232882 /nfs/dbraw/zinc/23/28/82/456232882.db2.gz LZLQFAGDXBVXSK-SFHVURJKSA-N 1 0 332.488 3.160 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c(O)c1C ZINC000273545469 456237140 /nfs/dbraw/zinc/23/71/40/456237140.db2.gz ZHCSZOKZVFHSDD-LPHOPBHVSA-N 1 0 338.451 3.461 20 10 EGCDRO C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(F)cc1O ZINC000273536969 456237363 /nfs/dbraw/zinc/23/73/63/456237363.db2.gz XOJXOZVMXSUQTC-CJNGLKHVSA-N 1 0 344.434 3.240 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c(O)c1C ZINC000273576939 456238788 /nfs/dbraw/zinc/23/87/88/456238788.db2.gz MAZYAZKNBRXAOO-HNNXBMFYSA-N 1 0 347.480 3.404 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(CN(C)Cc2nncn2C)cc1 ZINC000290164444 456256620 /nfs/dbraw/zinc/25/66/20/456256620.db2.gz MCZYBFFICKROBP-UHFFFAOYSA-N 1 0 349.482 3.474 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000290881856 456456075 /nfs/dbraw/zinc/45/60/75/456456075.db2.gz KVZUBRLTOTUGKW-CYBMUJFWSA-N 1 0 342.226 3.351 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000282394137 456499122 /nfs/dbraw/zinc/49/91/22/456499122.db2.gz DXBRIDVNSAZJJE-QGZVFWFLSA-N 1 0 347.503 3.436 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c(O)c1 ZINC000291327899 456607032 /nfs/dbraw/zinc/60/70/32/456607032.db2.gz UHXYECWIJYRIAD-OAQYLSRUSA-N 1 0 341.451 3.317 20 10 EGCDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000299477021 456704903 /nfs/dbraw/zinc/70/49/03/456704903.db2.gz FWLYDCAIRQLALJ-UHFFFAOYSA-N 1 0 341.455 3.233 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000374994931 457748088 /nfs/dbraw/zinc/74/80/88/457748088.db2.gz BNZLLGAWNGTRNF-STQMWFEESA-N 1 0 340.261 3.322 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cn(C)nc2-c2cccs2)c1O ZINC000368590499 458047650 /nfs/dbraw/zinc/04/76/50/458047650.db2.gz DECKUIDIZZNEHD-UHFFFAOYSA-N 1 0 329.425 3.153 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1F ZINC000376767708 458386988 /nfs/dbraw/zinc/38/69/88/458386988.db2.gz JULRLWZDUXLZAM-UHFFFAOYSA-N 1 0 330.451 3.495 20 10 EGCDRO CCOCCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000376804000 458393177 /nfs/dbraw/zinc/39/31/77/458393177.db2.gz INFLWXXYQMHJPH-UHFFFAOYSA-N 1 0 332.488 3.460 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3cccc(C)c3)CC2)cc1 ZINC000373138463 458408387 /nfs/dbraw/zinc/40/83/87/458408387.db2.gz IQOAVQGHJZUZCC-NRFANRHFSA-N 1 0 340.467 3.296 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000472219725 458774237 /nfs/dbraw/zinc/77/42/37/458774237.db2.gz HLAIIXOHAJKERA-GOEBONIOSA-N 1 0 342.487 3.111 20 10 EGCDRO CCN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccc(Cl)c1 ZINC000592494365 459613548 /nfs/dbraw/zinc/61/35/48/459613548.db2.gz RLLNQSVYIILOPB-GFCCVEGCSA-N 1 0 332.835 3.039 20 10 EGCDRO CC[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(Br)ccc1O ZINC000527976872 459786912 /nfs/dbraw/zinc/78/69/12/459786912.db2.gz DHOWMWSFIRGWOO-VROQLPPWSA-N 1 0 326.234 3.374 20 10 EGCDRO COc1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1C ZINC000288513221 547403792 /nfs/dbraw/zinc/40/37/92/547403792.db2.gz TXPJATFGUMRPFP-UHFFFAOYSA-N 1 0 338.249 3.143 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCN(C)C[C@H]3C(C)C)c2c1 ZINC000738286433 574562735 /nfs/dbraw/zinc/56/27/35/574562735.db2.gz WSIOGVRQYNUKBH-IBGZPJMESA-N 1 0 328.456 3.326 20 10 EGCDRO C[C@@H](COc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000728781855 574770772 /nfs/dbraw/zinc/77/07/72/574770772.db2.gz DMPMVYZALDYSFA-INIZCTEOSA-N 1 0 344.430 3.219 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000729617213 574873940 /nfs/dbraw/zinc/87/39/40/574873940.db2.gz HRXMCACQHROJEZ-MRXNPFEDSA-N 1 0 346.519 3.157 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@@H](c3ccccc3)C1)OCO2 ZINC000729853162 574891171 /nfs/dbraw/zinc/89/11/71/574891171.db2.gz ZKUBMPLPTQUTNF-LJQANCHMSA-N 1 0 327.380 3.085 20 10 EGCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731016489 575044964 /nfs/dbraw/zinc/04/49/64/575044964.db2.gz UDLUUCXHRAOZIE-HXUWFJFHSA-N 1 0 343.515 3.414 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccccc1C ZINC000731026110 575045460 /nfs/dbraw/zinc/04/54/60/575045460.db2.gz YVVCABWKGUBFQA-SFHVURJKSA-N 1 0 339.483 3.474 20 10 EGCDRO C[N@@H+]1CCC[C@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000731041571 575045966 /nfs/dbraw/zinc/04/59/66/575045966.db2.gz HFQZEWYRDVUDJN-QGZVFWFLSA-N 1 0 346.475 3.017 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000731281930 575063853 /nfs/dbraw/zinc/06/38/53/575063853.db2.gz FEMWGRNTHDGIMZ-MRXNPFEDSA-N 1 0 333.476 3.188 20 10 EGCDRO CC[NH+]1CCN(c2ccc(NC(=O)C3=CC(=O)CS3)c(C)c2)CC1 ZINC000731866690 575216282 /nfs/dbraw/zinc/21/62/82/575216282.db2.gz VQTKDHMXFWANPZ-UHFFFAOYSA-N 1 0 345.468 3.156 20 10 EGCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2O)C1 ZINC000732457816 575270775 /nfs/dbraw/zinc/27/07/75/575270775.db2.gz ALUZRZQBVUSGOP-OAHLLOKOSA-N 1 0 333.476 3.092 20 10 EGCDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732817960 575289653 /nfs/dbraw/zinc/28/96/53/575289653.db2.gz KQVMJKPYWPYORO-GOSISDBHSA-N 1 0 335.448 3.082 20 10 EGCDRO COc1ccccc1N1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000733326355 575327909 /nfs/dbraw/zinc/32/79/09/575327909.db2.gz YJBAVZAASAYCKR-UHFFFAOYSA-N 1 0 326.440 3.468 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000733334547 575328590 /nfs/dbraw/zinc/32/85/90/575328590.db2.gz LVHINMFYANXTTJ-AWEZNQCLSA-N 1 0 337.876 3.256 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOc3c(OC)cccc32)c1 ZINC000733332357 575329125 /nfs/dbraw/zinc/32/91/25/575329125.db2.gz UIXIABNYUVZCOX-MRXNPFEDSA-N 1 0 329.396 3.413 20 10 EGCDRO OC[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccc(F)cc1 ZINC000734850951 575560881 /nfs/dbraw/zinc/56/08/81/575560881.db2.gz SOQGTHDKOXIJGC-AWEZNQCLSA-N 1 0 340.192 3.117 20 10 EGCDRO Cc1ccc(F)c(N2CCC[C@@H]([N@H+](C)Cc3ccccc3O)C2=O)c1 ZINC000735670813 575697441 /nfs/dbraw/zinc/69/74/41/575697441.db2.gz UHDCUMICBISUKE-QGZVFWFLSA-N 1 0 342.414 3.467 20 10 EGCDRO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Br)ccc1O ZINC000756629575 576160022 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C[C@](CO)([NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000691430871 1298133767 /nfs/dbraw/zinc/13/37/67/1298133767.db2.gz UGCGHVAFVATFKZ-MRXNPFEDSA-N 1 0 336.229 3.152 20 10 EGCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(Br)cc4O)[C@H]1[C@H]3C2 ZINC000691677321 1298136309 /nfs/dbraw/zinc/13/63/09/1298136309.db2.gz NASZYYPSMDRZJF-GSJWJAIFSA-N 1 0 338.245 3.010 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)N(C)C1CC1 ZINC000792975789 1309274183 /nfs/dbraw/zinc/27/41/83/1309274183.db2.gz DWERQMISQMRVAP-GFCCVEGCSA-N 1 0 329.410 3.344 20 10 EGCDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000043862722 1291465506 /nfs/dbraw/zinc/46/55/06/1291465506.db2.gz PLGFUIPEKICBFU-KRWDZBQOSA-N 1 0 346.519 3.064 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(OCCO)c(OC)c2)cc1C ZINC000067718461 1292170472 /nfs/dbraw/zinc/17/04/72/1292170472.db2.gz KGQIYGGXBYLRGD-OAHLLOKOSA-N 1 0 345.439 3.234 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1)C1CCCCC1 ZINC000827820748 1292382227 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COc1cccc([C@@H](C[NH2+]Cc2c(O)cccc2Cl)N(C)C)c1 ZINC000113311368 1293146816 /nfs/dbraw/zinc/14/68/16/1293146816.db2.gz HBMPRLMWNROEEX-QGZVFWFLSA-N 1 0 334.847 3.447 20 10 EGCDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834855927 1293158023 /nfs/dbraw/zinc/15/80/23/1293158023.db2.gz IBWGISUYDGGQAU-KHYOSLBOSA-N 1 0 338.467 3.374 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000834898215 1293169117 /nfs/dbraw/zinc/16/91/17/1293169117.db2.gz KJNINFQCBJFCRM-KNBMTAEXSA-N 1 0 342.487 3.447 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000834898594 1293169394 /nfs/dbraw/zinc/16/93/94/1293169394.db2.gz MOIORQGZUAXONF-IMFGXOCKSA-N 1 0 342.487 3.447 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc(C)cc1O ZINC000834910213 1293174075 /nfs/dbraw/zinc/17/40/75/1293174075.db2.gz CLUSBGPKUZKNDH-HFTRVMKXSA-N 1 0 329.444 3.395 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c(O)c1C ZINC000834910582 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QRGJXXIDLNYKAZ-SFHVURJKSA-N 1 0 339.483 3.310 20 10 EGCDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC000128909743 1293607387 /nfs/dbraw/zinc/60/73/87/1293607387.db2.gz GVKJUJZSRLDPED-NSHDSACASA-N 1 0 348.790 3.035 20 10 EGCDRO C[C@@H]1CCC[C@](CNC(=O)N(C)Cc2ccccc2O)([NH+](C)C)C1 ZINC000131780171 1293700986 /nfs/dbraw/zinc/70/09/86/1293700986.db2.gz DYBPULITEGUNEJ-BEFAXECRSA-N 1 0 333.476 3.044 20 10 EGCDRO CC[C@]1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCC[NH2+]1 ZINC000134597086 1293777146 /nfs/dbraw/zinc/77/71/46/1293777146.db2.gz IJPWJWJXWGMNIC-HXUWFJFHSA-N 1 0 329.488 3.071 20 10 EGCDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000151204216 1293912845 /nfs/dbraw/zinc/91/28/45/1293912845.db2.gz GYEWEXSYEWTKBM-LJQANCHMSA-N 1 0 345.531 3.440 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000152878477 1293988520 /nfs/dbraw/zinc/98/85/20/1293988520.db2.gz PKTJZMZYSDKLPF-VQIMIIECSA-N 1 0 328.456 3.152 20 10 EGCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164231055 1294345392 /nfs/dbraw/zinc/34/53/92/1294345392.db2.gz SIIRQBAOSTXJQT-CVEARBPZSA-N 1 0 348.487 3.226 20 10 EGCDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000179439027 1294795695 /nfs/dbraw/zinc/79/56/95/1294795695.db2.gz QSKIQRSDSMXVTR-GOSISDBHSA-N 1 0 342.483 3.009 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179738893 1294820660 /nfs/dbraw/zinc/82/06/60/1294820660.db2.gz HIPQOAVRRZSUNV-LBPRGKRZSA-N 1 0 340.851 3.392 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(c2ccccc2)C(C)C)c1 ZINC000182337868 1295036654 /nfs/dbraw/zinc/03/66/54/1295036654.db2.gz IFLAEMIAUJKTMV-OAHLLOKOSA-N 1 0 342.439 3.493 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(=O)oc3cc(O)ccc23)c1 ZINC000182397001 1295042726 /nfs/dbraw/zinc/04/27/26/1295042726.db2.gz JEDFDCLVRLMORB-NSHDSACASA-N 1 0 341.363 3.064 20 10 EGCDRO C[C@H]([NH2+]CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC000183402967 1295117873 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CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000188582511 1295466523 /nfs/dbraw/zinc/46/65/23/1295466523.db2.gz RKOCPMARSIFIGO-FQEVSTJZSA-N 1 0 343.423 3.284 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)cc1 ZINC000192452470 1295763887 /nfs/dbraw/zinc/76/38/87/1295763887.db2.gz YRUMSRPKBVAINQ-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000248531752 1296418222 /nfs/dbraw/zinc/41/82/22/1296418222.db2.gz YBXKXJZZBCYSKH-JYJNAYRXSA-N 1 0 332.488 3.031 20 10 EGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccccc3F)SC2=S)CC1 ZINC000255263551 1296511753 /nfs/dbraw/zinc/51/17/53/1296511753.db2.gz ILPWYCOOPRJQSO-GXDHUFHOSA-N 1 0 336.457 3.121 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000872138720 1296764374 /nfs/dbraw/zinc/76/43/74/1296764374.db2.gz XXCGDLQHFKZCJO-PJSUUKDQSA-N 1 0 345.439 3.491 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000311749057 1297110691 /nfs/dbraw/zinc/11/06/91/1297110691.db2.gz ILEOIMFRMHRVHV-IEBWSBKVSA-N 1 0 340.467 3.252 20 10 EGCDRO COc1ccc(C[NH2+]CCCOC2CCCC2)cc1Cn1cccn1 ZINC000873031823 1297235862 /nfs/dbraw/zinc/23/58/62/1297235862.db2.gz ZQZWKHZCWXIRDV-UHFFFAOYSA-N 1 0 343.471 3.379 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000873052021 1297248429 /nfs/dbraw/zinc/24/84/29/1297248429.db2.gz RQEOHOQFCOCDCW-CQSZACIVSA-N 1 0 344.377 3.037 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C1CCOCC1 ZINC000873067947 1297258058 /nfs/dbraw/zinc/25/80/58/1297258058.db2.gz WOVCUOHXIHBGEL-LJQANCHMSA-N 1 0 343.471 3.235 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1Cn1cccn1 ZINC000873105799 1297275305 /nfs/dbraw/zinc/27/53/05/1297275305.db2.gz BTPPCTSGLUOSKH-GFCCVEGCSA-N 1 0 327.350 3.371 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1Cn1cccn1 ZINC000873105800 1297275370 /nfs/dbraw/zinc/27/53/70/1297275370.db2.gz BTPPCTSGLUOSKH-LBPRGKRZSA-N 1 0 327.350 3.371 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccn2)cc1Cn1cccn1 ZINC000873132797 1297289531 /nfs/dbraw/zinc/28/95/31/1297289531.db2.gz GNTYNBMPSIQFFJ-INIZCTEOSA-N 1 0 336.439 3.056 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)cc(F)c1[O-] ZINC000873239697 1297382482 /nfs/dbraw/zinc/38/24/82/1297382482.db2.gz BHTBWRSITXGKCO-CKYFFXLPSA-N 1 0 345.256 3.462 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Br)cc(Cl)c1[O-] ZINC000873256172 1297393252 /nfs/dbraw/zinc/39/32/52/1297393252.db2.gz KRPIZDBHEPKMCT-NRPADANISA-N 1 0 333.657 3.196 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000378909720 1297528145 /nfs/dbraw/zinc/52/81/45/1297528145.db2.gz HSXJLBMQGQSBTM-KRWDZBQOSA-N 1 0 345.487 3.386 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000382433107 1297559013 /nfs/dbraw/zinc/55/90/13/1297559013.db2.gz SLAKERBTMZYISY-WFASDCNBSA-N 1 0 338.423 3.314 20 10 EGCDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc(N)cc2)CCC1 ZINC000386868902 1297594859 /nfs/dbraw/zinc/59/48/59/1297594859.db2.gz KNOADBRAJIJMMG-UHFFFAOYSA-N 1 0 338.455 3.445 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686278603 1298116225 /nfs/dbraw/zinc/11/62/25/1298116225.db2.gz FRWLIEVKUASDGD-LLVKDONJSA-N 1 0 340.851 3.391 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccncc2Br)c1 ZINC000686562684 1298117356 /nfs/dbraw/zinc/11/73/56/1298117356.db2.gz UUGKRTULEHJFSS-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(COCc2ccccc2)OC)c1 ZINC000702805042 1298197929 /nfs/dbraw/zinc/19/79/29/1298197929.db2.gz QHPWLTIJZKALJI-FQEVSTJZSA-N 1 0 345.439 3.112 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000715131686 1298278206 /nfs/dbraw/zinc/27/82/06/1298278206.db2.gz IVSLGUBKHIQKBN-SAZUREKKSA-N 1 0 334.460 3.348 20 10 EGCDRO Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1ccccc1O ZINC000725851640 1298375582 /nfs/dbraw/zinc/37/55/82/1298375582.db2.gz VHJPANCLVHMEQY-UHFFFAOYSA-N 1 0 349.228 3.191 20 10 EGCDRO COc1ccc(C[NH2+]CC(=O)Nc2cccc3cccnc32)cc1C ZINC000725851886 1298376724 /nfs/dbraw/zinc/37/67/24/1298376724.db2.gz ZQGZHCNGFDMGAL-UHFFFAOYSA-N 1 0 335.407 3.280 20 10 EGCDRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC000875573113 1298394597 /nfs/dbraw/zinc/39/45/97/1298394597.db2.gz ANMCFTXYWSHQBP-GOEBONIOSA-N 1 0 345.443 3.222 20 10 EGCDRO CCC[N@H+](CC)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000746770252 1298658722 /nfs/dbraw/zinc/65/87/22/1298658722.db2.gz LGIIPADUQISWGF-UHFFFAOYSA-N 1 0 346.519 3.159 20 10 EGCDRO Cc1cc(C[NH3+])oc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000876504191 1298796872 /nfs/dbraw/zinc/79/68/72/1298796872.db2.gz WBSYRLPUKBIQRF-UHFFFAOYSA-N 1 0 341.455 3.309 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1F ZINC000876536705 1298812941 /nfs/dbraw/zinc/81/29/41/1298812941.db2.gz RRDYOAQJJWVZES-UHFFFAOYSA-N 1 0 328.431 3.419 20 10 EGCDRO CO[C@@H](C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)C1CCOCC1 ZINC000876585085 1298848539 /nfs/dbraw/zinc/84/85/39/1298848539.db2.gz YSDJJTHYHVKBCB-FQEVSTJZSA-N 1 0 334.504 3.405 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c(O)c1 ZINC000876623714 1298876777 /nfs/dbraw/zinc/87/67/77/1298876777.db2.gz RIMFBXLKTUSRRV-UHFFFAOYSA-N 1 0 330.453 3.110 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccco4)C3)cc2)CC1 ZINC000876724014 1298939185 /nfs/dbraw/zinc/93/91/85/1298939185.db2.gz KXNNOQVBRRMZAP-KRWDZBQOSA-N 1 0 326.440 3.230 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000876812532 1299008761 /nfs/dbraw/zinc/00/87/61/1299008761.db2.gz MKJGRDKCZAWVLW-PXNSSMCTSA-N 1 0 327.424 3.025 20 10 EGCDRO Cc1ccc(CNc2ccc(C[NH+]3CCN(C)CC3)cc2)c(O)c1 ZINC000876819095 1299012966 /nfs/dbraw/zinc/01/29/66/1299012966.db2.gz IKSYATQNYWFLCW-UHFFFAOYSA-N 1 0 325.456 3.060 20 10 EGCDRO C[C@@H](COc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876975348 1299098225 /nfs/dbraw/zinc/09/82/25/1299098225.db2.gz DKKXSAAWTQFBDV-KRWDZBQOSA-N 1 0 340.467 3.205 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c(O)c1 ZINC000877007351 1299111851 /nfs/dbraw/zinc/11/18/51/1299111851.db2.gz MRHYSEAWWUPJMU-INIZCTEOSA-N 1 0 325.330 3.240 20 10 EGCDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CO2 ZINC000877099098 1299156367 /nfs/dbraw/zinc/15/63/67/1299156367.db2.gz HTEVHPBWHCTCEG-HXUWFJFHSA-N 1 0 338.451 3.179 20 10 EGCDRO C[C@@H](C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)c1nccs1 ZINC000877316280 1299246507 /nfs/dbraw/zinc/24/65/07/1299246507.db2.gz RFNMSZFGSUOQLD-HNNXBMFYSA-N 1 0 345.512 3.340 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccccn4)C3)cc2)CC1 ZINC000877501245 1299349577 /nfs/dbraw/zinc/34/95/77/1299349577.db2.gz NLFFJXSSEWSUQX-SFHVURJKSA-N 1 0 337.467 3.032 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)c(O)c1 ZINC000877501679 1299353400 /nfs/dbraw/zinc/35/34/00/1299353400.db2.gz RSFQBGGTEBTUKO-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000877537603 1299378724 /nfs/dbraw/zinc/37/87/24/1299378724.db2.gz NDMFLCGKOILGGP-FQEVSTJZSA-N 1 0 329.415 3.267 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](c4cccnc4)C3)cc2)CC1 ZINC000877603941 1299425054 /nfs/dbraw/zinc/42/50/54/1299425054.db2.gz FWEXUEQSFVQVDN-IBGZPJMESA-N 1 0 337.467 3.032 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1O ZINC000877756462 1299533070 /nfs/dbraw/zinc/53/30/70/1299533070.db2.gz JSELGCAXXXBILT-WWMYMODYSA-N 1 0 340.467 3.332 20 10 EGCDRO Cc1ccc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c(O)c1O ZINC000751538641 1299565083 /nfs/dbraw/zinc/56/50/83/1299565083.db2.gz TZPSPNLCHWSYOS-CQSZACIVSA-N 1 0 342.439 3.265 20 10 EGCDRO C[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1)c1nccs1 ZINC000753593098 1299984460 /nfs/dbraw/zinc/98/44/60/1299984460.db2.gz ARTXFRQACVULGV-CQSZACIVSA-N 1 0 349.475 3.354 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1O ZINC000754730484 1300202733 /nfs/dbraw/zinc/20/27/33/1300202733.db2.gz QCMBZRPKEUAATQ-IBGZPJMESA-N 1 0 327.424 3.455 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)c2c1c(F)ccc2O ZINC000756398661 1300484572 /nfs/dbraw/zinc/48/45/72/1300484572.db2.gz XNKFEBCRRSPJQF-XJKCOSOUSA-N 1 0 331.387 3.109 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1cc(F)ccc1O ZINC000756398316 1300484602 /nfs/dbraw/zinc/48/46/02/1300484602.db2.gz UXWXWEJUSWCIHC-MRXNPFEDSA-N 1 0 343.446 3.004 20 10 EGCDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Br)ccc1O ZINC000756431705 1300490204 /nfs/dbraw/zinc/49/02/04/1300490204.db2.gz DJDGALWXNNKFOX-IINYFYTJSA-N 1 0 327.266 3.146 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)c2c1c(F)ccc2O ZINC000756545071 1300518895 /nfs/dbraw/zinc/51/88/95/1300518895.db2.gz XWHQYZQNQYXITQ-GOEBONIOSA-N 1 0 348.462 3.314 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756553934 1300520781 /nfs/dbraw/zinc/52/07/81/1300520781.db2.gz NIAGRWZFWKUULT-QWRGUYRKSA-N 1 0 345.256 3.286 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000756587768 1300526671 /nfs/dbraw/zinc/52/66/71/1300526671.db2.gz CJNNCVKMAQFMHO-GUYCJALGSA-N 1 0 336.476 3.196 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)c2c1c(F)ccc2O ZINC000756648869 1300540005 /nfs/dbraw/zinc/54/00/05/1300540005.db2.gz LQWBPFURFKJPHN-MFKMUULPSA-N 1 0 336.407 3.289 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)c2c1c(F)ccc2O ZINC000756682482 1300547605 /nfs/dbraw/zinc/54/76/05/1300547605.db2.gz DMTNKCOMGHVEPL-XHDPSFHLSA-N 1 0 328.387 3.011 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000756765653 1300562384 /nfs/dbraw/zinc/56/23/84/1300562384.db2.gz QJDUONTWJJMRMC-GXTWGEPZSA-N 1 0 325.836 3.424 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000879649144 1300648785 /nfs/dbraw/zinc/64/87/85/1300648785.db2.gz MTZXFFYKMFRJNJ-CKEIUWERSA-N 1 0 340.423 3.071 20 10 EGCDRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648787 1300649516 /nfs/dbraw/zinc/64/95/16/1300649516.db2.gz DULFPNIYSOTDOZ-QLFBSQMISA-N 1 0 342.439 3.317 20 10 EGCDRO CC(C)OCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000757687477 1300710786 /nfs/dbraw/zinc/71/07/86/1300710786.db2.gz PXNDZPYRSBUMLM-AWEZNQCLSA-N 1 0 326.868 3.252 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C2CC(F)(F)C2)ccc1N1CCCCC1 ZINC000758596872 1300918907 /nfs/dbraw/zinc/91/89/07/1300918907.db2.gz IJTYJUWHJJMHQM-UHFFFAOYSA-N 1 0 325.359 3.472 20 10 EGCDRO Cc1[nH+]ccc(NCc2ccc(N3CCC(CO)CC3)cc2)c1Cl ZINC000759065547 1301007415 /nfs/dbraw/zinc/00/74/15/1301007415.db2.gz PIDUJHATQYSRKT-UHFFFAOYSA-N 1 0 345.874 3.286 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c1O ZINC000761194312 1301418635 /nfs/dbraw/zinc/41/86/35/1301418635.db2.gz YHIVEONXQJEQAW-LLVKDONJSA-N 1 0 337.807 3.125 20 10 EGCDRO COc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000761221302 1301423475 /nfs/dbraw/zinc/42/34/75/1301423475.db2.gz DMTRHBMGCPPMFN-UHFFFAOYSA-N 1 0 344.455 3.281 20 10 EGCDRO CCc1nn(C)c(CC)c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221310 1301423546 /nfs/dbraw/zinc/42/35/46/1301423546.db2.gz DONRKAIXPQLMCM-UHFFFAOYSA-N 1 0 344.503 3.122 20 10 EGCDRO OC[C@H](CC(F)F)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000763522166 1301919269 /nfs/dbraw/zinc/91/92/69/1301919269.db2.gz RKIANTZRFMDTKR-HNNXBMFYSA-N 1 0 337.366 3.077 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NC)cc2)cc1 ZINC000764855883 1302152220 /nfs/dbraw/zinc/15/22/20/1302152220.db2.gz FHSMMRAYOYKUNB-HNNXBMFYSA-N 1 0 325.456 3.353 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000764903651 1302162394 /nfs/dbraw/zinc/16/23/94/1302162394.db2.gz WMYHSAWSIOZCCF-INIZCTEOSA-N 1 0 348.454 3.113 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccs1 ZINC000765246813 1302226518 /nfs/dbraw/zinc/22/65/18/1302226518.db2.gz WVCFMWAGUNHTBZ-GDBMZVCRSA-N 1 0 343.496 3.301 20 10 EGCDRO C[C@H]([NH2+]CC1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765530881 1302280738 /nfs/dbraw/zinc/28/07/38/1302280738.db2.gz XGSIXILUKRAUQB-AWEZNQCLSA-N 1 0 338.879 3.254 20 10 EGCDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccccc3O)CC2)cc1 ZINC000765625858 1302291710 /nfs/dbraw/zinc/29/17/10/1302291710.db2.gz IRVGKQBXGGDBBS-UHFFFAOYSA-N 1 0 327.384 3.059 20 10 EGCDRO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765765395 1302320397 /nfs/dbraw/zinc/32/03/97/1302320397.db2.gz CROXVRPEIZKFIW-JKSUJKDBSA-N 1 0 337.483 3.043 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN[C@@H]3CCCc4scnc43)cc2)CC1 ZINC000883290763 1302368954 /nfs/dbraw/zinc/36/89/54/1302368954.db2.gz GCXRUWGXKOOBSE-QGZVFWFLSA-N 1 0 342.512 3.062 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766489280 1302461932 /nfs/dbraw/zinc/46/19/32/1302461932.db2.gz NYSHNHZNZYVISU-JKSUJKDBSA-N 1 0 343.446 3.339 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000767712294 1302749527 /nfs/dbraw/zinc/74/95/27/1302749527.db2.gz PPJWIZZLJJGXGE-CYBMUJFWSA-N 1 0 339.357 3.059 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2cc(C(=O)OC)c(C)o2)c(O)c1 ZINC000768215375 1302856330 /nfs/dbraw/zinc/85/63/30/1302856330.db2.gz DZZQUAPDHIFWQM-UHFFFAOYSA-N 1 0 333.384 3.111 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000768249670 1302864306 /nfs/dbraw/zinc/86/43/06/1302864306.db2.gz ZFKXICKDBBBXBG-QGZVFWFLSA-N 1 0 333.476 3.194 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000768347965 1302883393 /nfs/dbraw/zinc/88/33/93/1302883393.db2.gz ZRINCDLFHHXFAL-IBGZPJMESA-N 1 0 343.515 3.271 20 10 EGCDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439981 1302900648 /nfs/dbraw/zinc/90/06/48/1302900648.db2.gz MNOKVRKXBIBUKJ-QGZVFWFLSA-N 1 0 333.815 3.494 20 10 EGCDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440835 1302903737 /nfs/dbraw/zinc/90/37/37/1302903737.db2.gz ZJJSEANBINRVPD-QGZVFWFLSA-N 1 0 333.815 3.494 20 10 EGCDRO CC(C)CNC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768440025 1302903983 /nfs/dbraw/zinc/90/39/83/1302903983.db2.gz CKACKWWHDDFIAC-UHFFFAOYSA-N 1 0 344.499 3.255 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)[C@H](O)CO2 ZINC000768441027 1302905164 /nfs/dbraw/zinc/90/51/64/1302905164.db2.gz CPVQSTCRSXTSAQ-QFBILLFUSA-N 1 0 343.398 3.164 20 10 EGCDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768467071 1302913074 /nfs/dbraw/zinc/91/30/74/1302913074.db2.gz XADVVQZTTBZAMB-AKCHCHLHSA-N 1 0 339.435 3.271 20 10 EGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(O)cccc1OC ZINC000769333156 1303093591 /nfs/dbraw/zinc/09/35/91/1303093591.db2.gz RSEIOAGVRYJKCF-UHFFFAOYSA-N 1 0 342.439 3.125 20 10 EGCDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769450949 1303114224 /nfs/dbraw/zinc/11/42/24/1303114224.db2.gz JXYVUVOPDVKQIO-NVXWUHKLSA-N 1 0 347.459 3.320 20 10 EGCDRO COc1cccc2c1nc(-c1ccc(N3CC[NH+](C)CC3)cc1)n2C ZINC000769730732 1303166608 /nfs/dbraw/zinc/16/66/08/1303166608.db2.gz ZVXJKAQCBCQLMJ-UHFFFAOYSA-N 1 0 336.439 3.001 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)cc1F ZINC000769934724 1303195446 /nfs/dbraw/zinc/19/54/46/1303195446.db2.gz VLSYZQVSLHRFOU-UHFFFAOYSA-N 1 0 349.494 3.456 20 10 EGCDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769936617 1303195771 /nfs/dbraw/zinc/19/57/71/1303195771.db2.gz HAZXENKNRSKACI-YPQKKHBXSA-N 1 0 333.432 3.002 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c(O)c1 ZINC000770290523 1303244288 /nfs/dbraw/zinc/24/42/88/1303244288.db2.gz CTVWYWDYPJIZLC-UHFFFAOYSA-N 1 0 346.471 3.158 20 10 EGCDRO Cc1nsc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000771203990 1303375439 /nfs/dbraw/zinc/37/54/39/1303375439.db2.gz SOXBTAIYTUGFCU-CYBMUJFWSA-N 1 0 338.864 3.282 20 10 EGCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324822 1303433681 /nfs/dbraw/zinc/43/36/81/1303433681.db2.gz ILMWYUULJYNMPO-BEFAXECRSA-N 1 0 343.515 3.303 20 10 EGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000772518860 1303541687 /nfs/dbraw/zinc/54/16/87/1303541687.db2.gz SHJWZAIBRREVNJ-MRXNPFEDSA-N 1 0 331.504 3.460 20 10 EGCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749476 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EGCDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)ccc1OCCO ZINC000783504431 1305100408 /nfs/dbraw/zinc/10/04/08/1305100408.db2.gz MSRJIWFQHPFJBH-KGLIPLIRSA-N 1 0 331.412 3.184 20 10 EGCDRO C[C@@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1O ZINC000892128840 1305259198 /nfs/dbraw/zinc/25/91/98/1305259198.db2.gz GIQNXVQQIKQQNM-RHSMWYFYSA-N 1 0 327.428 3.233 20 10 EGCDRO Fc1cc(C[NH2+]Cc2scnc2C2CC2)ccc1N1CCOCC1 ZINC000785424968 1305348064 /nfs/dbraw/zinc/34/80/64/1305348064.db2.gz AIMGYAIRLRDMMY-UHFFFAOYSA-N 1 0 347.459 3.286 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785540478 1305374440 /nfs/dbraw/zinc/37/44/40/1305374440.db2.gz JXRUGXSNELNRQV-PKWAYOAASA-N 1 0 325.836 3.230 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1O ZINC000785561554 1305378991 /nfs/dbraw/zinc/37/89/91/1305378991.db2.gz XEGCBLAOIBKJPD-KXBFYZLASA-N 1 0 328.456 3.490 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H]1C ZINC000787421152 1305742710 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COc1ccccc1O[C@H](C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894315816 1306339470 /nfs/dbraw/zinc/33/94/70/1306339470.db2.gz NFBCOSITMHVYEV-CQSZACIVSA-N 1 0 331.412 3.275 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1O ZINC000790928081 1308889401 /nfs/dbraw/zinc/88/94/01/1308889401.db2.gz QOKDGJDFAKPPJB-HNNXBMFYSA-N 1 0 326.868 3.264 20 10 EGCDRO CCOC(=O)NC1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000791011050 1308908951 /nfs/dbraw/zinc/90/89/51/1308908951.db2.gz LKJJKBYVWLDZNT-UHFFFAOYSA-N 1 0 345.487 3.434 20 10 EGCDRO CC(C)(C)OC(=O)NCC1CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000895155280 1309215502 /nfs/dbraw/zinc/21/55/02/1309215502.db2.gz HDYSUSDGGUXGLS-UHFFFAOYSA-N 1 0 340.851 3.439 20 10 EGCDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792886095 1309251315 /nfs/dbraw/zinc/25/13/15/1309251315.db2.gz YOWLTYXUAGLBND-OAHLLOKOSA-N 1 0 329.410 3.345 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)CC2CCC2)c1O ZINC000793321875 1309345392 /nfs/dbraw/zinc/34/53/92/1309345392.db2.gz LJGOJWPSYSMSMI-CQSZACIVSA-N 1 0 328.250 3.104 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)c(O)c1 ZINC000793389134 1309361486 /nfs/dbraw/zinc/36/14/86/1309361486.db2.gz WZQXVJUPXYSJCD-QFBILLFUSA-N 1 0 340.467 3.401 20 10 EGCDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000793567621 1309406810 /nfs/dbraw/zinc/40/68/10/1309406810.db2.gz ZODXFKDSSPMWBQ-AWEZNQCLSA-N 1 0 338.879 3.132 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(C)c2O)cc1 ZINC000793620957 1309419681 /nfs/dbraw/zinc/41/96/81/1309419681.db2.gz UZQUPXGKUYOUMG-AWEZNQCLSA-N 1 0 333.453 3.345 20 10 EGCDRO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794703714 1309577995 /nfs/dbraw/zinc/57/79/95/1309577995.db2.gz LSODHJBRUKPHGH-VBKZILBWSA-N 1 0 349.471 3.078 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCc3cc(O)c(OC)cc3C2)c1O ZINC000895889529 1309579678 /nfs/dbraw/zinc/57/96/78/1309579678.db2.gz WXUHXWXRZBXRPS-UHFFFAOYSA-N 1 0 329.396 3.063 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@]2(CCCOC2)O1 ZINC000794890057 1309616757 /nfs/dbraw/zinc/61/67/57/1309616757.db2.gz KXMJXXJEALMPDC-XOBRGWDASA-N 1 0 349.471 3.165 20 10 EGCDRO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000795892565 1309855761 /nfs/dbraw/zinc/85/57/61/1309855761.db2.gz UGQMOCUSDVJFRX-UHFFFAOYSA-N 1 0 332.831 3.482 20 10 EGCDRO c1cnn(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)c1 ZINC000796275677 1309949602 /nfs/dbraw/zinc/94/96/02/1309949602.db2.gz NEHBBSQFHOKIGP-UHFFFAOYSA-N 1 0 332.451 3.236 20 10 EGCDRO COC[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)OC ZINC000796342240 1309971338 /nfs/dbraw/zinc/97/13/38/1309971338.db2.gz IIUZJZXVRGUHED-FQEVSTJZSA-N 1 0 340.467 3.000 20 10 EGCDRO Oc1c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)ccc2ccccc21 ZINC000897257984 1310249128 /nfs/dbraw/zinc/24/91/28/1310249128.db2.gz FSRFMXGFNOGVTA-KRWDZBQOSA-N 1 0 327.424 3.051 20 10 EGCDRO Cn1nccc1[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000897558392 1310379112 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EGCDRO Oc1cc2c(cc1C[NH2+]CCCc1c[nH]c3ccc(F)cc13)OCO2 ZINC000800296118 1310724797 /nfs/dbraw/zinc/72/47/97/1310724797.db2.gz JVKQQRYNKAZIBJ-UHFFFAOYSA-N 1 0 342.370 3.464 20 10 EGCDRO CSc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898446806 1310739223 /nfs/dbraw/zinc/73/92/23/1310739223.db2.gz BQGRUPKHDOOEFZ-QGZVFWFLSA-N 1 0 333.501 3.460 20 10 EGCDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000898448138 1310739417 /nfs/dbraw/zinc/73/94/17/1310739417.db2.gz PWVNXUSRYWEIMW-VLIAUNLRSA-N 1 0 341.503 3.113 20 10 EGCDRO COCc1csc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898448120 1310739457 /nfs/dbraw/zinc/73/94/57/1310739457.db2.gz PKDZIYMZXYJXNR-LJQANCHMSA-N 1 0 347.528 3.353 20 10 EGCDRO CCCC[N@H+](Cc1nc2ccc(OC)nc2[nH]1)Cc1ccccc1O ZINC000801595646 1310971528 /nfs/dbraw/zinc/97/15/28/1310971528.db2.gz HDYMAGFHQGUYIO-UHFFFAOYSA-N 1 0 340.427 3.474 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000918346631 1319945001 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/nfs/dbraw/zinc/18/53/67/1317185367.db2.gz KISPURBPNNCLES-LVCYWYKZSA-N 1 0 342.483 3.274 20 10 EGCDRO CCC[N@H+](Cc1cc(=O)n2cc(C)sc2n1)Cc1ccccc1O ZINC000929753755 1328689252 /nfs/dbraw/zinc/68/92/52/1328689252.db2.gz VNRCVGDGTDHBEB-UHFFFAOYSA-N 1 0 343.452 3.182 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@H](CNCc2c(O)cccc2Br)C1 ZINC000858127444 1328689486 /nfs/dbraw/zinc/68/94/86/1328689486.db2.gz FMVIRXWMEQYBOF-CYBMUJFWSA-N 1 0 341.293 3.365 20 10 EGCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805074127 1317315222 /nfs/dbraw/zinc/31/52/22/1317315222.db2.gz CTZKSSHIVKOBQU-JTQLQIEISA-N 1 0 348.274 3.229 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(C3OCCO3)cc2)cc1F ZINC000858135698 1328691592 /nfs/dbraw/zinc/69/15/92/1328691592.db2.gz CQUQGQYSTKXDRJ-UHFFFAOYSA-N 1 0 348.393 3.366 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCC(=O)Nc2ccccc2)cc1F ZINC000858135985 1328691976 /nfs/dbraw/zinc/69/19/76/1328691976.db2.gz DQGBUNBCLYTSQD-UHFFFAOYSA-N 1 0 333.382 3.149 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000805747598 1317416410 /nfs/dbraw/zinc/41/64/10/1317416410.db2.gz DAPZLKLGGTXWBM-SWLSCSKDSA-N 1 0 335.831 3.308 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccccc3F)C2)cc1C ZINC001019947013 1317471473 /nfs/dbraw/zinc/47/14/73/1317471473.db2.gz PHQRKDYDSYVYTP-WKILWMFISA-N 1 0 342.414 3.193 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc(C)c3)C2)cc1C ZINC001019963277 1317478733 /nfs/dbraw/zinc/47/87/33/1317478733.db2.gz BRRDOCREQPBBEE-WGSAOQKQSA-N 1 0 338.451 3.363 20 10 EGCDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccccc1O)[NH+](C)C ZINC000806644337 1317515644 /nfs/dbraw/zinc/51/56/44/1317515644.db2.gz XZMHJIARLBFLFR-HNAYVOBHSA-N 1 0 341.455 3.191 20 10 EGCDRO CNc1ccc(C)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000902093300 1317520651 /nfs/dbraw/zinc/52/06/51/1317520651.db2.gz RYEUIZLQWJWWFI-UHFFFAOYSA-N 1 0 325.456 3.163 20 10 EGCDRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807140823 1317552987 /nfs/dbraw/zinc/55/29/87/1317552987.db2.gz OOPMUKRFBDAGCS-KRWDZBQOSA-N 1 0 346.519 3.331 20 10 EGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858194989 1328708818 /nfs/dbraw/zinc/70/88/18/1328708818.db2.gz NYWXKZDKDTZZIA-YJYMSZOUSA-N 1 0 334.410 3.285 20 10 EGCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000902756286 1317612184 /nfs/dbraw/zinc/61/21/84/1317612184.db2.gz XCFHVMISMYSHKG-DLBZAZTESA-N 1 0 336.451 3.100 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000808426123 1317675268 /nfs/dbraw/zinc/67/52/68/1317675268.db2.gz PAECAOWJDULAHX-SFHVURJKSA-N 1 0 332.419 3.323 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000808431007 1317676308 /nfs/dbraw/zinc/67/63/08/1317676308.db2.gz NKNJSUQXCKATEW-OAHLLOKOSA-N 1 0 335.831 3.310 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1O ZINC000903448313 1317702151 /nfs/dbraw/zinc/70/21/51/1317702151.db2.gz MYDDFCGPHTXZHO-DNVCBOLYSA-N 1 0 327.472 3.412 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCOCC1 ZINC000903448732 1317702474 /nfs/dbraw/zinc/70/24/74/1317702474.db2.gz RPSKHJIXKZIWBA-PMACEKPBSA-N 1 0 333.520 3.150 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1O ZINC000808673461 1317712381 /nfs/dbraw/zinc/71/23/81/1317712381.db2.gz PPNWTHIXAPGPDX-PBHICJAKSA-N 1 0 340.895 3.361 20 10 EGCDRO CSCC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)C(=O)N(C)C ZINC000808717533 1317722066 /nfs/dbraw/zinc/72/20/66/1317722066.db2.gz FZKKBYVBMCOFOI-RISCZKNCSA-N 1 0 344.908 3.215 20 10 EGCDRO CCCOc1ccc(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)cc1C ZINC000904061666 1317781521 /nfs/dbraw/zinc/78/15/21/1317781521.db2.gz RQZBIPHTRJOOKK-UHFFFAOYSA-N 1 0 348.487 3.203 20 10 EGCDRO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000809739813 1317886285 /nfs/dbraw/zinc/88/62/85/1317886285.db2.gz FBVPFVDUQCDPLX-UHFFFAOYSA-N 1 0 339.395 3.089 20 10 EGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccc(N(C)C)cc2)c1 ZINC000809751377 1317890454 /nfs/dbraw/zinc/89/04/54/1317890454.db2.gz DUWLQGFAIHODCN-UHFFFAOYSA-N 1 0 341.499 3.325 20 10 EGCDRO COCC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000810178072 1317969315 /nfs/dbraw/zinc/96/93/15/1317969315.db2.gz MPFHWXWBWAVEQH-UHFFFAOYSA-N 1 0 332.488 3.210 20 10 EGCDRO CC(C)Oc1ccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)cc1 ZINC000905618459 1317973850 /nfs/dbraw/zinc/97/38/50/1317973850.db2.gz OPYZQFIQLRDBLX-UHFFFAOYSA-N 1 0 344.484 3.421 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccc(C(F)(F)F)cc1O ZINC000810213879 1317977677 /nfs/dbraw/zinc/97/76/77/1317977677.db2.gz YOXDVRNNDICUII-RISCZKNCSA-N 1 0 344.377 3.463 20 10 EGCDRO CCCNC(=O)CC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810211806 1317977733 /nfs/dbraw/zinc/97/77/33/1317977733.db2.gz WOMGBXWFVZIAPY-CYBMUJFWSA-N 1 0 332.366 3.368 20 10 EGCDRO CC[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(C(F)(F)F)cc1O ZINC000810220649 1317979025 /nfs/dbraw/zinc/97/90/25/1317979025.db2.gz BQLWJEDZZISXLW-TZMCWYRMSA-N 1 0 335.391 3.320 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810236945 1317982789 /nfs/dbraw/zinc/98/27/89/1317982789.db2.gz OOIOWHSCVPDKDG-HIFRSBDPSA-N 1 0 333.350 3.257 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)c1ccc(C(F)(F)F)cc1O ZINC000810238821 1317984176 /nfs/dbraw/zinc/98/41/76/1317984176.db2.gz NTSOWUSJFPGHHX-ZWNOBZJWSA-N 1 0 332.366 3.319 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000810244296 1317984947 /nfs/dbraw/zinc/98/49/47/1317984947.db2.gz ZOTUIKZUGJNLRH-LJQANCHMSA-N 1 0 325.456 3.021 20 10 EGCDRO CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000810251897 1317986817 /nfs/dbraw/zinc/98/68/17/1317986817.db2.gz BGIGBBJNSDROMZ-OAHLLOKOSA-N 1 0 326.481 3.399 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1O ZINC000811518241 1318194354 /nfs/dbraw/zinc/19/43/54/1318194354.db2.gz HQGBAENCJDHHMT-OAHLLOKOSA-N 1 0 342.277 3.350 20 10 EGCDRO CC[C@H](F)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000960090476 1318348145 /nfs/dbraw/zinc/34/81/45/1318348145.db2.gz UWPYKTLAKUTUIL-IRXDYDNUSA-N 1 0 336.451 3.222 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(OC)C2CC2)c1O ZINC000812772276 1318451313 /nfs/dbraw/zinc/45/13/13/1318451313.db2.gz CUVMTUQGSRGFDK-OAHLLOKOSA-N 1 0 344.249 3.068 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CC(C)(C)C3)C2)cc1C ZINC001022038828 1318776691 /nfs/dbraw/zinc/77/66/91/1318776691.db2.gz WDEXFEHTABOKDM-CALCHBBNSA-N 1 0 330.472 3.177 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@]3(C)CC=CCC3)C2)cc1C ZINC001022131695 1318811540 /nfs/dbraw/zinc/81/15/40/1318811540.db2.gz YMKQHIHQELKAOL-UEXGIBASSA-N 1 0 342.483 3.487 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cc[nH]c(=O)c3)CC2)cc1 ZINC000815148426 1318913496 /nfs/dbraw/zinc/91/34/96/1318913496.db2.gz VVHWLLGLWOXXNR-CQSZACIVSA-N 1 0 327.428 3.115 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](CO)C3CCCCC3)CC2)cc1 ZINC000815150755 1318914199 /nfs/dbraw/zinc/91/41/99/1318914199.db2.gz NEYISIAYSMCSRC-GOSISDBHSA-N 1 0 346.515 3.442 20 10 EGCDRO CC[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000815641362 1319033928 /nfs/dbraw/zinc/03/39/28/1319033928.db2.gz VZLBDCYDXCXACE-AWEZNQCLSA-N 1 0 342.365 3.213 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](O)COCc2ccccc2)c1 ZINC000858594561 1328805167 /nfs/dbraw/zinc/80/51/67/1328805167.db2.gz FEIPSIIOMSNIBT-SJLPKXTDSA-N 1 0 329.440 3.319 20 10 EGCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc3ccccc3c1O)CC2 ZINC000816514604 1319170778 /nfs/dbraw/zinc/17/07/78/1319170778.db2.gz BZZGNRAWXGWYTM-RTBURBONSA-N 1 0 341.451 3.297 20 10 EGCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000816662223 1319203578 /nfs/dbraw/zinc/20/35/78/1319203578.db2.gz KOUQTIVZOXXIFW-INIZCTEOSA-N 1 0 342.277 3.385 20 10 EGCDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817412098 1319351829 /nfs/dbraw/zinc/35/18/29/1319351829.db2.gz CXPNOENUOYBJLX-SJLPKXTDSA-N 1 0 341.451 3.422 20 10 EGCDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817412099 1319352129 /nfs/dbraw/zinc/35/21/29/1319352129.db2.gz CXPNOENUOYBJLX-WMZOPIPTSA-N 1 0 341.451 3.422 20 10 EGCDRO Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)c(C)n1-c1ccccn1 ZINC000914847129 1319387709 /nfs/dbraw/zinc/38/77/09/1319387709.db2.gz SQQQWIRTPIFEOA-UHFFFAOYSA-N 1 0 342.487 3.338 20 10 EGCDRO CON1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000817587568 1319407232 /nfs/dbraw/zinc/40/72/32/1319407232.db2.gz YXLZDGRPTRSJDQ-OAHLLOKOSA-N 1 0 335.467 3.492 20 10 EGCDRO COc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1OC ZINC000817938323 1319467353 /nfs/dbraw/zinc/46/73/53/1319467353.db2.gz JBWHYQHZZYUMDZ-KBXCAEBGSA-N 1 0 343.471 3.120 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000817939536 1319467950 /nfs/dbraw/zinc/46/79/50/1319467950.db2.gz CKNQBUAOZXMVCM-HNAYVOBHSA-N 1 0 326.488 3.169 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817945372 1319472009 /nfs/dbraw/zinc/47/20/09/1319472009.db2.gz AMELVFGPIZEWGY-UWVGGRQHSA-N 1 0 347.684 3.458 20 10 EGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817966184 1319479267 /nfs/dbraw/zinc/47/92/67/1319479267.db2.gz IHYWGKVIQCKYAP-BMIGLBTASA-N 1 0 345.256 3.334 20 10 EGCDRO COC[C@]1(CN[C@H](C)c2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000817972989 1319482841 /nfs/dbraw/zinc/48/28/41/1319482841.db2.gz AQSAQSRGFQCLSG-YLJYHZDGSA-N 1 0 331.504 3.096 20 10 EGCDRO CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817974943 1319482976 /nfs/dbraw/zinc/48/29/76/1319482976.db2.gz OOBNEPIGMXYUOY-OAHLLOKOSA-N 1 0 326.868 3.103 20 10 EGCDRO Cc1cc(N)cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000817982211 1319485258 /nfs/dbraw/zinc/48/52/58/1319485258.db2.gz ZYDUAPQUCBCJIW-OAHLLOKOSA-N 1 0 343.446 3.404 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(C)n1-c1cccc(C)c1 ZINC000818017301 1319491712 /nfs/dbraw/zinc/49/17/12/1319491712.db2.gz ABDDXCFWJLPOEX-NRFANRHFSA-N 1 0 337.467 3.371 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccccc3N(C)C)C2)cc1 ZINC000818221090 1319521866 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COc1ccc(N2CCC[N@H+](C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000917017387 1319740744 /nfs/dbraw/zinc/74/07/44/1319740744.db2.gz QPDLRQBLORLCPJ-HXUWFJFHSA-N 1 0 344.430 3.080 20 10 EGCDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000824085988 1320227931 /nfs/dbraw/zinc/22/79/31/1320227931.db2.gz ROJQDOKRMBSHAC-YNVMFWSZSA-N 1 0 343.515 3.303 20 10 EGCDRO COc1cccc(C[NH2+]CCOc2ccc(F)c(Cl)c2)c1O ZINC000824590515 1320267903 /nfs/dbraw/zinc/26/79/03/1320267903.db2.gz OCPNMEFXMDEJOO-UHFFFAOYSA-N 1 0 325.767 3.362 20 10 EGCDRO Oc1cc(Br)ccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000824639847 1320273418 /nfs/dbraw/zinc/27/34/18/1320273418.db2.gz QUOVDUVLLALABL-UHFFFAOYSA-N 1 0 336.233 3.257 20 10 EGCDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000825046044 1320305603 /nfs/dbraw/zinc/30/56/03/1320305603.db2.gz OXMACJUCPDYAQY-LPHOPBHVSA-N 1 0 337.423 3.289 20 10 EGCDRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000825185123 1320316911 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CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000827340771 1320446080 /nfs/dbraw/zinc/44/60/80/1320446080.db2.gz KIGLBBXOGMVFRM-IBGZPJMESA-N 1 0 325.456 3.157 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2C)cc1 ZINC000827340772 1320446085 /nfs/dbraw/zinc/44/60/85/1320446085.db2.gz KIGLBBXOGMVFRM-LJQANCHMSA-N 1 0 325.456 3.157 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(n1)CCC2 ZINC000838790353 1320817224 /nfs/dbraw/zinc/81/72/24/1320817224.db2.gz ZKDOMPRUDVJVIC-UHFFFAOYSA-N 1 0 337.467 3.039 20 10 EGCDRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 ZINC000838973252 1320845374 /nfs/dbraw/zinc/84/53/74/1320845374.db2.gz WKIHGHWIWVXNMZ-CYBMUJFWSA-N 1 0 337.370 3.343 20 10 EGCDRO COc1c(O)c(C[NH+]2CC(Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000839135160 1320877577 /nfs/dbraw/zinc/87/75/77/1320877577.db2.gz ZVAVDBWQUPGJRU-UHFFFAOYSA-N 1 0 346.358 3.123 20 10 EGCDRO COc1cc(O)c(C[NH+]2CC(Cc3ccc(F)cc3)C2)cc1OC ZINC000839134647 1320877815 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C[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000840864417 1321165098 /nfs/dbraw/zinc/16/50/98/1321165098.db2.gz BRORGFMNPQIZIM-NSHDSACASA-N 1 0 339.844 3.300 20 10 EGCDRO C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1cc(F)ccc1O ZINC000840865009 1321165202 /nfs/dbraw/zinc/16/52/02/1321165202.db2.gz SLSBQRUXLKQPQP-SWLSCSKDSA-N 1 0 332.375 3.303 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000840877384 1321167263 /nfs/dbraw/zinc/16/72/63/1321167263.db2.gz VYGMMBXMVLFBRW-AWEZNQCLSA-N 1 0 326.506 3.007 20 10 EGCDRO CC[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000840875371 1321167328 /nfs/dbraw/zinc/16/73/28/1321167328.db2.gz DLAYJTDWBNNJIK-MRXNPFEDSA-N 1 0 326.506 3.007 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000840892536 1321171958 /nfs/dbraw/zinc/17/19/58/1321171958.db2.gz ALXOTIYMZYWPMF-HNAYVOBHSA-N 1 0 326.488 3.393 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000840913629 1321176576 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/nfs/dbraw/zinc/21/60/40/1321216040.db2.gz PYKHBZZCIFZFQL-AWEZNQCLSA-N 1 0 342.395 3.095 20 10 EGCDRO [NH3+][C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1c1ccccc1F ZINC000841103011 1321219085 /nfs/dbraw/zinc/21/90/85/1321219085.db2.gz CTQMHIBPWKIKNE-XJKSGUPXSA-N 1 0 338.785 3.251 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841288449 1321245881 /nfs/dbraw/zinc/24/58/81/1321245881.db2.gz WQJNQLQQGXMEQM-UHFFFAOYSA-N 1 0 343.427 3.174 20 10 EGCDRO CC[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(N(C)C)cc1 ZINC000841760524 1321308110 /nfs/dbraw/zinc/30/81/10/1321308110.db2.gz FSKBYYBMJHLAQM-SFHVURJKSA-N 1 0 334.504 3.361 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841893669 1321327575 /nfs/dbraw/zinc/32/75/75/1321327575.db2.gz HUHWGADSHNUARY-KRWDZBQOSA-N 1 0 332.394 3.488 20 10 EGCDRO O=C(NC[C@H]1CCCC[NH2+]1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841919015 1321328982 /nfs/dbraw/zinc/32/89/82/1321328982.db2.gz DEDKLZYRYFLNND-QGZVFWFLSA-N 1 0 345.487 3.379 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000841952963 1321332018 /nfs/dbraw/zinc/33/20/18/1321332018.db2.gz JRQINOIFLBUYDL-WBVHZDCISA-N 1 0 333.476 3.221 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841971695 1321333174 /nfs/dbraw/zinc/33/31/74/1321333174.db2.gz ZVIQEQHBJINXBU-IBGZPJMESA-N 1 0 333.476 3.094 20 10 EGCDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC[NH2+]1 ZINC000841989277 1321333738 /nfs/dbraw/zinc/33/37/38/1321333738.db2.gz UCUVSHYHOGWBSP-WBVHZDCISA-N 1 0 345.487 3.377 20 10 EGCDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000842473148 1321392980 /nfs/dbraw/zinc/39/29/80/1321392980.db2.gz RFLLBCZYCUOZON-BEFAXECRSA-N 1 0 349.438 3.334 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc2c(cc1O)CCCC2 ZINC000842884744 1321443763 /nfs/dbraw/zinc/44/37/63/1321443763.db2.gz JZFZCLLWBLDGDC-GUYCJALGSA-N 1 0 330.472 3.321 20 10 EGCDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000842915225 1321448729 /nfs/dbraw/zinc/44/87/29/1321448729.db2.gz IPEFLXKOYJPKTE-ZOBUZTSGSA-N 1 0 338.467 3.110 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cn3c(cccc3C)n2)c1 ZINC000842933839 1321450330 /nfs/dbraw/zinc/45/03/30/1321450330.db2.gz SMRSOHLDZDQJDI-CQSZACIVSA-N 1 0 325.412 3.250 20 10 EGCDRO COc1ccccc1-n1nccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057324 1321464187 /nfs/dbraw/zinc/46/41/87/1321464187.db2.gz CCKLAXUVWWYTEJ-UHFFFAOYSA-N 1 0 348.450 3.292 20 10 EGCDRO CCN(C(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21)c1ccccc1 ZINC000843349470 1321503588 /nfs/dbraw/zinc/50/35/88/1321503588.db2.gz AVWHODOBZZFCRV-INIZCTEOSA-N 1 0 337.467 3.340 20 10 EGCDRO CSc1cccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843349601 1321503740 /nfs/dbraw/zinc/50/37/40/1321503740.db2.gz FUZAVZMTOYYJSW-UHFFFAOYSA-N 1 0 341.480 3.259 20 10 EGCDRO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349750 1321503786 /nfs/dbraw/zinc/50/37/86/1321503786.db2.gz AEEITKOSXYNHPD-HNNXBMFYSA-N 1 0 329.488 3.078 20 10 EGCDRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000843377748 1321509019 /nfs/dbraw/zinc/50/90/19/1321509019.db2.gz JIYLVMGQBBATAA-IYBDPMFKSA-N 1 0 349.438 3.192 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc1N1CCOCC1 ZINC000843415936 1321514255 /nfs/dbraw/zinc/51/42/55/1321514255.db2.gz FHSHLVFSPUANIM-IEBWSBKVSA-N 1 0 348.462 3.053 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C(=O)NCc1cccs1 ZINC000843426476 1321516936 /nfs/dbraw/zinc/51/69/36/1321516936.db2.gz ZKUJHGUNGJDRQK-GOSISDBHSA-N 1 0 345.512 3.307 20 10 EGCDRO [NH3+][C@H](C(=O)NCCCSc1nccs1)c1cccc(Cl)c1 ZINC000843439746 1321519197 /nfs/dbraw/zinc/51/91/97/1321519197.db2.gz OWRWGSXOSKRJFS-LBPRGKRZSA-N 1 0 341.889 3.095 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])c1ccccc1C ZINC000843487933 1321522142 /nfs/dbraw/zinc/52/21/42/1321522142.db2.gz MNEONTYSALPWPH-IBGZPJMESA-N 1 0 325.456 3.110 20 10 EGCDRO CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000846106651 1321767677 /nfs/dbraw/zinc/76/76/77/1321767677.db2.gz DDQZEUJKCAWBOV-ZBFHGGJFSA-N 1 0 347.377 3.383 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1O ZINC000846136035 1321770073 /nfs/dbraw/zinc/77/00/73/1321770073.db2.gz GENFEHOJQAEFSU-HOCLYGCPSA-N 1 0 330.428 3.482 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)c1O ZINC000846137336 1321770119 /nfs/dbraw/zinc/77/01/19/1321770119.db2.gz NVKIKVYZTNROJK-LBPRGKRZSA-N 1 0 347.411 3.277 20 10 EGCDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)CC(C)C ZINC000846138726 1321770860 /nfs/dbraw/zinc/77/08/60/1321770860.db2.gz NFWMRSXVBLVTQU-UONOGXRCSA-N 1 0 338.448 3.212 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000846143717 1321771135 /nfs/dbraw/zinc/77/11/35/1321771135.db2.gz GDCZBJBUAAWMMU-STQMWFEESA-N 1 0 340.423 3.332 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000846145312 1321771334 /nfs/dbraw/zinc/77/13/34/1321771334.db2.gz NYUYTPMEVPOECP-NWDGAFQWSA-N 1 0 329.400 3.303 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1O ZINC000846163768 1321773136 /nfs/dbraw/zinc/77/31/36/1321773136.db2.gz KNSLCKCSFACSAX-ZDUSSCGKSA-N 1 0 325.412 3.181 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)c1O ZINC000846171495 1321773626 /nfs/dbraw/zinc/77/36/26/1321773626.db2.gz SZSIAVGWMPJVGA-ZDUSSCGKSA-N 1 0 338.407 3.104 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000846170070 1321773677 /nfs/dbraw/zinc/77/36/77/1321773677.db2.gz VTWBYSPUGZUNFU-DOTOQJQBSA-N 1 0 329.440 3.272 20 10 EGCDRO CCN(CC[NH2+][C@@H](C)c1cccc(OC)c1O)CCC(F)(F)F ZINC000846166740 1321773812 /nfs/dbraw/zinc/77/38/12/1321773812.db2.gz OKJJUVGGNQUFAM-LBPRGKRZSA-N 1 0 334.382 3.326 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000846206853 1321776222 /nfs/dbraw/zinc/77/62/22/1321776222.db2.gz USRZJAYKMNOBTJ-SJORKVTESA-N 1 0 341.499 3.338 20 10 EGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCCCCC[NH3+])ccc21 ZINC000846679784 1321801075 /nfs/dbraw/zinc/80/10/75/1321801075.db2.gz MCTBJNAQOJIFAW-UHFFFAOYSA-N 1 0 345.487 3.153 20 10 EGCDRO Cc1cc(C(=O)N2CCC(CC[NH3+])CC2)c(C)n1-c1ccc(F)cc1 ZINC000846699688 1321802427 /nfs/dbraw/zinc/80/24/27/1321802427.db2.gz PRSPXEOWKGKWTH-UHFFFAOYSA-N 1 0 343.446 3.434 20 10 EGCDRO CC[N@H+](C)C[C@H](O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846838857 1321814976 /nfs/dbraw/zinc/81/49/76/1321814976.db2.gz AZINVKVYIZVVKP-XLIONFOSSA-N 1 0 342.483 3.268 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000848563846 1321977098 /nfs/dbraw/zinc/97/70/98/1321977098.db2.gz XOZJDEHQEJEQDQ-HNNXBMFYSA-N 1 0 348.487 3.231 20 10 EGCDRO CCc1cccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000848888857 1322030833 /nfs/dbraw/zinc/03/08/33/1322030833.db2.gz BQOKTSIMXFJVGR-UHFFFAOYSA-N 1 0 327.350 3.339 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc(OCCO)c(OC)c2)c1O ZINC000848895168 1322033852 /nfs/dbraw/zinc/03/38/52/1322033852.db2.gz RHALZIKQPFYOJT-CQSZACIVSA-N 1 0 345.439 3.185 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000848905833 1322041759 /nfs/dbraw/zinc/04/17/59/1322041759.db2.gz PDCRDCGPVJVMDH-GOSISDBHSA-N 1 0 330.472 3.368 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C(C)C ZINC000848927738 1322047552 /nfs/dbraw/zinc/04/75/52/1322047552.db2.gz MIKMOSPHQIRFOQ-UHFFFAOYSA-N 1 0 329.824 3.218 20 10 EGCDRO COc1cc(C[NH2+][C@H](C(N)=O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000850023164 1322183720 /nfs/dbraw/zinc/18/37/20/1322183720.db2.gz CMDLPUGFEHWDFI-KRWDZBQOSA-N 1 0 342.439 3.015 20 10 EGCDRO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000850112145 1322193227 /nfs/dbraw/zinc/19/32/27/1322193227.db2.gz TWYOJUFJAVQSSK-OAHLLOKOSA-N 1 0 327.424 3.325 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000850355288 1322232389 /nfs/dbraw/zinc/23/23/89/1322232389.db2.gz FAALHCNPTSZJFU-HNNXBMFYSA-N 1 0 333.350 3.381 20 10 EGCDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000850396969 1322237849 /nfs/dbraw/zinc/23/78/49/1322237849.db2.gz RMNDYGIYMUBUBM-GOSISDBHSA-N 1 0 343.515 3.414 20 10 EGCDRO COCc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850405875 1322240168 /nfs/dbraw/zinc/24/01/68/1322240168.db2.gz IYYKHHGCQGJDAL-UHFFFAOYSA-N 1 0 340.467 3.084 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c(O)c1 ZINC000850416361 1322242999 /nfs/dbraw/zinc/24/29/99/1322242999.db2.gz IREWDSLQGZGJLA-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000850532788 1322261632 /nfs/dbraw/zinc/26/16/32/1322261632.db2.gz XFJLBOBYQRNVCS-HNNXBMFYSA-N 1 0 338.517 3.151 20 10 EGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000850568261 1322269555 /nfs/dbraw/zinc/26/95/55/1322269555.db2.gz UDSGPAFLCICRPR-UXHICEINSA-N 1 0 346.515 3.329 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCSCC1 ZINC000850567618 1322269758 /nfs/dbraw/zinc/26/97/58/1322269758.db2.gz HIJDMNPCUFMXKA-OAHLLOKOSA-N 1 0 334.529 3.269 20 10 EGCDRO O=C1NCCCN1c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000850575419 1322270922 /nfs/dbraw/zinc/27/09/22/1322270922.db2.gz VTGURVFOLZOOTF-QGZVFWFLSA-N 1 0 337.423 3.089 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c1 ZINC000850574829 1322271111 /nfs/dbraw/zinc/27/11/11/1322271111.db2.gz KVGORILSJGELIL-OAHLLOKOSA-N 1 0 339.439 3.471 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000850721543 1322279057 /nfs/dbraw/zinc/27/90/57/1322279057.db2.gz ACRSBWIQKVDRKV-XIKOKIGWSA-N 1 0 329.419 3.043 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(OC)c1 ZINC000922245330 1322486534 /nfs/dbraw/zinc/48/65/34/1322486534.db2.gz MHFYYTIMBYODMD-IBGZPJMESA-N 1 0 327.424 3.498 20 10 EGCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1C(F)(F)F ZINC000922984761 1322668680 /nfs/dbraw/zinc/66/86/80/1322668680.db2.gz NBUDVVNTOSIXJM-INIZCTEOSA-N 1 0 337.341 3.464 20 10 EGCDRO C/C=C(\C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023923654 1323029712 /nfs/dbraw/zinc/02/97/12/1323029712.db2.gz DPPUHYWNLLIVBZ-LUFMRPCYSA-N 1 0 330.472 3.298 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cn(C(C)C)nn3)CC2)cc1 ZINC000924905327 1323207785 /nfs/dbraw/zinc/20/77/85/1323207785.db2.gz FRFNHMRJIHBUNW-HNNXBMFYSA-N 1 0 343.475 3.187 20 10 EGCDRO COc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000924908666 1323208136 /nfs/dbraw/zinc/20/81/36/1323208136.db2.gz XERCEVWKDHTWEH-CYBMUJFWSA-N 1 0 331.416 3.011 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C(C)(C)F)C[C@H]23)cc1C ZINC001026168809 1324637039 /nfs/dbraw/zinc/63/70/39/1324637039.db2.gz KZLODNKZZIUOJC-IXDOHACOSA-N 1 0 348.462 3.078 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853241024 1325070389 /nfs/dbraw/zinc/07/03/89/1325070389.db2.gz RUAPBALNDVGKPP-UKRRQHHQSA-N 1 0 333.432 3.073 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cn(C(C)C)nn3)C2)cc1 ZINC000926613097 1327635548 /nfs/dbraw/zinc/63/55/48/1327635548.db2.gz SDMKQAWUTXODBJ-JKSUJKDBSA-N 1 0 343.475 3.045 20 10 EGCDRO CCOC(=O)c1cccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)n1 ZINC000862211041 1329465962 /nfs/dbraw/zinc/46/59/62/1329465962.db2.gz BMNZUMGDYCHJTM-UHFFFAOYSA-N 1 0 341.455 3.346 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)Cc2ccccc21 ZINC000863332256 1329547019 /nfs/dbraw/zinc/54/70/19/1329547019.db2.gz COVZTPPOLSAABR-GOSISDBHSA-N 1 0 325.408 3.281 20 10 EGCDRO Cc1cc(C[NH2+]C[C@@H](O)CC(F)(F)F)c(C)n1-c1ccccc1 ZINC000863583539 1329564825 /nfs/dbraw/zinc/56/48/25/1329564825.db2.gz ZHBUVBXJIHGZCD-INIZCTEOSA-N 1 0 326.362 3.497 20 10 EGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@]12C[C@H]1CCC2 ZINC000934939837 1330019022 /nfs/dbraw/zinc/01/90/22/1330019022.db2.gz DFOWTBFBRPTFQR-SIXWZSSISA-N 1 0 348.874 3.316 20 10 EGCDRO CCC[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000866414238 1330108971 /nfs/dbraw/zinc/10/89/71/1330108971.db2.gz BBYBCXXHTGSGFW-HUUCEWRRSA-N 1 0 340.895 3.378 20 10 EGCDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000866414239 1330109142 /nfs/dbraw/zinc/10/91/42/1330109142.db2.gz BBYBCXXHTGSGFW-LSDHHAIUSA-N 1 0 340.895 3.378 20 10 EGCDRO CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000948073476 1333366033 /nfs/dbraw/zinc/36/60/33/1333366033.db2.gz KLXHMJKRNFYPCJ-CZUORRHYSA-N 1 0 345.447 3.232 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)cc1C ZINC001018422467 1339610768 /nfs/dbraw/zinc/61/07/68/1339610768.db2.gz DFGHHXOJQXOVFO-SFHVURJKSA-N 1 0 342.414 3.147 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccoc2C)cc1C ZINC001034852358 1342803459 /nfs/dbraw/zinc/80/34/59/1342803459.db2.gz DITDGSJBQCNCRL-QGZVFWFLSA-N 1 0 342.439 3.299 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)/C=C/C2CC2)cc1C ZINC001034894812 1342825292 /nfs/dbraw/zinc/82/52/92/1342825292.db2.gz QCDNRBDROLQBBX-XSFOEPMVSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)C(C)C)C2)cc1C ZINC001036362871 1343444187 /nfs/dbraw/zinc/44/41/87/1343444187.db2.gz MSVPLYMDPUXYAY-WMZOPIPTSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)C(C)C)C2)cc1C ZINC001036362864 1343444404 /nfs/dbraw/zinc/44/44/04/1343444404.db2.gz MSVPLYMDPUXYAY-FUHWJXTLSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)c2ccc[nH]2)cc1C ZINC001036945453 1343886696 /nfs/dbraw/zinc/88/66/96/1343886696.db2.gz YSKYBKXRVQGJPN-IRXDYDNUSA-N 1 0 341.455 3.020 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C3(CF)CC3)C2)cc1C ZINC001047970543 1347428862 /nfs/dbraw/zinc/42/88/62/1347428862.db2.gz WTHUFSBSQDFCMC-NVXWUHKLSA-N 1 0 348.462 3.080 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3C[C@@H]3C)CC2)cc1C ZINC001050286789 1348227164 /nfs/dbraw/zinc/22/71/64/1348227164.db2.gz MGXNGKUDAXASMR-CBVHJVASSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3CCCC3)C[C@@H]2C)cc1C ZINC001054316472 1349306084 /nfs/dbraw/zinc/30/60/84/1349306084.db2.gz UJUTWTWTBIBICE-YJBOKZPZSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC(C)(C)C3)C[C@H]2C)cc1C ZINC001054623141 1349418688 /nfs/dbraw/zinc/41/86/88/1349418688.db2.gz VAZCWKNNKHWXHC-CRAIPNDOSA-N 1 0 344.499 3.376 20 10 EGCDRO CC[N@H+](CCCC(=O)OC)Cc1cc(Br)cc(C)c1O ZINC001233106656 1376570306 /nfs/dbraw/zinc/57/03/06/1376570306.db2.gz KHMJDVKZCCBIBV-UHFFFAOYSA-N 1 0 344.249 3.238 20 10 EGCDRO CCCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001072163065 1355160345 /nfs/dbraw/zinc/16/03/45/1355160345.db2.gz JRSWHFFBIOYQHJ-CRAIPNDOSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC3CC3)C23CCC3)cc1C ZINC001078531291 1356998892 /nfs/dbraw/zinc/99/88/92/1356998892.db2.gz JYNIJHYKUOSSNJ-RBUKOAKNSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3coc(C)c3)C2)cc1C ZINC001086069589 1358986328 /nfs/dbraw/zinc/98/63/28/1358986328.db2.gz BPXISVRNXMXZJU-MAEOIBBWSA-N 1 0 342.439 3.203 20 10 EGCDRO O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001323566096 1387391148 /nfs/dbraw/zinc/39/11/48/1387391148.db2.gz FSZYXPNQTSJBMP-VQHVLOKHSA-N 1 0 338.407 3.346 20 10 EGCDRO OCCC[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccn1 ZINC001323747554 1387441220 /nfs/dbraw/zinc/44/12/20/1387441220.db2.gz BEKOSMSNAHQXAZ-UHFFFAOYSA-N 1 0 325.456 3.066 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001323832636 1387468622 /nfs/dbraw/zinc/46/86/22/1387468622.db2.gz ZFDIVTGIIHNWQJ-DOMZBBRYSA-N 1 0 329.444 3.343 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3cccs3)C2)cc1C ZINC001090909762 1360951896 /nfs/dbraw/zinc/95/18/96/1360951896.db2.gz IAWCMGBQSCNVEM-UHFFFAOYSA-N 1 0 344.480 3.363 20 10 EGCDRO CC[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001093643933 1361666236 /nfs/dbraw/zinc/66/62/36/1361666236.db2.gz UGGVBUXOFMVOSY-YXJHDRRASA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@H]2C)cc1C ZINC001093721957 1361684668 /nfs/dbraw/zinc/68/46/68/1361684668.db2.gz 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EGCDRO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4cc(O)ccc4O)C[C@H]3O2)n1 ZINC001141158113 1378253575 /nfs/dbraw/zinc/25/35/75/1378253575.db2.gz UMVDVFILUZVZKN-JCURWCKSSA-N 1 0 346.452 3.215 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)[C@@H](c2ccccc2)C1 ZINC001141162316 1378254210 /nfs/dbraw/zinc/25/42/10/1378254210.db2.gz PBGPYWLGFPEQQR-CRAIPNDOSA-N 1 0 341.407 3.224 20 10 EGCDRO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)Cc1cc(O)ccc1O ZINC001141162344 1378254385 /nfs/dbraw/zinc/25/43/85/1378254385.db2.gz QDYFVNFEIBLBCU-JXFKEZNVSA-N 1 0 340.467 3.440 20 10 EGCDRO C[N@H+](Cc1cc(O)ccc1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001141162964 1378256682 /nfs/dbraw/zinc/25/66/82/1378256682.db2.gz MSKWRYITYNGQLX-GOSISDBHSA-N 1 0 326.440 3.194 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c1O ZINC001143116821 1378543309 /nfs/dbraw/zinc/54/33/09/1378543309.db2.gz LOPVZQSWTBGHNX-HNNXBMFYSA-N 1 0 327.428 3.133 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c(O)c1 ZINC001144499500 1378738411 /nfs/dbraw/zinc/73/84/11/1378738411.db2.gz HGWZPHPQOLLCBL-UHFFFAOYSA-N 1 0 340.379 3.324 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(Cc3cccc(F)c3)CC2)c(O)c1 ZINC001144514989 1378739578 /nfs/dbraw/zinc/73/95/78/1378739578.db2.gz ABQAAPACAKMISA-UHFFFAOYSA-N 1 0 331.387 3.397 20 10 EGCDRO COc1cccc(CC2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1 ZINC001144515616 1378739973 /nfs/dbraw/zinc/73/99/73/1378739973.db2.gz SQTQKBXUHDQCKT-UHFFFAOYSA-N 1 0 343.423 3.267 20 10 EGCDRO Cn1nnc2cc(C[N@H+](C)Cc3ccc(N4CCCC4)cc3)ccc21 ZINC001144637050 1378753649 /nfs/dbraw/zinc/75/36/49/1378753649.db2.gz FBAXKSNMCXWNKY-UHFFFAOYSA-N 1 0 335.455 3.201 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccc(Cl)cc2)cc1C ZINC001149588678 1379409354 /nfs/dbraw/zinc/40/93/54/1379409354.db2.gz DXWNWKXQSPPJNC-UHFFFAOYSA-N 1 0 346.858 3.106 20 10 EGCDRO Cc1c[nH]c2nc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc12 ZINC001156656507 1380605388 /nfs/dbraw/zinc/60/53/88/1380605388.db2.gz WYYQTDZVQUTQQZ-UHFFFAOYSA-N 1 0 335.455 3.235 20 10 EGCDRO Cc1cc(C(C)C)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156659404 1380605983 /nfs/dbraw/zinc/60/59/83/1380605983.db2.gz LJKLKNWYYVOZCC-UHFFFAOYSA-N 1 0 339.487 3.272 20 10 EGCDRO CCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157209609 1380811089 /nfs/dbraw/zinc/81/10/89/1380811089.db2.gz FRTPHFILKWICBR-CQSZACIVSA-N 1 0 347.463 3.479 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2sccc2F)cc1C ZINC001157513986 1380952551 /nfs/dbraw/zinc/95/25/51/1380952551.db2.gz LWOBBPJXLKDJJF-UHFFFAOYSA-N 1 0 336.432 3.114 20 10 EGCDRO Fc1cccc(Nc2ccc3c(c2)CCCN3)c1N1CC[NH2+]CC1 ZINC001160110237 1382000253 /nfs/dbraw/zinc/00/02/53/1382000253.db2.gz PRPSZXBNRHYMAZ-UHFFFAOYSA-N 1 0 326.419 3.337 20 10 EGCDRO Cc1cccc(CNc2cccc(OCC[NH+]3CCCC3)n2)c1O ZINC001160770146 1382190668 /nfs/dbraw/zinc/19/06/68/1382190668.db2.gz RNIKTDXSEFRAAL-UHFFFAOYSA-N 1 0 327.428 3.182 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C(C)C)CCC[NH2+]C1 ZINC001161135241 1382314982 /nfs/dbraw/zinc/31/49/82/1382314982.db2.gz VVKDUNOYJSMICD-FQEVSTJZSA-N 1 0 331.504 3.127 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)c3ccco3)CC2)cc1C ZINC001163190520 1382988207 /nfs/dbraw/zinc/98/82/07/1382988207.db2.gz GKGNSPKXSSDUGT-UHFFFAOYSA-N 1 0 342.439 3.287 20 10 EGCDRO CCc1ccoc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001165978514 1383373243 /nfs/dbraw/zinc/37/32/43/1383373243.db2.gz ZKFSWGITJXURGA-UHFFFAOYSA-N 1 0 330.428 3.069 20 10 EGCDRO CC[C@@H](F)C(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001166618683 1383448302 /nfs/dbraw/zinc/44/83/02/1383448302.db2.gz TVQHLVVZCXMPRI-MRXNPFEDSA-N 1 0 336.451 3.128 20 10 EGCDRO CCc1nc(Cl)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167426248 1383631357 /nfs/dbraw/zinc/63/13/57/1383631357.db2.gz DGKOXXWUSAKWOG-UHFFFAOYSA-N 1 0 345.878 3.056 20 10 EGCDRO CCCC[NH2+]CC1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001168418595 1383900910 /nfs/dbraw/zinc/90/09/10/1383900910.db2.gz CQWUNEKDVFBDHI-UHFFFAOYSA-N 1 0 345.447 3.139 20 10 EGCDRO CC1(C)NC(=O)Cc2cc(N3C[C@@H](CC[NH3+])c4ccccc43)ccc21 ZINC001168550045 1383934663 /nfs/dbraw/zinc/93/46/63/1383934663.db2.gz XIWSINQMZKXPMJ-CQSZACIVSA-N 1 0 335.451 3.178 20 10 EGCDRO CC[NH+](CC)Cc1cccc(NCC(=O)c2ccc(O)c(O)c2)c1F ZINC001170320498 1384290121 /nfs/dbraw/zinc/29/01/21/1384290121.db2.gz DNCMYYITZKUXNP-UHFFFAOYSA-N 1 0 346.402 3.374 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC001171876713 1384668339 /nfs/dbraw/zinc/66/83/39/1384668339.db2.gz BMUHZQLJZHSITE-LJQANCHMSA-N 1 0 338.451 3.485 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)CCOCc1ccccc1)c1ccc(N(C)C)cc1 ZINC001335822566 1388943407 /nfs/dbraw/zinc/94/34/07/1388943407.db2.gz WFBSTRRCTQJQJC-UTKZUKDTSA-N 1 0 342.483 3.371 20 10 EGCDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001173624001 1384990890 /nfs/dbraw/zinc/99/08/90/1384990890.db2.gz WVRPTIUNFHMTJI-MSOLQXFVSA-N 1 0 330.472 3.498 20 10 EGCDRO Nc1cccc2c1C(=O)c1cccc(Nc3ccc(C[NH3+])cc3)c1C2=O ZINC001175971706 1385448891 /nfs/dbraw/zinc/44/88/91/1385448891.db2.gz KTHPDBCITJMBAE-UHFFFAOYSA-N 1 0 343.386 3.247 20 10 EGCDRO CCCC1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC001319334386 1386065890 /nfs/dbraw/zinc/06/58/90/1386065890.db2.gz RHCDXHYENIJRFJ-UHFFFAOYSA-N 1 0 331.504 3.223 20 10 EGCDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(N3CCCC3)cc2)c[nH]1 ZINC001179338326 1386455603 /nfs/dbraw/zinc/45/56/03/1386455603.db2.gz FIASCQVITBCBMU-QUCCMNQESA-N 1 0 339.439 3.007 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129875 1386706086 /nfs/dbraw/zinc/70/60/86/1386706086.db2.gz LHICBWRSNPJMMX-JIIJFUIFSA-N 1 0 329.488 3.147 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)ccc1O ZINC001321027022 1386786929 /nfs/dbraw/zinc/78/69/29/1386786929.db2.gz ICAHJKPINALYLD-PBHICJAKSA-N 1 0 342.414 3.487 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1O ZINC001181506021 1387006864 /nfs/dbraw/zinc/00/68/64/1387006864.db2.gz NBOMIIGNYIJETB-FOIQADDNSA-N 1 0 327.424 3.174 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC001321905100 1387007408 /nfs/dbraw/zinc/00/74/08/1387007408.db2.gz QPSYTQIYFCRIFW-ZIAGYGMSSA-N 1 0 337.485 3.196 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC001329711397 1389206455 /nfs/dbraw/zinc/20/64/55/1389206455.db2.gz WJCNYISSPZPELV-LLVKDONJSA-N 1 0 326.234 3.346 20 10 EGCDRO Nc1ccc(CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC001337079139 1389249844 /nfs/dbraw/zinc/24/98/44/1389249844.db2.gz WNCMWEYJXZHLHY-UHFFFAOYSA-N 1 0 344.503 3.066 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)CCSCCC[NH3+])cc2)CC1 ZINC001340217205 1390251829 /nfs/dbraw/zinc/25/18/29/1390251829.db2.gz FZLWXZFINNYZJT-UHFFFAOYSA-N 1 0 349.544 3.011 20 10 EGCDRO OCC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC001333907147 1390435443 /nfs/dbraw/zinc/43/54/43/1390435443.db2.gz GFCNSKARIARWEK-GFCCVEGCSA-N 1 0 328.250 3.139 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC001342390444 1390608021 /nfs/dbraw/zinc/60/80/21/1390608021.db2.gz PSXQZFWBKVTWTN-HNNXBMFYSA-N 1 0 343.446 3.134 20 10 EGCDRO COc1c(O)c(C[N@@H+](Cc2ccccn2)CC(C)C)ccc1[N+](=O)[O-] ZINC001335111701 1390643473 /nfs/dbraw/zinc/64/34/73/1390643473.db2.gz DHYGXFGBVVNGIK-UHFFFAOYSA-N 1 0 345.399 3.362 20 10 EGCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001343286397 1390705129 /nfs/dbraw/zinc/70/51/29/1390705129.db2.gz SDTNQOUCLXRVNE-SFHVURJKSA-N 1 0 329.488 3.168 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC001345143873 1390841206 /nfs/dbraw/zinc/84/12/06/1390841206.db2.gz ZAZZMNVWHNIBEY-CABCVRRESA-N 1 0 333.472 3.406 20 10 EGCDRO C[C@H](CC1CCCCC1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001349138195 1391305647 /nfs/dbraw/zinc/30/56/47/1391305647.db2.gz OPDUDPKASGECAL-DNVCBOLYSA-N 1 0 331.504 3.475 20 10 EGCDRO CCOC(=O)COc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC001349568081 1391341680 /nfs/dbraw/zinc/34/16/80/1391341680.db2.gz DTGNCVBINHSZKW-UHFFFAOYSA-N 1 0 349.814 3.277 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(C)s2)cc1C ZINC001752857639 1440235003 /nfs/dbraw/zinc/23/50/03/1440235003.db2.gz SGPNQNWARGDSMM-ZDUSSCGKSA-N 1 0 332.469 3.282 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccoc2C)cc1C ZINC001753001811 1440264935 /nfs/dbraw/zinc/26/49/35/1440264935.db2.gz MKGJKFHKSBYMFH-CQSZACIVSA-N 1 0 330.428 3.203 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2CC(C)(C)C2)cc1C ZINC001753962798 1440526300 /nfs/dbraw/zinc/52/63/00/1440526300.db2.gz YGLMFEJKNVQYAS-OAHLLOKOSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)/C=C/C(C)(C)C)CC2)cc1C ZINC001754510693 1440617496 /nfs/dbraw/zinc/61/74/96/1440617496.db2.gz LKPWZLNKLVNAPF-CMDGGOBGSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC2(C)C)cc1C ZINC001755494531 1440861866 /nfs/dbraw/zinc/86/18/66/1440861866.db2.gz VSDRLUIXHUTXKL-RDJZCZTQSA-N 1 0 332.488 3.424 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000840932972 1126111690 /nfs/dbraw/zinc/11/16/90/1126111690.db2.gz ABDPWTXYCUMQAB-SFHVURJKSA-N 1 0 337.467 3.236 20 10 EGCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000873190653 1126118073 /nfs/dbraw/zinc/11/80/73/1126118073.db2.gz BVKBEYAVPGKHIC-FQEVSTJZSA-N 1 0 329.440 3.101 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1O ZINC000155074437 529681913 /nfs/dbraw/zinc/68/19/13/529681913.db2.gz SGLMEVTXHQATAM-QGZVFWFLSA-N 1 0 328.412 3.331 20 10 EGCDRO Cc1cc(CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)on1 ZINC000022243975 212284707 /nfs/dbraw/zinc/28/47/07/212284707.db2.gz QXIHPEOMMDLWSL-UHFFFAOYSA-N 1 0 337.423 3.160 20 10 EGCDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183169701 455243189 /nfs/dbraw/zinc/24/31/89/455243189.db2.gz HFKDXNBJTRABFL-NVXWUHKLSA-N 1 0 327.424 3.174 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNc3ncccc3F)cc2F)CC1 ZINC000084486228 453991007 /nfs/dbraw/zinc/99/10/07/453991007.db2.gz KLLKFPZJUPTXNR-UHFFFAOYSA-N 1 0 332.398 3.114 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091855745 454481640 /nfs/dbraw/zinc/48/16/40/454481640.db2.gz DYKCNBKTUZJOLJ-RBUKOAKNSA-N 1 0 332.513 3.383 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1O ZINC000093842189 454739490 /nfs/dbraw/zinc/73/94/90/454739490.db2.gz WEJNMUXLOMBBHH-GOSISDBHSA-N 1 0 349.471 3.341 20 10 EGCDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000162041172 454748129 /nfs/dbraw/zinc/74/81/29/454748129.db2.gz CIUMAJQQOUGLBM-BMIPRAEKSA-N 1 0 348.462 3.126 20 10 EGCDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770572 454835958 /nfs/dbraw/zinc/83/59/58/454835958.db2.gz VNTPKWONUGBOFC-CQSZACIVSA-N 1 0 330.403 3.183 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000175707268 455484978 /nfs/dbraw/zinc/48/49/78/455484978.db2.gz QCEQWRLGIAJQJQ-QGZVFWFLSA-N 1 0 334.435 3.184 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CSCCS3)CC2)cc1 ZINC000165749243 454903718 /nfs/dbraw/zinc/90/37/18/454903718.db2.gz ZZUNJIBXYWTUGV-KRWDZBQOSA-N 1 0 338.542 3.102 20 10 EGCDRO CCCCNC(=O)C1([NH2+]Cc2cccc(OC)c2O)CCCCC1 ZINC000154628853 454914629 /nfs/dbraw/zinc/91/46/29/454914629.db2.gz OTTLJBYUZNMHAE-UHFFFAOYSA-N 1 0 334.460 3.110 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000178712364 454968117 /nfs/dbraw/zinc/96/81/17/454968117.db2.gz PCUDCKBLJDVRPN-AYHJJNSGSA-N 1 0 329.488 3.070 20 10 EGCDRO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C)ccc1O ZINC000178857228 454985172 /nfs/dbraw/zinc/98/51/72/454985172.db2.gz SCYQSBWLHUSSQB-UHFFFAOYSA-N 1 0 328.412 3.170 20 10 EGCDRO Cn1ccnc1COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000171925607 455102926 /nfs/dbraw/zinc/10/29/26/455102926.db2.gz IKWVGQRLQQGPNE-UHFFFAOYSA-N 1 0 337.423 3.337 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000180316150 455157221 /nfs/dbraw/zinc/15/72/21/455157221.db2.gz CKIAYLIRBAMINM-IUODEOHRSA-N 1 0 340.261 3.464 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(Br)ccc1O ZINC000189289056 455170715 /nfs/dbraw/zinc/17/07/15/455170715.db2.gz SJURUNQPXFXZEC-OSMZGAPFSA-N 1 0 328.250 3.356 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)c1O ZINC000237382528 455180009 /nfs/dbraw/zinc/18/00/09/455180009.db2.gz OVJZVBUINPIJCV-INIZCTEOSA-N 1 0 330.428 3.229 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1 ZINC000189463196 455200796 /nfs/dbraw/zinc/20/07/96/455200796.db2.gz BWZAGROMXPPZOJ-UHFFFAOYSA-N 1 0 329.410 3.117 20 10 EGCDRO OCC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182978907 455202662 /nfs/dbraw/zinc/20/26/62/455202662.db2.gz QFJHABLQINWTQQ-UHFFFAOYSA-N 1 0 327.424 3.176 20 10 EGCDRO CN(Cc1ncc(Cl)n1C)Cc1cc(Br)ccc1O ZINC000181139994 455293816 /nfs/dbraw/zinc/29/38/16/455293816.db2.gz REHZLNLFWQVAOF-UHFFFAOYSA-N 1 0 344.640 3.174 20 10 EGCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2)c1 ZINC000183543677 455304420 /nfs/dbraw/zinc/30/44/20/455304420.db2.gz OLHKMWYPYFGUCB-GJZGRUSLSA-N 1 0 342.439 3.339 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000185068870 455495610 /nfs/dbraw/zinc/49/56/10/455495610.db2.gz YHUSBZXCRYPHIT-OAHLLOKOSA-N 1 0 341.455 3.111 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc(Br)ccc1O ZINC000185122015 455506211 /nfs/dbraw/zinc/50/62/11/455506211.db2.gz KNAWFDPDMVQYPT-GPNNCHTKSA-N 1 0 348.240 3.464 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccccc1O ZINC000185208686 455521301 /nfs/dbraw/zinc/52/13/01/455521301.db2.gz LCRMRRKCRYZHDM-CRAIPNDOSA-N 1 0 341.455 3.253 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3c(cccc3OC)C2)c1 ZINC000185334658 455542504 /nfs/dbraw/zinc/54/25/04/455542504.db2.gz YPECAXHKOOUJDH-OCCSQVGLSA-N 1 0 329.396 3.064 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185442538 455558935 /nfs/dbraw/zinc/55/89/35/455558935.db2.gz ZHBZQHXYLXDUDY-STQMWFEESA-N 1 0 336.432 3.061 20 10 EGCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cc(O)cc(F)c3)cc2)CC1 ZINC000185488152 455566195 /nfs/dbraw/zinc/56/61/95/455566195.db2.gz ZPJUYJUJSRNSMF-UHFFFAOYSA-N 1 0 344.430 3.030 20 10 EGCDRO C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)CN1CCOCC1 ZINC000185505093 455569240 /nfs/dbraw/zinc/56/92/40/455569240.db2.gz YLQUIWSEUOXPPF-HZPDHXFCSA-N 1 0 328.456 3.164 20 10 EGCDRO C[C@@H](CCNC(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000182703154 455571982 /nfs/dbraw/zinc/57/19/82/455571982.db2.gz UJUCNEOFGSSSBT-KRWDZBQOSA-N 1 0 346.519 3.159 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(C)(C)n2cncn2)cc1F ZINC000284301343 455665875 /nfs/dbraw/zinc/66/58/75/455665875.db2.gz YQHJXRJRXKKGCG-CQSZACIVSA-N 1 0 333.455 3.177 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271572027 455688304 /nfs/dbraw/zinc/68/83/04/455688304.db2.gz YZUAYUIYKIDKCL-RDJZCZTQSA-N 1 0 348.462 3.415 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)N(C)C)c1 ZINC000192865525 455708032 /nfs/dbraw/zinc/70/80/32/455708032.db2.gz NIXNCWYHKCKCSL-IFXJQAMLSA-N 1 0 344.455 3.363 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1 ZINC000268871168 455717176 /nfs/dbraw/zinc/71/71/76/455717176.db2.gz GFRNPUBDMIRGOA-CGTJXYLNSA-N 1 0 331.504 3.440 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1C ZINC000284670472 455723165 /nfs/dbraw/zinc/72/31/65/455723165.db2.gz HPHVJOSAEOZOKU-LPHOPBHVSA-N 1 0 329.444 3.401 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(C)nc(N2CCCC2)n1)c1ccccc1O ZINC000293351988 455783018 /nfs/dbraw/zinc/78/30/18/455783018.db2.gz HAIHWDLFQFZXMV-QGZVFWFLSA-N 1 0 326.444 3.332 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1O ZINC000271856165 455788152 /nfs/dbraw/zinc/78/81/52/455788152.db2.gz UXMFRJNVOBNEEN-ZDUSSCGKSA-N 1 0 336.233 3.353 20 10 EGCDRO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000271862973 455791321 /nfs/dbraw/zinc/79/13/21/455791321.db2.gz ZFQZHDCDEXMAHT-CQSZACIVSA-N 1 0 329.444 3.233 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1O ZINC000271871474 455794287 /nfs/dbraw/zinc/79/42/87/455794287.db2.gz XXGDPNRDQPZONK-YEORSEQZSA-N 1 0 328.250 3.104 20 10 EGCDRO CS(=O)(=O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293710418 455794504 /nfs/dbraw/zinc/79/45/04/455794504.db2.gz LWBRDSVFQWGGNS-GOSISDBHSA-N 1 0 347.480 3.090 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000293723017 455796099 /nfs/dbraw/zinc/79/60/99/455796099.db2.gz PRSHGCYDHCTABQ-UONOGXRCSA-N 1 0 330.403 3.469 20 10 EGCDRO Cc1nnsc1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000293800447 455798414 /nfs/dbraw/zinc/79/84/14/455798414.db2.gz UYDGZSAFVIJPPF-MRVPVSSYSA-N 1 0 342.262 3.474 20 10 EGCDRO COC1(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000293840600 455798646 /nfs/dbraw/zinc/79/86/46/455798646.db2.gz XUBIKVFKGWHGMA-HNNXBMFYSA-N 1 0 336.451 3.272 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293951869 455801509 /nfs/dbraw/zinc/80/15/09/455801509.db2.gz PBOWIOKAVSFSNJ-UHFFFAOYSA-N 1 0 341.451 3.317 20 10 EGCDRO COC[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)OC ZINC000294360314 455812863 /nfs/dbraw/zinc/81/28/63/455812863.db2.gz QJBHEDAQDJFSPX-IEBWSBKVSA-N 1 0 329.440 3.317 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000269244129 455820888 /nfs/dbraw/zinc/82/08/88/455820888.db2.gz ZEJUCEXHTJZZDP-SGTLLEGYSA-N 1 0 329.419 3.043 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000285338087 455826299 /nfs/dbraw/zinc/82/62/99/455826299.db2.gz UPGVJPFWLJHJDL-HNNXBMFYSA-N 1 0 330.428 3.381 20 10 EGCDRO CC(=O)NCCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294901704 455831094 /nfs/dbraw/zinc/83/10/94/455831094.db2.gz ZGHNUOHONSXGCS-UHFFFAOYSA-N 1 0 331.485 3.000 20 10 EGCDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000278815662 455849026 /nfs/dbraw/zinc/84/90/26/455849026.db2.gz SDUCFAKWZWBWRX-GOSISDBHSA-N 1 0 343.515 3.192 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)cc2)CC1 ZINC000295424616 455849128 /nfs/dbraw/zinc/84/91/28/455849128.db2.gz ULQQCWXKPWCZRL-JXFKEZNVSA-N 1 0 332.488 3.301 20 10 EGCDRO CCC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1ccccc1O ZINC000295489960 455850532 /nfs/dbraw/zinc/85/05/32/455850532.db2.gz XPUOJYYARDGCDD-UHFFFAOYSA-N 1 0 326.396 3.135 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)NC(C)C)c1O ZINC000186984395 455859422 /nfs/dbraw/zinc/85/94/22/455859422.db2.gz KWOBCCHKVREVPE-NSHDSACASA-N 1 0 343.265 3.028 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)cc1F ZINC000194590832 455862281 /nfs/dbraw/zinc/86/22/81/455862281.db2.gz FDUDAADETDRKGO-UHFFFAOYSA-N 1 0 347.478 3.163 20 10 EGCDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279956693 455878979 /nfs/dbraw/zinc/87/89/79/455878979.db2.gz OWVLCIXDLQYTHJ-GFCCVEGCSA-N 1 0 326.366 3.146 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000280189326 455912322 /nfs/dbraw/zinc/91/23/22/455912322.db2.gz SERRVCMXXSLCSN-SNVBAGLBSA-N 1 0 343.445 3.237 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)s1 ZINC000280490545 455982210 /nfs/dbraw/zinc/98/22/10/455982210.db2.gz FFHTVSWFEWRWAO-UHFFFAOYSA-N 1 0 339.482 3.154 20 10 EGCDRO Cn1c2cccc(F)c2nc1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296746380 456028040 /nfs/dbraw/zinc/02/80/40/456028040.db2.gz JOEYYCPYOOGXDI-AWEZNQCLSA-N 1 0 325.387 3.238 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693282 456041813 /nfs/dbraw/zinc/04/18/13/456041813.db2.gz XHYRWLFMDCDHJE-HUUCEWRRSA-N 1 0 334.460 3.436 20 10 EGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)ccc21 ZINC000287675445 456074704 /nfs/dbraw/zinc/07/47/04/456074704.db2.gz MKLWTJAAZWQPGH-GOEBONIOSA-N 1 0 328.378 3.269 20 10 EGCDRO COc1cc(OC)cc(OCC[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297021886 456095014 /nfs/dbraw/zinc/09/50/14/456095014.db2.gz UHTVFOKCULATGY-QGZVFWFLSA-N 1 0 329.396 3.065 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000281008566 456108139 /nfs/dbraw/zinc/10/81/39/456108139.db2.gz YJOFVPPMCVAKAU-IHPCNDPISA-N 1 0 346.515 3.363 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)c1O ZINC000272922753 456114261 /nfs/dbraw/zinc/11/42/61/456114261.db2.gz JATOXUUTNPRAEP-UHFFFAOYSA-N 1 0 331.391 3.145 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)cc1 ZINC000271093064 456123395 /nfs/dbraw/zinc/12/33/95/456123395.db2.gz XDMFFWDUGGYFTA-UHFFFAOYSA-N 1 0 331.504 3.269 20 10 EGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000273018776 456148008 /nfs/dbraw/zinc/14/80/08/456148008.db2.gz DHLUUSCBASOPEH-NEPJUHHUSA-N 1 0 328.250 3.450 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000281358422 456211711 /nfs/dbraw/zinc/21/17/11/456211711.db2.gz UUGOEIHDLIAVCC-UHFFFAOYSA-N 1 0 330.281 3.157 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)c1 ZINC000273381850 456226834 /nfs/dbraw/zinc/22/68/34/456226834.db2.gz IIGKPIBBUKOGAG-GFCCVEGCSA-N 1 0 347.411 3.277 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000273414890 456228178 /nfs/dbraw/zinc/22/81/78/456228178.db2.gz QQEUBYQGHVAEEM-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c(O)c1C ZINC000273411806 456228896 /nfs/dbraw/zinc/22/88/96/456228896.db2.gz PUPUVKLNDJJXCO-HNNXBMFYSA-N 1 0 328.460 3.220 20 10 EGCDRO C[NH2+]CC1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000237076284 456229350 /nfs/dbraw/zinc/22/93/50/456229350.db2.gz VDCOPMKPOKNNMM-UHFFFAOYSA-N 1 0 325.456 3.166 20 10 EGCDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000273441960 456231908 /nfs/dbraw/zinc/23/19/08/456231908.db2.gz YVZBHMPJFZAZQC-OAHLLOKOSA-N 1 0 342.439 3.066 20 10 EGCDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Br)ccc1O ZINC000273502174 456234445 /nfs/dbraw/zinc/23/44/45/456234445.db2.gz QKLDKJMHCCJQAN-RDDDGLTNSA-N 1 0 342.155 3.119 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c(O)c1C ZINC000273562955 456239439 /nfs/dbraw/zinc/23/94/39/456239439.db2.gz IQJVVZOSIHQJMS-HNNXBMFYSA-N 1 0 342.439 3.185 20 10 EGCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCC[NH3+])cc1 ZINC000237247486 456253161 /nfs/dbraw/zinc/25/31/61/456253161.db2.gz GQGIXERJKCLFSK-UHFFFAOYSA-N 1 0 341.455 3.033 20 10 EGCDRO CC[C@@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000298241134 456400545 /nfs/dbraw/zinc/40/05/45/456400545.db2.gz LVDBMMGJQIPKEM-IBGZPJMESA-N 1 0 343.471 3.215 20 10 EGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000282178849 456433971 /nfs/dbraw/zinc/43/39/71/456433971.db2.gz FMZHHDJCJBLIAX-SMDDNHRTSA-N 1 0 328.250 3.462 20 10 EGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)[C@H](C)C1 ZINC000282178838 456434783 /nfs/dbraw/zinc/43/47/83/456434783.db2.gz FMZHHDJCJBLIAX-BXUZGUMPSA-N 1 0 328.250 3.462 20 10 EGCDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c(F)ccc(O)c1O ZINC000276629541 456535220 /nfs/dbraw/zinc/53/52/20/456535220.db2.gz SMANISCWLIMRIN-UHFFFAOYSA-N 1 0 346.402 3.007 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1C ZINC000282881733 456653831 /nfs/dbraw/zinc/65/38/31/456653831.db2.gz CRUVPLMOQFYNGN-GOSISDBHSA-N 1 0 339.439 3.400 20 10 EGCDRO CCCN(Cc1ccccc1O)Cc1c(Cl)ncnc1N(C)C ZINC000283023599 456692356 /nfs/dbraw/zinc/69/23/56/456692356.db2.gz HBSVFFOASBMFSQ-UHFFFAOYSA-N 1 0 334.851 3.314 20 10 EGCDRO Cc1cc(C(=O)N2CCC(c3ncc[nH]3)CC2)c(C)n1-c1ccccn1 ZINC000299693604 456765329 /nfs/dbraw/zinc/76/53/29/456765329.db2.gz XBLVEMBNQJPOGK-UHFFFAOYSA-N 1 0 349.438 3.232 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cn(C(C)C)nc3C)CC2)cc1 ZINC000374228125 457531448 /nfs/dbraw/zinc/53/14/48/457531448.db2.gz FSMLLWWWMWTHRO-UHFFFAOYSA-N 1 0 342.487 3.493 20 10 EGCDRO O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000361070982 457562475 /nfs/dbraw/zinc/56/24/75/457562475.db2.gz ZIDBLQOYBVAZJY-LJQANCHMSA-N 1 0 340.398 3.479 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cnn(C)c3C)CC2)cc1 ZINC000370671302 457697183 /nfs/dbraw/zinc/69/71/83/457697183.db2.gz PMADELAZDDAMHH-AWEZNQCLSA-N 1 0 328.460 3.057 20 10 EGCDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)c(O)c1 ZINC000366265984 457803201 /nfs/dbraw/zinc/80/32/01/457803201.db2.gz HMOJIZIBZNMECQ-UHFFFAOYSA-N 1 0 345.349 3.359 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(F)cc1[O-] ZINC000367596192 457965927 /nfs/dbraw/zinc/96/59/27/457965927.db2.gz FMMQRFSONPTDQP-QGZVFWFLSA-N 1 0 326.375 3.353 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ncc[nH]1 ZINC000367754358 457979412 /nfs/dbraw/zinc/97/94/12/457979412.db2.gz MSFVYXHROKZINN-GFCCVEGCSA-N 1 0 336.386 3.331 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCc3ccc(O)cc3)CC2)cc1 ZINC000371975016 458145475 /nfs/dbraw/zinc/14/54/75/458145475.db2.gz SANDNLWSAWMZHK-UHFFFAOYSA-N 1 0 326.440 3.202 20 10 EGCDRO Oc1ccc(F)cc1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000369661680 458306404 /nfs/dbraw/zinc/30/64/04/458306404.db2.gz CQUXMWVMCGYJTD-UHFFFAOYSA-N 1 0 333.378 3.240 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1O ZINC000372603500 458308920 /nfs/dbraw/zinc/30/89/20/458308920.db2.gz ZXNOZMLKCUDLAM-GOSISDBHSA-N 1 0 326.440 3.107 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000578064588 459140488 /nfs/dbraw/zinc/14/04/88/459140488.db2.gz LXOBQUHXBKVRQI-OAHLLOKOSA-N 1 0 344.480 3.216 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000571893164 459573954 /nfs/dbraw/zinc/57/39/54/459573954.db2.gz SQVGIIYGWVXZFC-UHFFFAOYSA-N 1 0 334.423 3.412 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000527842036 459755747 /nfs/dbraw/zinc/75/57/47/459755747.db2.gz UBSUNBBDJWYILO-IBGZPJMESA-N 1 0 328.412 3.435 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC23CC(C2)CO3)c1O ZINC000527981155 459787266 /nfs/dbraw/zinc/78/72/66/459787266.db2.gz OTUMVMMNQJOIGH-RWWNRMGGSA-N 1 0 326.234 3.293 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC12CC(C1)CO2 ZINC000529663800 459832687 /nfs/dbraw/zinc/83/26/87/459832687.db2.gz SOALCFFNVWSMAZ-UHFFFAOYSA-N 1 0 325.408 3.240 20 10 EGCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000726237802 574546837 /nfs/dbraw/zinc/54/68/37/574546837.db2.gz MVWMLQZOSJLECS-CRAIPNDOSA-N 1 0 339.439 3.027 20 10 EGCDRO C[C@@H](CC[NH+](C)C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000726246371 574547371 /nfs/dbraw/zinc/54/73/71/574547371.db2.gz CVGVMNJHKKBNEM-HNNXBMFYSA-N 1 0 345.443 3.037 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@H+](CC)C(C)C)cc1 ZINC000726706677 574567363 /nfs/dbraw/zinc/56/73/63/574567363.db2.gz FZGLWIGAMRQUKQ-UHFFFAOYSA-N 1 0 334.508 3.062 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1C ZINC000727830954 574692818 /nfs/dbraw/zinc/69/28/18/574692818.db2.gz YAINEKAWFQXVSR-GOSISDBHSA-N 1 0 329.440 3.353 20 10 EGCDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1=CC(=O)CS1 ZINC000731872332 575214401 /nfs/dbraw/zinc/21/44/01/575214401.db2.gz FNTNINCNQDBXOB-LBPRGKRZSA-N 1 0 336.482 3.157 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000733330779 575328820 /nfs/dbraw/zinc/32/88/20/575328820.db2.gz MKJHLLOEJDJIDG-OAQYLSRUSA-N 1 0 345.531 3.266 20 10 EGCDRO OC[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccc(F)cc1 ZINC000734850952 575560702 /nfs/dbraw/zinc/56/07/02/575560702.db2.gz SOQGTHDKOXIJGC-CQSZACIVSA-N 1 0 340.192 3.117 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000741678129 576710467 /nfs/dbraw/zinc/71/04/67/576710467.db2.gz KKANUQWGAHGCPO-INIZCTEOSA-N 1 0 331.504 3.412 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)cc1 ZINC000741752925 576717178 /nfs/dbraw/zinc/71/71/78/576717178.db2.gz IVOHZRZJZVEDAR-UHFFFAOYSA-N 1 0 325.456 3.134 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)ccc1N1CCCCC1 ZINC000742372163 576774705 /nfs/dbraw/zinc/77/47/05/576774705.db2.gz ISQBFMCJERXFQQ-RDJZCZTQSA-N 1 0 347.459 3.226 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000742377276 576776330 /nfs/dbraw/zinc/77/63/30/576776330.db2.gz RCAYOEHEOAQSKX-GDBMZVCRSA-N 1 0 333.432 3.100 20 10 EGCDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000744450245 576828818 /nfs/dbraw/zinc/82/88/18/576828818.db2.gz PLXDWQUWYHGNII-UHFFFAOYSA-N 1 0 344.249 3.366 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820926012 606999374 /nfs/dbraw/zinc/99/93/74/606999374.db2.gz OSLLSWMMRZDPJA-SFHVURJKSA-N 1 0 336.443 3.174 20 10 EGCDRO Cc1cccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1O ZINC000826298146 608581449 /nfs/dbraw/zinc/58/14/49/608581449.db2.gz GDXLLOQGWUCLHM-UHFFFAOYSA-N 1 0 337.427 3.291 20 10 EGCDRO CN(C)C1(C[NH2+]Cc2ccc(Br)cc2O)CCCC1 ZINC000691490373 1298134155 /nfs/dbraw/zinc/13/41/55/1298134155.db2.gz WSOLONWWVVFIKB-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000691684007 1298136097 /nfs/dbraw/zinc/13/60/97/1298136097.db2.gz UTWYOWWLAHBTTB-GFCCVEGCSA-N 1 0 328.250 3.403 20 10 EGCDRO CC(C)[NH+](CCNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000043065020 1291452029 /nfs/dbraw/zinc/45/20/29/1291452029.db2.gz MHMLBYUTTNWQEO-UHFFFAOYSA-N 1 0 334.508 3.013 20 10 EGCDRO C[C@H](C[NH2+]Cc1cccc(Br)c1[O-])C[NH+]1CCCCC1 ZINC000048797562 1291618336 /nfs/dbraw/zinc/61/83/36/1291618336.db2.gz HAIVQMTYHHMXQE-CYBMUJFWSA-N 1 0 341.293 3.366 20 10 EGCDRO CC[N@H+](CCOc1ccccc1OC)Cc1cc(OC)ccc1O ZINC000827762221 1292368623 /nfs/dbraw/zinc/36/86/23/1292368623.db2.gz CLCJEUHBTPDMAW-UHFFFAOYSA-N 1 0 331.412 3.310 20 10 EGCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000827821172 1292381834 /nfs/dbraw/zinc/38/18/34/1292381834.db2.gz QTYULBDFDIEIJT-KXBFYZLASA-N 1 0 329.488 3.070 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)cc1)C1CCCCC1 ZINC000827820930 1292382078 /nfs/dbraw/zinc/38/20/78/1292382078.db2.gz HHTHGIWJFGTLHX-GOSISDBHSA-N 1 0 329.488 3.070 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCOC(C)(C)C3)cc2)CC1 ZINC000827851550 1292388564 /nfs/dbraw/zinc/38/85/64/1292388564.db2.gz DZIBTLMKPPQAEY-UHFFFAOYSA-N 1 0 332.488 3.303 20 10 EGCDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828846299 1292507531 /nfs/dbraw/zinc/50/75/31/1292507531.db2.gz DNUQLZXOULYNIJ-ZWKOTPCHSA-N 1 0 329.488 3.119 20 10 EGCDRO COC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H](C)O1 ZINC000829113504 1292542753 /nfs/dbraw/zinc/54/27/53/1292542753.db2.gz JJQRRGFWNQMHJG-MJGOQNOKSA-N 1 0 332.488 3.221 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085425593 1292721069 /nfs/dbraw/zinc/72/10/69/1292721069.db2.gz QIBXRXWPPHCHMV-OAHLLOKOSA-N 1 0 335.492 3.290 20 10 EGCDRO Cc1noc(C)c1C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000091812434 1292843067 /nfs/dbraw/zinc/84/30/67/1292843067.db2.gz ASRZHPUSDYSYQA-UHFFFAOYSA-N 1 0 325.206 3.392 20 10 EGCDRO CC(C)c1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832284365 1292981708 /nfs/dbraw/zinc/98/17/08/1292981708.db2.gz JPZPFLVKEMBRET-IBGZPJMESA-N 1 0 325.456 3.306 20 10 EGCDRO CCC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832284377 1292981950 /nfs/dbraw/zinc/98/19/50/1292981950.db2.gz JXVJYEUYRNMHGG-WOJBJXKFSA-N 1 0 339.483 3.453 20 10 EGCDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1Cl ZINC000832284351 1292982261 /nfs/dbraw/zinc/98/22/61/1292982261.db2.gz JGHVNSCCEJEXOB-OAHLLOKOSA-N 1 0 349.837 3.283 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000104192860 1293020041 /nfs/dbraw/zinc/02/00/41/1293020041.db2.gz GPWZQWKTLZZBIC-HNNXBMFYSA-N 1 0 331.485 3.322 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC000104187960 1293020069 /nfs/dbraw/zinc/02/00/69/1293020069.db2.gz WMKOFVBNDIHIPG-KRWDZBQOSA-N 1 0 325.456 3.084 20 10 EGCDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)c(C)n1-c1ccccn1 ZINC000104529165 1293025180 /nfs/dbraw/zinc/02/51/80/1293025180.db2.gz IOTKPDOBCHARPO-UHFFFAOYSA-N 1 0 342.487 3.149 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c(C)n1-c1ccccn1 ZINC000105318611 1293031847 /nfs/dbraw/zinc/03/18/47/1293031847.db2.gz XBMKZJLVLHOLJT-QGZVFWFLSA-N 1 0 342.487 3.195 20 10 EGCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000834522426 1293109704 /nfs/dbraw/zinc/10/97/04/1293109704.db2.gz CTZYKGOUVZZXTL-NVXWUHKLSA-N 1 0 331.504 3.303 20 10 EGCDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1c1ccccc1Cl ZINC000834645882 1293126916 /nfs/dbraw/zinc/12/69/16/1293126916.db2.gz PLYXCVHECZCSLG-LSDHHAIUSA-N 1 0 342.826 3.428 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)c2c1c(F)ccc2O ZINC000834828091 1293154911 /nfs/dbraw/zinc/15/49/11/1293154911.db2.gz OTDVEJGPDYIDPV-WPGHFRTFSA-N 1 0 333.378 3.412 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c(O)c1C ZINC000834836250 1293155566 /nfs/dbraw/zinc/15/55/66/1293155566.db2.gz LOWFNMVCKNUFLA-FHERZECASA-N 1 0 339.501 3.263 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(C)cc1O ZINC000834912003 1293174952 /nfs/dbraw/zinc/17/49/52/1293174952.db2.gz PDWWEOONCHJSEB-HOCLYGCPSA-N 1 0 327.428 3.472 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)NCCc1ccccc1 ZINC000834913483 1293175547 /nfs/dbraw/zinc/17/55/47/1293175547.db2.gz HLQMVIVSJLFPAX-UONOGXRCSA-N 1 0 346.858 3.444 20 10 EGCDRO COCCOC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000116869058 1293211573 /nfs/dbraw/zinc/21/15/73/1293211573.db2.gz OUWNWDCEUCXTKC-UHFFFAOYSA-N 1 0 337.460 3.023 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)c1cc(OC)ccc1OC)c1ccccc1O ZINC000121082173 1293354490 /nfs/dbraw/zinc/35/44/90/1293354490.db2.gz VDCSZVCQTNVEDM-AEFFLSMTSA-N 1 0 331.412 3.184 20 10 EGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000123204269 1293436581 /nfs/dbraw/zinc/43/65/81/1293436581.db2.gz KRGFBBLEPOTGFA-UHFFFAOYSA-N 1 0 349.494 3.362 20 10 EGCDRO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000125859300 1293518977 /nfs/dbraw/zinc/51/89/77/1293518977.db2.gz QRGJXXIDLNYKAZ-GOSISDBHSA-N 1 0 339.483 3.310 20 10 EGCDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC000128909957 1293607105 /nfs/dbraw/zinc/60/71/05/1293607105.db2.gz GVKJUJZSRLDPED-LLVKDONJSA-N 1 0 348.790 3.035 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000129783967 1293634248 /nfs/dbraw/zinc/63/42/48/1293634248.db2.gz JWNAWFGAMZRNQV-OXQOHEQNSA-N 1 0 332.488 3.115 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)c(C)n1-c1cccc(Cl)c1 ZINC000130138911 1293646449 /nfs/dbraw/zinc/64/64/49/1293646449.db2.gz MKBBAWYMOWFVQM-HNNXBMFYSA-N 1 0 345.874 3.477 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000132063804 1293707997 /nfs/dbraw/zinc/70/79/97/1293707997.db2.gz DFWVRYHFWWIFPZ-KRWDZBQOSA-N 1 0 348.240 3.078 20 10 EGCDRO CC(C)COC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000151915591 1293944405 /nfs/dbraw/zinc/94/44/05/1293944405.db2.gz IKRYWQPYWOWDRJ-UHFFFAOYSA-N 1 0 333.476 3.099 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1C(C)C ZINC000154977315 1294079073 /nfs/dbraw/zinc/07/90/73/1294079073.db2.gz MDBJCJRHJMQBEW-INIZCTEOSA-N 1 0 328.460 3.328 20 10 EGCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160045574 1294255661 /nfs/dbraw/zinc/25/56/61/1294255661.db2.gz RSFGHTIYJOBAEZ-HOTGVXAUSA-N 1 0 348.487 3.226 20 10 EGCDRO CN(C)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000160204299 1294262167 /nfs/dbraw/zinc/26/21/67/1294262167.db2.gz LKIMIIMKHRTJOK-GOSISDBHSA-N 1 0 341.455 3.034 20 10 EGCDRO COc1cc(OC)c(OC)cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000163369133 1294332223 /nfs/dbraw/zinc/33/22/23/1294332223.db2.gz XGSSSIQXSMWDQG-UHFFFAOYSA-N 1 0 344.455 3.410 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)cc1 ZINC000165071426 1294355687 /nfs/dbraw/zinc/35/56/87/1294355687.db2.gz VRQXZKJBRPIFLX-MRXNPFEDSA-N 1 0 331.504 3.442 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000177944715 1294705148 /nfs/dbraw/zinc/70/51/48/1294705148.db2.gz PKCLVAZMWAGCCI-UZLBHIALSA-N 1 0 339.483 3.498 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000178712701 1294752456 /nfs/dbraw/zinc/75/24/56/1294752456.db2.gz ITSBGZDJTUSKNE-FQEVSTJZSA-N 1 0 337.467 3.036 20 10 EGCDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)c1ccccc1 ZINC000180027366 1294854861 /nfs/dbraw/zinc/85/48/61/1294854861.db2.gz BFIFZUHAAGNGCA-HNNXBMFYSA-N 1 0 342.414 3.173 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181922368 1295006839 /nfs/dbraw/zinc/00/68/39/1295006839.db2.gz SASDZUSQZWHBJF-IBGZPJMESA-N 1 0 327.424 3.234 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 ZINC000182371755 1295040711 /nfs/dbraw/zinc/04/07/11/1295040711.db2.gz RVCLRWQKXHOTEK-JKIFEVAISA-N 1 0 334.460 3.089 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)CCCC(C)C)c1 ZINC000182382465 1295041730 /nfs/dbraw/zinc/04/17/30/1295041730.db2.gz MUTUAAPRZKZRAN-HUUCEWRRSA-N 1 0 336.476 3.382 20 10 EGCDRO Cc1cccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000183716022 1295139678 /nfs/dbraw/zinc/13/96/78/1295139678.db2.gz BQRLBBLAVATPSU-KRWDZBQOSA-N 1 0 339.483 3.336 20 10 EGCDRO CC1CC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000184285184 1295186739 /nfs/dbraw/zinc/18/67/39/1295186739.db2.gz PSARSTLCMZUNPB-UHFFFAOYSA-N 1 0 328.378 3.430 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1O ZINC000184811073 1295219169 /nfs/dbraw/zinc/21/91/69/1295219169.db2.gz UHTHQCDRJHDLCH-HXUWFJFHSA-N 1 0 325.408 3.341 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c1 ZINC000184981686 1295233326 /nfs/dbraw/zinc/23/33/26/1295233326.db2.gz ZZIQRCPSRQBIGZ-CQSZACIVSA-N 1 0 330.403 3.229 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185966384 1295296011 /nfs/dbraw/zinc/29/60/11/1295296011.db2.gz WKIHOIFRASEKRW-AWEZNQCLSA-N 1 0 328.412 3.389 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)cc1OC ZINC000186456211 1295329195 /nfs/dbraw/zinc/32/91/95/1295329195.db2.gz ICHIVVNNMCEHEJ-VBKZILBWSA-N 1 0 344.455 3.190 20 10 EGCDRO Cc1cc(C(=O)CN2CC[C@H](O)[C@H](C)C2)c(C)n1-c1ccc(C)cc1 ZINC000186791851 1295351558 /nfs/dbraw/zinc/35/15/58/1295351558.db2.gz TUPUQJKUAJJYPB-QRWLVFNGSA-N 1 0 340.467 3.288 20 10 EGCDRO COC(=O)[C@](C)(C[NH2+]Cc1cc(C)c(C)cc1O)c1ccccc1 ZINC000191580416 1295692098 /nfs/dbraw/zinc/69/20/98/1295692098.db2.gz VDZDHGKVWWDIGR-HXUWFJFHSA-N 1 0 327.424 3.230 20 10 EGCDRO C[C@](CO)([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000227212974 1296141736 /nfs/dbraw/zinc/14/17/36/1296141736.db2.gz RXHBBFMQNSLKID-MRXNPFEDSA-N 1 0 336.229 3.152 20 10 EGCDRO CN(C)[C@H](C[NH2+]Cc1cc(Br)ccc1O)c1ccco1 ZINC000227434379 1296143575 /nfs/dbraw/zinc/14/35/75/1296143575.db2.gz RSTCCXVFNMRGGR-CYBMUJFWSA-N 1 0 339.233 3.140 20 10 EGCDRO C[NH2+][C@H](C)Cc1noc(-c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000261705852 1296599515 /nfs/dbraw/zinc/59/95/15/1296599515.db2.gz IKSJWLBSVYJZFP-LLVKDONJSA-N 1 0 328.391 3.434 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000305567590 1297016371 /nfs/dbraw/zinc/01/63/71/1297016371.db2.gz DAMUPANJQURUQM-TZMCWYRMSA-N 1 0 332.444 3.458 20 10 EGCDRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2O)CCCN1C(=O)OC(C)(C)C ZINC000310044016 1297084035 /nfs/dbraw/zinc/08/40/35/1297084035.db2.gz WMHBHYNCXWRXTN-IUODEOHRSA-N 1 0 338.423 3.409 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000327160758 1297244799 /nfs/dbraw/zinc/24/47/99/1297244799.db2.gz HRWPFBNGNSYPMD-OXJNMPFZSA-N 1 0 339.483 3.437 20 10 EGCDRO CCOC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(C)C ZINC000873113367 1297276336 /nfs/dbraw/zinc/27/63/36/1297276336.db2.gz ZJVNWRBAHNCEJT-GOSISDBHSA-N 1 0 331.460 3.091 20 10 EGCDRO CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000383814667 1297574444 /nfs/dbraw/zinc/57/44/44/1297574444.db2.gz GSAXDDLXHVQHLE-OAHLLOKOSA-N 1 0 332.444 3.369 20 10 EGCDRO OCCC1([NH2+]Cc2ccc(Br)cc2O)CCCCC1 ZINC000687281163 1298120139 /nfs/dbraw/zinc/12/01/39/1298120139.db2.gz IGNOUKMKRIQVIY-UHFFFAOYSA-N 1 0 328.250 3.330 20 10 EGCDRO Oc1cc(Br)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000701193810 1298186161 /nfs/dbraw/zinc/18/61/61/1298186161.db2.gz SHSFXHBKVGFKGA-OAHLLOKOSA-N 1 0 339.277 3.215 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@](C)(COCc2ccccc2)OC)c1O ZINC000702795534 1298198000 /nfs/dbraw/zinc/19/80/00/1298198000.db2.gz LBOPDEXKPOMLBZ-FQEVSTJZSA-N 1 0 345.439 3.112 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000706504998 1298221314 /nfs/dbraw/zinc/22/13/14/1298221314.db2.gz PHYWSCDNZUMJPY-CHWSQXEVSA-N 1 0 338.448 3.307 20 10 EGCDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Br)C1CCCC1 ZINC000706880668 1298226464 /nfs/dbraw/zinc/22/64/64/1298226464.db2.gz BMMWXRJFQSXKJR-OAHLLOKOSA-N 1 0 328.250 3.450 20 10 EGCDRO C[C@H](CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-])[NH+](C)C ZINC000708159508 1298238048 /nfs/dbraw/zinc/23/80/48/1298238048.db2.gz YAQBCRAVJWHCQT-SECBINFHSA-N 1 0 335.673 3.238 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000713535147 1298271006 /nfs/dbraw/zinc/27/10/06/1298271006.db2.gz XEMOLFQOGMMYBQ-VQISRLSMSA-N 1 0 338.245 3.202 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1O ZINC000716179512 1298294244 /nfs/dbraw/zinc/29/42/44/1298294244.db2.gz SIZHGGCLYSPLIA-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000718080325 1298307539 /nfs/dbraw/zinc/30/75/39/1298307539.db2.gz LYWOZNGXCFTUDY-IBGZPJMESA-N 1 0 338.455 3.301 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c(O)c1 ZINC000725846937 1298373350 /nfs/dbraw/zinc/37/33/50/1298373350.db2.gz YQXPXHSFOPRCHS-SFHVURJKSA-N 1 0 342.439 3.100 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c(O)c1 ZINC000725846611 1298375093 /nfs/dbraw/zinc/37/50/93/1298375093.db2.gz JDSMHKJQMXKWIR-AWEZNQCLSA-N 1 0 333.350 3.334 20 10 EGCDRO CCC[N@H+](CC)CCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000746769483 1298658587 /nfs/dbraw/zinc/65/85/87/1298658587.db2.gz AEZNVNXZFPOTQB-UHFFFAOYSA-N 1 0 334.508 3.016 20 10 EGCDRO C[N@H+](CCOc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876510953 1298800319 /nfs/dbraw/zinc/80/03/19/1298800319.db2.gz SNJTXTGVHKEHBN-UHFFFAOYSA-N 1 0 340.467 3.159 20 10 EGCDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(C)cccc3O)CC2)nc1 ZINC000876595727 1298855723 /nfs/dbraw/zinc/85/57/23/1298855723.db2.gz FHQCCPGUIXZYFQ-UHFFFAOYSA-N 1 0 339.439 3.255 20 10 EGCDRO Cc1cccc(O)c1CN(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000876796566 1298993276 /nfs/dbraw/zinc/99/32/76/1298993276.db2.gz GSIDHLNHIMFDNW-CQSZACIVSA-N 1 0 333.432 3.449 20 10 EGCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000876811016 1299005566 /nfs/dbraw/zinc/00/55/66/1299005566.db2.gz FXAAYJOKZQUNOD-LSDHHAIUSA-N 1 0 334.460 3.436 20 10 EGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877035792 1299125005 /nfs/dbraw/zinc/12/50/05/1299125005.db2.gz JUTPPILLHKRVBU-QFBILLFUSA-N 1 0 334.529 3.412 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c(O)c1 ZINC000877125858 1299169512 /nfs/dbraw/zinc/16/95/12/1299169512.db2.gz BRTCHAZBSMRPEP-OAHLLOKOSA-N 1 0 336.229 3.286 20 10 EGCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000877128831 1299171221 /nfs/dbraw/zinc/17/12/21/1299171221.db2.gz WLXHZANXBXLKPL-OAQYLSRUSA-N 1 0 346.515 3.069 20 10 EGCDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877169893 1299192538 /nfs/dbraw/zinc/19/25/38/1299192538.db2.gz HAQLPRRKIIEEQB-INIZCTEOSA-N 1 0 325.456 3.236 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000877417787 1299287797 /nfs/dbraw/zinc/28/77/97/1299287797.db2.gz YFORKAKXXPDUIJ-UHFFFAOYSA-N 1 0 340.345 3.369 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1C ZINC000749973244 1299316651 /nfs/dbraw/zinc/31/66/51/1299316651.db2.gz RYVREWMZSPIARW-INIZCTEOSA-N 1 0 334.460 3.450 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2Cl)c1O ZINC000877526236 1299370524 /nfs/dbraw/zinc/37/05/24/1299370524.db2.gz QTMCUZPLCWUTAN-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2OCCCCO)c1 ZINC000877533365 1299375461 /nfs/dbraw/zinc/37/54/61/1299375461.db2.gz NOCVUKVFHBNVRM-OAHLLOKOSA-N 1 0 345.439 3.403 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1(O)CCCC1 ZINC000877574752 1299409186 /nfs/dbraw/zinc/40/91/86/1299409186.db2.gz UJWAZLLVHLWEFJ-UHFFFAOYSA-N 1 0 346.515 3.069 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1F ZINC000877645114 1299450339 /nfs/dbraw/zinc/45/03/39/1299450339.db2.gz BCOUAZNHACRSIU-KRWDZBQOSA-N 1 0 329.419 3.078 20 10 EGCDRO C[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1Cc1ccccc1 ZINC000751071051 1299507865 /nfs/dbraw/zinc/50/78/65/1299507865.db2.gz RKLPZHNLXDDJQO-HIFRSBDPSA-N 1 0 330.453 3.237 20 10 EGCDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000877756263 1299532502 /nfs/dbraw/zinc/53/25/02/1299532502.db2.gz CTOKWNFTRXMGLW-ZIAGYGMSSA-N 1 0 329.396 3.183 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1O ZINC000877780309 1299556248 /nfs/dbraw/zinc/55/62/48/1299556248.db2.gz MJTHTYPHBRXBLT-UHFFFAOYSA-N 1 0 348.830 3.323 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCO1 ZINC000753663988 1300001061 /nfs/dbraw/zinc/00/10/61/1300001061.db2.gz NZDFWLYCVXZDNV-ZQIUZPCESA-N 1 0 340.414 3.414 20 10 EGCDRO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000754863077 1300231957 /nfs/dbraw/zinc/23/19/57/1300231957.db2.gz PTLQWLWFKOHSAL-YXZIBZLCSA-N 1 0 325.408 3.353 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](c4nccn4C)C3)c2c1 ZINC000755787405 1300398142 /nfs/dbraw/zinc/39/81/42/1300398142.db2.gz DFNZGFRNVPPMIL-HNNXBMFYSA-N 1 0 337.423 3.277 20 10 EGCDRO CCN(CC[NH2+][C@H](C)c1cc(OC)ccc1O)CCC(F)(F)F ZINC000756051016 1300432194 /nfs/dbraw/zinc/43/21/94/1300432194.db2.gz SWYIAYYNWSFQIH-GFCCVEGCSA-N 1 0 334.382 3.326 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c2c1c(F)ccc2O ZINC000756369207 1300477114 /nfs/dbraw/zinc/47/71/14/1300477114.db2.gz RRUQABRVASCEOT-TTZDDIAXSA-N 1 0 336.451 3.169 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCCN2CCCCCC2=O)c2c1c(F)ccc2O ZINC000756370385 1300478044 /nfs/dbraw/zinc/47/80/44/1300478044.db2.gz GGDUFXFPNODKPI-DZGCQCFKSA-N 1 0 334.435 3.462 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)c1 ZINC000756397242 1300482561 /nfs/dbraw/zinc/48/25/61/1300482561.db2.gz PVQJXLAATYVUDI-GOSISDBHSA-N 1 0 339.483 3.173 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)c2c1c(F)ccc2O ZINC000756402657 1300484490 /nfs/dbraw/zinc/48/44/90/1300484490.db2.gz NOFMYBUXIGPQCK-DOMZBBRYSA-N 1 0 329.419 3.445 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)c2c1c(F)ccc2O ZINC000756398680 1300484877 /nfs/dbraw/zinc/48/48/77/1300484877.db2.gz XPTHYFZEXYJWTD-OCCSQVGLSA-N 1 0 344.434 3.230 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000756420105 1300487110 /nfs/dbraw/zinc/48/71/10/1300487110.db2.gz HCPYHUWXGKUYJY-OAGGEKHMSA-N 1 0 348.487 3.197 20 10 EGCDRO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756433305 1300490257 /nfs/dbraw/zinc/49/02/57/1300490257.db2.gz XCFYTYQOMFYNLY-HUUCEWRRSA-N 1 0 335.448 3.463 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000756446488 1300493620 /nfs/dbraw/zinc/49/36/20/1300493620.db2.gz QRGBYMQVJMCLHO-CJNGLKHVSA-N 1 0 342.414 3.408 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000756457826 1300496442 /nfs/dbraw/zinc/49/64/42/1300496442.db2.gz VIRBZPNLZWFHBS-CYBMUJFWSA-N 1 0 340.423 3.144 20 10 EGCDRO CNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756465839 1300498841 /nfs/dbraw/zinc/49/88/41/1300498841.db2.gz MDOGOJMPKNMDGR-ABAIWWIYSA-N 1 0 328.387 3.229 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)c2c1c(F)ccc2O ZINC000756477329 1300501131 /nfs/dbraw/zinc/50/11/31/1300501131.db2.gz AHRYLMOYGSNTNG-DGCLKSJQSA-N 1 0 329.375 3.093 20 10 EGCDRO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756490258 1300504960 /nfs/dbraw/zinc/50/49/60/1300504960.db2.gz NAKCGKWHPQLPNI-CQSZACIVSA-N 1 0 349.438 3.098 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)c2c1c(F)ccc2O ZINC000756501703 1300508021 /nfs/dbraw/zinc/50/80/21/1300508021.db2.gz FZJRWWAMVBLAII-ZWNOBZJWSA-N 1 0 328.378 3.399 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(Br)cc1O ZINC000756555622 1300521300 /nfs/dbraw/zinc/52/13/00/1300521300.db2.gz SZOOEUHKESDSEW-RISCZKNCSA-N 1 0 339.277 3.290 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c2c1c(F)ccc2O ZINC000756570838 1300524446 /nfs/dbraw/zinc/52/44/46/1300524446.db2.gz BNGKLXWKNIMSKG-UKPHBRMFSA-N 1 0 348.462 3.313 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cc(Cl)ccc1O ZINC000756571794 1300524588 /nfs/dbraw/zinc/52/45/88/1300524588.db2.gz FOIRYDHZTIYTLP-CJNGLKHVSA-N 1 0 338.879 3.340 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(Br)cc1O ZINC000756645433 1300540257 /nfs/dbraw/zinc/54/02/57/1300540257.db2.gz GPGGOJUKBGRENO-JRPNMDOOSA-N 1 0 339.277 3.288 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@H](O)c2ccccc2)c2c1c(F)ccc2O ZINC000756770740 1300564436 /nfs/dbraw/zinc/56/44/36/1300564436.db2.gz MHMTYSCUBOUNNX-XJOINEQPSA-N 1 0 345.414 3.154 20 10 EGCDRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648481 1300647526 /nfs/dbraw/zinc/64/75/26/1300647526.db2.gz QVRUTPHVJMIWAV-CHWSQXEVSA-N 1 0 326.396 3.273 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)c2c1c(F)ccc2O ZINC000757660662 1300706439 /nfs/dbraw/zinc/70/64/39/1300706439.db2.gz IPLMTPGHUKSSCW-MEDUHNTESA-N 1 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/nfs/dbraw/zinc/41/83/84/1301418384.db2.gz XCJGGPVNCHMGJK-UHFFFAOYSA-N 1 0 335.831 3.091 20 10 EGCDRO CC1(CO)CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000762791819 1301749497 /nfs/dbraw/zinc/74/94/97/1301749497.db2.gz XTHIYWANDGJRQD-UHFFFAOYSA-N 1 0 347.459 3.180 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ncnc4sccc43)cc2)CC1 ZINC000882880535 1302145366 /nfs/dbraw/zinc/14/53/66/1302145366.db2.gz XJDZOCTWRKDICK-UHFFFAOYSA-N 1 0 339.468 3.055 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765285355 1302236287 /nfs/dbraw/zinc/23/62/87/1302236287.db2.gz ALKWUPJISKMCDE-NVXWUHKLSA-N 1 0 330.447 3.394 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)cc1 ZINC000765401580 1302260965 /nfs/dbraw/zinc/26/09/65/1302260965.db2.gz GREYKQFTXMAGOC-OAHLLOKOSA-N 1 0 326.444 3.217 20 10 EGCDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000765899426 1302346673 /nfs/dbraw/zinc/34/66/73/1302346673.db2.gz NBPSRYSYWKFFOV-QZTJIDSGSA-N 1 0 332.488 3.381 20 10 EGCDRO 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331.439 3.148 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)ccc1N1CCOCC1 ZINC000777438746 1304296386 /nfs/dbraw/zinc/29/63/86/1304296386.db2.gz DCGGHQOKTBSCSU-IBGZPJMESA-N 1 0 348.462 3.053 20 10 EGCDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000779018474 1304518095 /nfs/dbraw/zinc/51/80/95/1304518095.db2.gz ALRHMQNFDNHUEG-PMPSAXMXSA-N 1 0 338.467 3.080 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000779570119 1304583241 /nfs/dbraw/zinc/58/32/41/1304583241.db2.gz KXROUPHUSNZANX-RTBURBONSA-N 1 0 343.446 3.446 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000780575606 1304710978 /nfs/dbraw/zinc/71/09/78/1304710978.db2.gz FMKZNQGFNNWKAD-CZUORRHYSA-N 1 0 348.384 3.465 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000780580920 1304712114 /nfs/dbraw/zinc/71/21/14/1304712114.db2.gz RAKAHPXZLREBRY-XJKSGUPXSA-N 1 0 347.377 3.364 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000782072621 1304910893 /nfs/dbraw/zinc/91/08/93/1304910893.db2.gz SVIFYBIESBNOHP-UHFFFAOYSA-N 1 0 343.515 3.366 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CO)c2ccccc2C)c1O ZINC000782081618 1304912569 /nfs/dbraw/zinc/91/25/69/1304912569.db2.gz LAKGGDWHUHTVMX-KRWDZBQOSA-N 1 0 333.815 3.380 20 10 EGCDRO CSCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253045 1305000775 /nfs/dbraw/zinc/00/07/75/1305000775.db2.gz PNKOOLWTOVMTOC-QGZVFWFLSA-N 1 0 337.533 3.005 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000782841845 1305015616 /nfs/dbraw/zinc/01/56/16/1305015616.db2.gz HBQRIDAIZSVUTA-OAHLLOKOSA-N 1 0 346.402 3.287 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccccc1O ZINC000783489378 1305097793 /nfs/dbraw/zinc/09/77/93/1305097793.db2.gz COPXQJUQFWZYJK-NVXWUHKLSA-N 1 0 345.512 3.093 20 10 EGCDRO Cc1ccncc1/C=C/C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000783910647 1305161184 /nfs/dbraw/zinc/16/11/84/1305161184.db2.gz WRLFJFUABQMBBL-SGQUHAKNSA-N 1 0 333.435 3.414 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c1O ZINC000785561552 1305379393 /nfs/dbraw/zinc/37/93/93/1305379393.db2.gz XEGCBLAOIBKJPD-DNVCBOLYSA-N 1 0 328.456 3.490 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(N(C)C)cc1 ZINC000786964313 1305668785 /nfs/dbraw/zinc/66/87/85/1305668785.db2.gz WXRGRLRZMNIKDM-LBPRGKRZSA-N 1 0 338.498 3.068 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000893620115 1305990487 /nfs/dbraw/zinc/99/04/87/1305990487.db2.gz GDVODMNHURDQOM-SJLPKXTDSA-N 1 0 343.423 3.419 20 10 EGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)C1 ZINC000788983300 1306057090 /nfs/dbraw/zinc/05/70/90/1306057090.db2.gz CKEZHDPJWYHUBL-MJGOQNOKSA-N 1 0 341.499 3.201 20 10 EGCDRO [O-]c1c(F)cc(Br)cc1C[N@@H+](CCO)C1CCCC1 ZINC000893871073 1306106663 /nfs/dbraw/zinc/10/66/63/1306106663.db2.gz KHYPOGVRAJBFDG-UHFFFAOYSA-N 1 0 332.213 3.031 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCn2c(C)nc3ccccc32)c1O ZINC000894154083 1306248138 /nfs/dbraw/zinc/24/81/38/1306248138.db2.gz QRNHXJXRVSHXPD-UHFFFAOYSA-N 1 0 325.412 3.157 20 10 EGCDRO COc1cc2c(cc1C[NH2+]Cc1cc(C)cc(OC)c1O)O[C@@H](C)C2 ZINC000894168818 1306258929 /nfs/dbraw/zinc/25/89/29/1306258929.db2.gz UDNAYMRNFNTEJF-ZDUSSCGKSA-N 1 0 343.423 3.331 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000790930575 1308890141 /nfs/dbraw/zinc/89/01/41/1308890141.db2.gz ALBKWGYWVGZTGN-QKLQHJQFSA-N 1 0 332.488 3.301 20 10 EGCDRO OCC[N@H+](Cc1ccc(Br)s1)Cc1ccccc1O ZINC000792196661 1309141632 /nfs/dbraw/zinc/14/16/32/1309141632.db2.gz SBYZOZDIZDMARW-UHFFFAOYSA-N 1 0 342.258 3.211 20 10 EGCDRO COc1cc(C)cc(CNc2ccc(OCC[NH+](C)C)c(F)c2)c1O ZINC000894983189 1309143500 /nfs/dbraw/zinc/14/35/00/1309143500.db2.gz ALFJLCCYLZNFCB-UHFFFAOYSA-N 1 0 348.418 3.401 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c(C(F)(F)F)c1 ZINC000792813699 1309235158 /nfs/dbraw/zinc/23/51/58/1309235158.db2.gz VHBCLQGVLQSJER-ZDUSSCGKSA-N 1 0 330.394 3.366 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000792877662 1309250937 /nfs/dbraw/zinc/25/09/37/1309250937.db2.gz VKTYADUVKRZAEH-SNVBAGLBSA-N 1 0 347.327 3.068 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(=O)NC(C)(C)C ZINC000792936597 1309265210 /nfs/dbraw/zinc/26/52/10/1309265210.db2.gz IAVFJOJBCCCSNK-NSHDSACASA-N 1 0 345.409 3.164 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000792952836 1309269417 /nfs/dbraw/zinc/26/94/17/1309269417.db2.gz VOHSQUUSTQRVAF-UHFFFAOYSA-N 1 0 329.410 3.345 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c(C(F)(F)F)c1 ZINC000792991509 1309277400 /nfs/dbraw/zinc/27/74/00/1309277400.db2.gz JEIUNDAKVRSHDF-ZDUSSCGKSA-N 1 0 338.377 3.142 20 10 EGCDRO COc1ccc(C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)c(O)c1 ZINC000793388110 1309360883 /nfs/dbraw/zinc/36/08/83/1309360883.db2.gz MFVVLKPSIXYHLJ-UHFFFAOYSA-N 1 0 349.740 3.096 20 10 EGCDRO COc1ccc2nc(C[NH2+]Cc3ccc(OC)cc3O)sc2c1 ZINC000793389508 1309362182 /nfs/dbraw/zinc/36/21/82/1309362182.db2.gz ZYQJAXLVVBXLFT-UHFFFAOYSA-N 1 0 330.409 3.309 20 10 EGCDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(Br)cc1O ZINC000794832979 1309603654 /nfs/dbraw/zinc/60/36/54/1309603654.db2.gz IUZDWEFZNUYNEV-MFKMUULPSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Br)ccc1O ZINC000794836023 1309605287 /nfs/dbraw/zinc/60/52/87/1309605287.db2.gz RJYYMQYYCDCASX-GXFFZTMASA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Br)ccc1O ZINC000794836029 1309605726 /nfs/dbraw/zinc/60/57/26/1309605726.db2.gz RJYYMQYYCDCASX-ZWNOBZJWSA-N 1 0 328.250 3.356 20 10 EGCDRO CCc1cccc(C[NH2+]CCn2nc(C(F)(F)F)cc2C)c1O ZINC000896272187 1309779170 /nfs/dbraw/zinc/77/91/70/1309779170.db2.gz ZPJPQJVAPHMGPY-UHFFFAOYSA-N 1 0 327.350 3.268 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1C(C)C ZINC000795688525 1309808292 /nfs/dbraw/zinc/80/82/92/1309808292.db2.gz FZJKNWNOGMRXLW-WMZOPIPTSA-N 1 0 332.488 3.119 20 10 EGCDRO C[C@](CO)([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796318795 1309965779 /nfs/dbraw/zinc/96/57/79/1309965779.db2.gz XUUFJLKQPXYQAB-JOCHJYFZSA-N 1 0 336.479 3.500 20 10 EGCDRO OC[C@@H](CC(F)F)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796366093 1309980891 /nfs/dbraw/zinc/98/08/91/1309980891.db2.gz YWGOUMYBEKASAF-GOSISDBHSA-N 1 0 346.421 3.355 20 10 EGCDRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000796623457 1310048505 /nfs/dbraw/zinc/04/85/05/1310048505.db2.gz QNROBGAKALCLCT-UHFFFAOYSA-N 1 0 346.519 3.160 20 10 EGCDRO CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796727888 1310074336 /nfs/dbraw/zinc/07/43/36/1310074336.db2.gz JGVJTOMIKKRSCZ-DAYGRLMNSA-N 1 0 338.467 3.461 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1O ZINC000896984401 1310120041 /nfs/dbraw/zinc/12/00/41/1310120041.db2.gz JPYJHDGHBBLTCQ-OAHLLOKOSA-N 1 0 334.460 3.437 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1C ZINC000797041725 1310131253 /nfs/dbraw/zinc/13/12/53/1310131253.db2.gz UNBNHAWHTDGLJF-IAGOWNOFSA-N 1 0 345.487 3.340 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000797530629 1310209882 /nfs/dbraw/zinc/20/98/82/1310209882.db2.gz WBWCIEXSPZRPJN-GOSISDBHSA-N 1 0 337.467 3.238 20 10 EGCDRO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817964633 1319479402 /nfs/dbraw/zinc/47/94/02/1319479402.db2.gz GPFFXFAXODYZSM-SNVBAGLBSA-N 1 0 345.256 3.334 20 10 EGCDRO CC(=O)c1ccc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000897524879 1310363883 /nfs/dbraw/zinc/36/38/83/1310363883.db2.gz FXPIFIHZWZEFGE-SFHVURJKSA-N 1 0 326.444 3.065 20 10 EGCDRO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000897576177 1310389569 /nfs/dbraw/zinc/38/95/69/1310389569.db2.gz ASHKWAYPMHNXJL-MRXNPFEDSA-N 1 0 328.460 3.207 20 10 EGCDRO Cc1nc2ccccn2c1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000898272109 1310654907 /nfs/dbraw/zinc/65/49/07/1310654907.db2.gz QUUHGOHNIWXZSS-UHFFFAOYSA-N 1 0 330.382 3.277 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCOC2CCSCC2)cc1F ZINC000898435027 1310733375 /nfs/dbraw/zinc/73/33/75/1310733375.db2.gz SDGYZWFWVQYEOD-UHFFFAOYSA-N 1 0 330.444 3.033 20 10 EGCDRO COCC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000800476888 1310766279 /nfs/dbraw/zinc/76/62/79/1310766279.db2.gz RCXFOODATUCBRK-OXQOHEQNSA-N 1 0 332.488 3.459 20 10 EGCDRO C[C@H](N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(C)CC1 ZINC000899102595 1310936206 /nfs/dbraw/zinc/93/62/06/1310936206.db2.gz RBOPTBRCAZCZGB-YJBOKZPZSA-N 1 0 346.519 3.185 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC2(CCCC2)O1 ZINC000801508051 1310949329 /nfs/dbraw/zinc/94/93/29/1310949329.db2.gz MQTQNVWIHVPYQQ-HXUWFJFHSA-N 1 0 344.499 3.447 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccccc3OCCF)cc2)CC1 ZINC000824559110 1320264975 /nfs/dbraw/zinc/26/49/75/1320264975.db2.gz GANJTNKKXPIFAH-UHFFFAOYSA-N 1 0 343.446 3.399 20 10 EGCDRO CCCN(C(=O)NCc1ccc(N(CC)CC)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000825832288 1320364999 /nfs/dbraw/zinc/36/49/99/1320364999.db2.gz MAWQVKULTGOULR-LJQANCHMSA-N 1 0 346.519 3.159 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000826019689 1320379138 /nfs/dbraw/zinc/37/91/38/1320379138.db2.gz JXEWKVPZCJELCR-IBGZPJMESA-N 1 0 325.456 3.191 20 10 EGCDRO Cc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)nc(N2CCCC2)n1 ZINC000825987026 1320376388 /nfs/dbraw/zinc/37/63/88/1320376388.db2.gz QUELCRIGYLPKME-UHFFFAOYSA-N 1 0 346.862 3.342 20 10 EGCDRO CCOc1ccc(CN(CC[NH+](C)C)Cc2ccsc2)c(O)c1 ZINC000839187584 1320889824 /nfs/dbraw/zinc/88/98/24/1320889824.db2.gz WXGXXZXMXWEPGF-UHFFFAOYSA-N 1 0 334.485 3.416 20 10 EGCDRO Cc1cc(C)nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000929186189 1328530929 /nfs/dbraw/zinc/53/09/29/1328530929.db2.gz YTDMQGRXHDKUMF-UHFFFAOYSA-N 1 0 325.456 3.167 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1F ZINC000858086960 1328678487 /nfs/dbraw/zinc/67/84/87/1328678487.db2.gz GSSROIQUKBVXKC-UHFFFAOYSA-N 1 0 334.366 3.092 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Br)c1cccs1 ZINC000858142769 1328694551 /nfs/dbraw/zinc/69/45/51/1328694551.db2.gz LVXLFZZZSCBEQB-AWEZNQCLSA-N 1 0 342.258 3.214 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1F ZINC000858161753 1328699987 /nfs/dbraw/zinc/69/99/87/1328699987.db2.gz DWYGRNVVJVZIOB-FQEVSTJZSA-N 1 0 346.421 3.345 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc(F)c3)C2)cc1C ZINC001019952447 1317473756 /nfs/dbraw/zinc/47/37/56/1317473756.db2.gz SGZVUTLUACFCRM-IYARVYRRSA-N 1 0 342.414 3.193 20 10 EGCDRO CN(C)c1cc(F)c(CN[C@@H](CCO)c2ccccc2F)cc1F ZINC000858182512 1328706205 /nfs/dbraw/zinc/70/62/05/1328706205.db2.gz WNQSDHRZOZLSKT-KRWDZBQOSA-N 1 0 338.373 3.383 20 10 EGCDRO CNc1ccc(C)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000902621226 1317598931 /nfs/dbraw/zinc/59/89/31/1317598931.db2.gz AJWFRUSIZPDWHO-UHFFFAOYSA-N 1 0 339.483 3.288 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000858210307 1328711636 /nfs/dbraw/zinc/71/16/36/1328711636.db2.gz MCNNCRDSYNGUGZ-UHFFFAOYSA-N 1 0 333.476 3.156 20 10 EGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808193514 1317643179 /nfs/dbraw/zinc/64/31/79/1317643179.db2.gz WTKJOYDUFHYBLR-RHSMWYFYSA-N 1 0 332.488 3.454 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000808430314 1317676353 /nfs/dbraw/zinc/67/63/53/1317676353.db2.gz FAZOOJYEBVDEHK-OAHLLOKOSA-N 1 0 335.831 3.310 20 10 EGCDRO CC[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cc(Br)ccc1O ZINC000903409412 1317698084 /nfs/dbraw/zinc/69/80/84/1317698084.db2.gz WNPYWMHJRMKNCG-KGLIPLIRSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1O ZINC000903480632 1317705826 /nfs/dbraw/zinc/70/58/26/1317705826.db2.gz YVISFCAEPOPRDR-MNOVXSKESA-N 1 0 336.233 3.017 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000808706917 1317719233 /nfs/dbraw/zinc/71/92/33/1317719233.db2.gz BEUIQQHKTPEVPW-FPMFFAJLSA-N 1 0 345.892 3.360 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1O ZINC000808729480 1317724292 /nfs/dbraw/zinc/72/42/92/1317724292.db2.gz KQJIXFHFAPHNKY-POHZPAGDSA-N 1 0 333.815 3.499 20 10 EGCDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809541096 1317827272 /nfs/dbraw/zinc/82/72/72/1317827272.db2.gz FAKACGZQOLBZMA-OAQYLSRUSA-N 1 0 349.478 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C)C3)C2)cc1C ZINC001020671598 1317847636 /nfs/dbraw/zinc/84/76/36/1317847636.db2.gz LGESKISWFMBBFH-BVPBIZIASA-N 1 0 330.472 3.177 20 10 EGCDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1ccc3c(c1)CCN3Cc1ccccc1)C2 ZINC000809650368 1317856094 /nfs/dbraw/zinc/85/60/94/1317856094.db2.gz WVCLNJAFLZVTQO-IRLDBZIGSA-N 1 0 334.463 3.064 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809698827 1317868065 /nfs/dbraw/zinc/86/80/65/1317868065.db2.gz HBEKOEGLNAWMHV-NZSAHSFTSA-N 1 0 339.435 3.405 20 10 EGCDRO COc1cccc(O)c1C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000809701714 1317868270 /nfs/dbraw/zinc/86/82/70/1317868270.db2.gz JDAPHLGEEJVSMX-UHFFFAOYSA-N 1 0 339.395 3.125 20 10 EGCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000809724968 1317880795 /nfs/dbraw/zinc/88/07/95/1317880795.db2.gz GUPQOYJHASZEMY-KRWDZBQOSA-N 1 0 334.460 3.500 20 10 EGCDRO CCOc1ccc(CN(CC[NH+](C)C)Cc2cccc(F)c2)c(O)c1 ZINC000809737132 1317884058 /nfs/dbraw/zinc/88/40/58/1317884058.db2.gz CVACWIAKYYMSKJ-UHFFFAOYSA-N 1 0 346.446 3.494 20 10 EGCDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809755087 1317892400 /nfs/dbraw/zinc/89/24/00/1317892400.db2.gz OUKYAADHDFMDIM-UHFFFAOYSA-N 1 0 346.475 3.111 20 10 EGCDRO CC[C@@]1(C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020853226 1317957327 /nfs/dbraw/zinc/95/73/27/1317957327.db2.gz NCANMYLQKJQHLW-BOSXTWCSSA-N 1 0 330.472 3.177 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)nc2OC)cc1F ZINC000810176992 1317969208 /nfs/dbraw/zinc/96/92/08/1317969208.db2.gz FSTBEDNFXADCQR-UHFFFAOYSA-N 1 0 347.434 3.374 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(C(F)(F)F)cc1O ZINC000810213878 1317977531 /nfs/dbraw/zinc/97/75/31/1317977531.db2.gz YOXDVRNNDICUII-FZMZJTMJSA-N 1 0 344.377 3.463 20 10 EGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1O ZINC000810213487 1317977658 /nfs/dbraw/zinc/97/76/58/1317977658.db2.gz TXUCBGAUQIBKLR-HNNXBMFYSA-N 1 0 342.439 3.088 20 10 EGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810224786 1317979966 /nfs/dbraw/zinc/97/99/66/1317979966.db2.gz XVKGRYYFDMFVJH-OCCSQVGLSA-N 1 0 344.377 3.463 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(C3CC3)C3CC3)C2)cc1C ZINC001020902529 1317990809 /nfs/dbraw/zinc/99/08/09/1317990809.db2.gz AZGPVUFBEHTORN-IYARVYRRSA-N 1 0 342.483 3.177 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000811512305 1318190969 /nfs/dbraw/zinc/19/09/69/1318190969.db2.gz LEAQONHJQQIIGZ-FQEVSTJZSA-N 1 0 325.408 3.371 20 10 EGCDRO COc1c(O)c(CNc2cc3c(c[nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000812782261 1318453624 /nfs/dbraw/zinc/45/36/24/1318453624.db2.gz VBCSFTZTOHWXIY-UHFFFAOYSA-N 1 0 329.356 3.195 20 10 EGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C[NH+](C)C ZINC000813878556 1318649174 /nfs/dbraw/zinc/64/91/74/1318649174.db2.gz PFBQWTHFABYNPJ-UWVGGRQHSA-N 1 0 333.245 3.142 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1 ZINC000813885638 1318651331 /nfs/dbraw/zinc/65/13/31/1318651331.db2.gz PLAFQDNFDNPBDT-HNNXBMFYSA-N 1 0 326.444 3.250 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(C)cc1O ZINC000858538693 1328791166 /nfs/dbraw/zinc/79/11/66/1328791166.db2.gz YFSJRTKXQJHAQN-FCEWJHQRSA-N 1 0 328.412 3.372 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3C=CCCC3)C2)cc1C ZINC001022270823 1318868278 /nfs/dbraw/zinc/86/82/78/1318868278.db2.gz VABMUOASLKIWNY-YTQUADARSA-N 1 0 342.483 3.487 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000815118700 1318897225 /nfs/dbraw/zinc/89/72/25/1318897225.db2.gz ZMFNJSVIEBTAFS-ZBFHGGJFSA-N 1 0 330.394 3.135 20 10 EGCDRO CC(C)NC(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815555197 1319015079 /nfs/dbraw/zinc/01/50/79/1319015079.db2.gz SKYUWYWURKRRFN-SFHVURJKSA-N 1 0 326.440 3.180 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c(O)c1 ZINC000815564917 1319016737 /nfs/dbraw/zinc/01/67/37/1319016737.db2.gz XDOFFDCQMCGTTC-AWEZNQCLSA-N 1 0 330.403 3.229 20 10 EGCDRO Oc1c(C[NH2+]Cc2ncnn2-c2ccccc2)ccc2ccccc21 ZINC000816593185 1319190288 /nfs/dbraw/zinc/19/02/88/1319190288.db2.gz HXEYMGMYLGEEDG-UHFFFAOYSA-N 1 0 330.391 3.416 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1O ZINC000816656445 1319200978 /nfs/dbraw/zinc/20/09/78/1319200978.db2.gz RZVKPFQUHIPEPJ-KRWDZBQOSA-N 1 0 337.847 3.445 20 10 EGCDRO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000817363400 1319338167 /nfs/dbraw/zinc/33/81/67/1319338167.db2.gz CMPDFXHLLDQGLI-STQMWFEESA-N 1 0 349.427 3.063 20 10 EGCDRO CCCN1C[C@H](C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1=O ZINC000817589600 1319409114 /nfs/dbraw/zinc/40/91/14/1319409114.db2.gz OTGVQBGURJJDHG-CABCVRRESA-N 1 0 330.472 3.180 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817675803 1319422954 /nfs/dbraw/zinc/42/29/54/1319422954.db2.gz BMUWJHALYARFST-HNNXBMFYSA-N 1 0 331.485 3.322 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(Br)cc(F)c1[O-] ZINC000817981793 1319485291 /nfs/dbraw/zinc/48/52/91/1319485291.db2.gz NSWQCZXNBYTRDP-IQJOONFLSA-N 1 0 331.229 3.072 20 10 EGCDRO COc1ccc([C@H](NCc2ccc3c(c2)CCO3)[C@@H]2CCC[NH2+]2)cc1 ZINC000817902422 1319457162 /nfs/dbraw/zinc/45/71/62/1319457162.db2.gz QJCIQQXNFVEWST-FPOVZHCZSA-N 1 0 338.451 3.213 20 10 EGCDRO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938887 1319466538 /nfs/dbraw/zinc/46/65/38/1319466538.db2.gz VASHOIXSYWCZJE-NHCUHLMSSA-N 1 0 339.483 3.428 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000817939452 1319467849 /nfs/dbraw/zinc/46/78/49/1319467849.db2.gz BIMHSJWDWXKLRH-VQTJNVASSA-N 1 0 325.456 3.125 20 10 EGCDRO CC[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(C)cc1O ZINC000817951128 1319475446 /nfs/dbraw/zinc/47/54/46/1319475446.db2.gz BUSKSEDFKWHTDA-KRWDZBQOSA-N 1 0 326.444 3.068 20 10 EGCDRO CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817960938 1319477984 /nfs/dbraw/zinc/47/79/84/1319477984.db2.gz UQYPMCOFATVXOX-VIFPVBQESA-N 1 0 333.245 3.462 20 10 EGCDRO C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817968080 1319481226 /nfs/dbraw/zinc/48/12/26/1319481226.db2.gz OJDADFVQLYIGLV-VIFPVBQESA-N 1 0 345.668 3.378 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)c(F)cc1[O-] ZINC000817970299 1319481471 /nfs/dbraw/zinc/48/14/71/1319481471.db2.gz QXZHSVLEXKBKLV-AEJSXWLSSA-N 1 0 331.229 3.214 20 10 EGCDRO C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817987479 1319486974 /nfs/dbraw/zinc/48/69/74/1319486974.db2.gz ZQXOGSCPDKCWHK-JTQLQIEISA-N 1 0 343.240 3.254 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C(C)C)nc3C)C2)cc1 ZINC000818221069 1319521578 /nfs/dbraw/zinc/52/15/78/1319521578.db2.gz KWAIHRNFLXUFEK-QGZVFWFLSA-N 1 0 342.487 3.397 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000818220714 1319521587 /nfs/dbraw/zinc/52/15/87/1319521587.db2.gz JEHNEZWZPSMZEN-AWEZNQCLSA-N 1 0 343.496 3.257 20 10 EGCDRO CN(C)c1ccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000915927316 1319564350 /nfs/dbraw/zinc/56/43/50/1319564350.db2.gz IPLLGMUGPUCXIS-IBGZPJMESA-N 1 0 346.519 3.062 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2F)cc1F ZINC000818984974 1319605556 /nfs/dbraw/zinc/60/55/56/1319605556.db2.gz JWQQWRGNAZSYTI-UHFFFAOYSA-N 1 0 333.382 3.149 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3cccs3)C2)cc1C ZINC000961503351 1319621587 /nfs/dbraw/zinc/62/15/87/1319621587.db2.gz RSMHQBUTRNGZNU-UHFFFAOYSA-N 1 0 344.480 3.363 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccoc3C)C2)cc1C ZINC000961523834 1319632498 /nfs/dbraw/zinc/63/24/98/1319632498.db2.gz MYVPZCKDUUDPCO-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819291453 1319691266 /nfs/dbraw/zinc/69/12/66/1319691266.db2.gz VIPYQZSBAYETLH-HIFRSBDPSA-N 1 0 342.936 3.390 20 10 EGCDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000916838246 1319712647 /nfs/dbraw/zinc/71/26/47/1319712647.db2.gz FYRJXZMSGQAPLV-IBGZPJMESA-N 1 0 346.475 3.015 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[NH+]1CCCCC1 ZINC000917516454 1319824321 /nfs/dbraw/zinc/82/43/21/1319824321.db2.gz FFCJZYSCJNJFND-UHFFFAOYSA-N 1 0 331.485 3.371 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)OCO2 ZINC000917617353 1319851780 /nfs/dbraw/zinc/85/17/80/1319851780.db2.gz AHRRCMVXXYKQNX-INIZCTEOSA-N 1 0 329.371 3.467 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(F)ccc(O)c3F)C2)cc1 ZINC000822494719 1320088892 /nfs/dbraw/zinc/08/88/92/1320088892.db2.gz UXYDTJFUGJLLFV-CYBMUJFWSA-N 1 0 348.393 3.295 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1F ZINC000822504593 1320090569 /nfs/dbraw/zinc/09/05/69/1320090569.db2.gz WPKKMOKINFIXAT-INIZCTEOSA-N 1 0 331.439 3.101 20 10 EGCDRO C[C@@H](C[N@H+](C)Cc1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000823408744 1320177241 /nfs/dbraw/zinc/17/72/41/1320177241.db2.gz PWLJPGVYABWAEN-AWEZNQCLSA-N 1 0 333.453 3.031 20 10 EGCDRO Fc1c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccnc1Cl ZINC000823698734 1320198628 /nfs/dbraw/zinc/19/86/28/1320198628.db2.gz XWMXLXUARWFGAB-UHFFFAOYSA-N 1 0 335.810 3.001 20 10 EGCDRO C[C@H]1CN(Cc2cccc(Br)c2[O-])CC[N@@H+](C2CC2)C1 ZINC000824445893 1320258484 /nfs/dbraw/zinc/25/84/84/1320258484.db2.gz OCHVMZNFNOWXKC-LBPRGKRZSA-N 1 0 339.277 3.071 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@@](C)(OC)c2ccccc2)cc1OC ZINC000824780567 1320285001 /nfs/dbraw/zinc/28/50/01/1320285001.db2.gz URXGHQHPHZMHAL-LJQANCHMSA-N 1 0 331.412 3.061 20 10 EGCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000824805281 1320286357 /nfs/dbraw/zinc/28/63/57/1320286357.db2.gz HPAGYMUUAAAULQ-UHFFFAOYSA-N 1 0 337.398 3.402 20 10 EGCDRO COCc1ccccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824997833 1320302684 /nfs/dbraw/zinc/30/26/84/1320302684.db2.gz DLWQWCNUAOANID-UHFFFAOYSA-N 1 0 325.456 3.197 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCc3cc(F)c(F)c(F)c31)OCO2 ZINC000825045442 1320306257 /nfs/dbraw/zinc/30/62/57/1320306257.db2.gz DPUPQUUPVCCRSL-LLVKDONJSA-N 1 0 337.297 3.315 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825130515 1320314113 /nfs/dbraw/zinc/31/41/13/1320314113.db2.gz BHZNZPGHYWYPCW-MRXNPFEDSA-N 1 0 336.229 3.286 20 10 EGCDRO COCCC1(C[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000825338411 1320329641 /nfs/dbraw/zinc/32/96/41/1320329641.db2.gz XRFVPMJUILIIMT-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000825527066 1320345349 /nfs/dbraw/zinc/34/53/49/1320345349.db2.gz ZDYFQMUUVNENAM-UKRRQHHQSA-N 1 0 326.234 3.202 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1Cl ZINC000825753353 1320360325 /nfs/dbraw/zinc/36/03/25/1320360325.db2.gz QMHIFAPVKYMGJF-GUYCJALGSA-N 1 0 325.836 3.124 20 10 EGCDRO COc1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000825928198 1320372151 /nfs/dbraw/zinc/37/21/51/1320372151.db2.gz NJPOOFYYNPJNCC-ZDUSSCGKSA-N 1 0 335.366 3.053 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000825933608 1320372218 /nfs/dbraw/zinc/37/22/18/1320372218.db2.gz BETACVGALOFANM-RDTXWAMCSA-N 1 0 343.423 3.419 20 10 EGCDRO COc1cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934842 1320372334 /nfs/dbraw/zinc/37/23/34/1320372334.db2.gz LKCTZPRLGBWOAD-KDOFPFPSSA-N 1 0 334.504 3.470 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1Cl ZINC000826036653 1320380204 /nfs/dbraw/zinc/38/02/04/1320380204.db2.gz NULJGNYKTSCEJY-UONOGXRCSA-N 1 0 344.842 3.135 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1O ZINC000826867124 1320410628 /nfs/dbraw/zinc/41/06/28/1320410628.db2.gz HIYWPDCLTKQJRP-CQSZACIVSA-N 1 0 341.293 3.426 20 10 EGCDRO CCC(=O)N1CCC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827473854 1320455618 /nfs/dbraw/zinc/45/56/18/1320455618.db2.gz XUBWHZUSBHCVEZ-UHFFFAOYSA-N 1 0 343.515 3.430 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000838734493 1320809845 /nfs/dbraw/zinc/80/98/45/1320809845.db2.gz SPQGRYXFWWANCT-UHFFFAOYSA-N 1 0 346.519 3.159 20 10 EGCDRO COc1cccc(CNc2ccc(OCC[NH+](C)C)c(F)c2)c1O ZINC000839189105 1320890379 /nfs/dbraw/zinc/89/03/79/1320890379.db2.gz PYZUQHMONOVFJL-UHFFFAOYSA-N 1 0 334.391 3.092 20 10 EGCDRO CCOc1ccc(O)c(CNc2ccc(OCC[NH+](C)C)c(F)c2)c1 ZINC000839188836 1320890389 /nfs/dbraw/zinc/89/03/89/1320890389.db2.gz MSKHXKXKMWRCPC-UHFFFAOYSA-N 1 0 348.418 3.483 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1O ZINC000840130423 1321035111 /nfs/dbraw/zinc/03/51/11/1321035111.db2.gz NYPGUBUSBHGIAE-SJORKVTESA-N 1 0 331.456 3.490 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c(O)c1 ZINC000840795862 1321150307 /nfs/dbraw/zinc/15/03/07/1321150307.db2.gz BXXKURFMDIEYEO-DOTOQJQBSA-N 1 0 349.471 3.075 20 10 EGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000840882815 1321169728 /nfs/dbraw/zinc/16/97/28/1321169728.db2.gz CCQNEECYPFDIRQ-HUUCEWRRSA-N 1 0 336.451 3.271 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000840887020 1321171095 /nfs/dbraw/zinc/17/10/95/1321171095.db2.gz SBDINJHHUGIHBL-JGFGOQIWSA-N 1 0 325.399 3.470 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000840941731 1321183179 /nfs/dbraw/zinc/18/31/79/1321183179.db2.gz JFWMMGYCZWCALH-RTWAWAEBSA-N 1 0 342.458 3.456 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1OC ZINC000840969746 1321190495 /nfs/dbraw/zinc/19/04/95/1321190495.db2.gz MHBJBRHUQXTELR-GOSISDBHSA-N 1 0 335.444 3.046 20 10 EGCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000840976421 1321192330 /nfs/dbraw/zinc/19/23/30/1321192330.db2.gz WCMRODGKURJZIW-CRAIPNDOSA-N 1 0 349.515 3.162 20 10 EGCDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840976565 1321192342 /nfs/dbraw/zinc/19/23/42/1321192342.db2.gz DKPMSUSOYKZHHA-RDJZCZTQSA-N 1 0 347.459 3.178 20 10 EGCDRO CC(C)Oc1ccccc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841039845 1321206401 /nfs/dbraw/zinc/20/64/01/1321206401.db2.gz CTTYYDVTOWOMAG-LJQANCHMSA-N 1 0 327.472 3.329 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000841040980 1321207718 /nfs/dbraw/zinc/20/77/18/1321207718.db2.gz WTKUBGMAVFRPRP-KRWDZBQOSA-N 1 0 348.288 3.305 20 10 EGCDRO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c2c(c1)NCCC2 ZINC000841082711 1321215448 /nfs/dbraw/zinc/21/54/48/1321215448.db2.gz HWHMFTFFGZJJPL-UHFFFAOYSA-N 1 0 337.467 3.171 20 10 EGCDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cc(Br)ccc2O)C1 ZINC000841106274 1321219066 /nfs/dbraw/zinc/21/90/66/1321219066.db2.gz IXHXAXHOMNSWKY-CQSZACIVSA-N 1 0 333.229 3.045 20 10 EGCDRO C[NH2+]Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000841312322 1321253087 /nfs/dbraw/zinc/25/30/87/1321253087.db2.gz DLDAITROUYMKEF-UHFFFAOYSA-N 1 0 338.455 3.328 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1O ZINC000841743791 1321305907 /nfs/dbraw/zinc/30/59/07/1321305907.db2.gz CEBTUPDYTZPVLO-BXUZGUMPSA-N 1 0 339.794 3.275 20 10 EGCDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CO1 ZINC000841863253 1321324476 /nfs/dbraw/zinc/32/44/76/1321324476.db2.gz KGGFCTXWGBBYLR-JKSUJKDBSA-N 1 0 338.879 3.167 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000841923067 1321330150 /nfs/dbraw/zinc/33/01/50/1321330150.db2.gz WYNHWXZWMJYORI-UHFFFAOYSA-N 1 0 346.519 3.334 20 10 EGCDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000842720810 1321423583 /nfs/dbraw/zinc/42/35/83/1321423583.db2.gz MLWADPWFJHFBDO-SFHVURJKSA-N 1 0 329.488 3.166 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(=O)NCc1cccs1 ZINC000842909459 1321448613 /nfs/dbraw/zinc/44/86/13/1321448613.db2.gz QZMJLHPCVMJKLX-BLLLJJGKSA-N 1 0 348.468 3.208 20 10 EGCDRO CC[C@@H]1CN(Cc2cc(C)cc(Br)c2O)CC[C@H]1[NH3+] ZINC000843051939 1321461695 /nfs/dbraw/zinc/46/16/95/1321461695.db2.gz JDXSOUNFYQQZQU-BXUZGUMPSA-N 1 0 327.266 3.022 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnc2ccc(Cl)cn12 ZINC000843058602 1321464119 /nfs/dbraw/zinc/46/41/19/1321464119.db2.gz WLTKLZZHYIMNDB-UHFFFAOYSA-N 1 0 326.831 3.399 20 10 EGCDRO COc1ccc(O)c(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1 ZINC000843114318 1321472790 /nfs/dbraw/zinc/47/27/90/1321472790.db2.gz IWHOODAHUVVVEP-QGZVFWFLSA-N 1 0 332.831 3.201 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000843417433 1321514165 /nfs/dbraw/zinc/51/41/65/1321514165.db2.gz UFCQLZLKKHLLDK-IUODEOHRSA-N 1 0 325.836 3.445 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)CCCC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843479478 1321521678 /nfs/dbraw/zinc/52/16/78/1321521678.db2.gz PUXRMAXQTIDYRK-CYBMUJFWSA-N 1 0 331.435 3.481 20 10 EGCDRO Cc1cc(C(=O)NCCCCCC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000843505186 1321523331 /nfs/dbraw/zinc/52/33/31/1321523331.db2.gz CVLNJHCEFPHGRQ-UHFFFAOYSA-N 1 0 331.435 3.482 20 10 EGCDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844902182 1321656539 /nfs/dbraw/zinc/65/65/39/1321656539.db2.gz KKETVIGPFPPTOW-UHFFFAOYSA-N 1 0 339.867 3.108 20 10 EGCDRO C[C@@H](CCNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCCCC1 ZINC000845107427 1321676174 /nfs/dbraw/zinc/67/61/74/1321676174.db2.gz RQSVXQZWLMUXNK-ZDUSSCGKSA-N 1 0 339.867 3.109 20 10 EGCDRO CN1C(=O)CCc2cc(C[NH2+]Cc3cc(Cl)ccc3O)ccc21 ZINC000846056672 1321765216 /nfs/dbraw/zinc/76/52/16/1321765216.db2.gz WOCVPABVMSKHJC-UHFFFAOYSA-N 1 0 330.815 3.244 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCN2CCCC2=O)cc1 ZINC000846076283 1321767477 /nfs/dbraw/zinc/76/74/77/1321767477.db2.gz JYMUSXLPZQTVLE-UHFFFAOYSA-N 1 0 343.496 3.097 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1O ZINC000846136233 1321770083 /nfs/dbraw/zinc/77/00/83/1321770083.db2.gz HRRQWSWVVBPIIZ-GFCCVEGCSA-N 1 0 347.411 3.277 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)c1O ZINC000846142247 1321770574 /nfs/dbraw/zinc/77/05/74/1321770574.db2.gz YQRABFCSKNWAEA-LBPRGKRZSA-N 1 0 347.411 3.277 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CC2(N(C)C)Cc3ccccc3C2)c1O ZINC000846146213 1321771581 /nfs/dbraw/zinc/77/15/81/1321771581.db2.gz ONOSMLYRYZTPFY-HNNXBMFYSA-N 1 0 340.467 3.151 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)CC2CCCCC2)c1O ZINC000846150605 1321771997 /nfs/dbraw/zinc/77/19/97/1321771997.db2.gz KBDHLNJYQZQDOE-AWEZNQCLSA-N 1 0 334.460 3.138 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)c1O ZINC000846156703 1321772549 /nfs/dbraw/zinc/77/25/49/1321772549.db2.gz OFOLSVUVJJCLKU-ZDUSSCGKSA-N 1 0 339.395 3.344 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000846170071 1321773674 /nfs/dbraw/zinc/77/36/74/1321773674.db2.gz VTWBYSPUGZUNFU-NVXWUHKLSA-N 1 0 329.440 3.272 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000846169958 1321773765 /nfs/dbraw/zinc/77/37/65/1321773765.db2.gz HGHIFMOCWNGLGD-GZRFBZBPSA-N 1 0 327.424 3.218 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1O ZINC000846174815 1321774551 /nfs/dbraw/zinc/77/45/51/1321774551.db2.gz ZGUZZSOLAHZBAN-NPMABZOXSA-N 1 0 333.453 3.130 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1O ZINC000848889672 1322029691 /nfs/dbraw/zinc/02/96/91/1322029691.db2.gz AEHAMWLUTLZRTR-UHFFFAOYSA-N 1 0 338.451 3.480 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1O ZINC000848891379 1322031268 /nfs/dbraw/zinc/03/12/68/1322031268.db2.gz QGIHPXONIDIMOU-KRWDZBQOSA-N 1 0 346.496 3.179 20 10 EGCDRO CCc1cccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1O ZINC000848899001 1322038009 /nfs/dbraw/zinc/03/80/09/1322038009.db2.gz BZKCQRMQOHQKLQ-UHFFFAOYSA-N 1 0 332.488 3.079 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1O ZINC000848901886 1322038958 /nfs/dbraw/zinc/03/89/58/1322038958.db2.gz FRZACVLHGFAFHV-INIZCTEOSA-N 1 0 346.858 3.042 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1 ZINC000848918656 1322046289 /nfs/dbraw/zinc/04/62/89/1322046289.db2.gz HLPCURLPHZBSHU-IBGZPJMESA-N 1 0 343.515 3.269 20 10 EGCDRO C[C@H](O)C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000848928659 1322049197 /nfs/dbraw/zinc/04/91/97/1322049197.db2.gz JUVRWHDMWPRRFJ-HNNXBMFYSA-N 1 0 327.424 3.316 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccccc2CO)c(O)c(C(C)(C)C)c1 ZINC000850073390 1322189528 /nfs/dbraw/zinc/18/95/28/1322189528.db2.gz INIHLPJOHUJYTG-UHFFFAOYSA-N 1 0 329.440 3.480 20 10 EGCDRO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000850137922 1322197803 /nfs/dbraw/zinc/19/78/03/1322197803.db2.gz YQTLYRVXAOVHOU-CQSZACIVSA-N 1 0 331.412 3.104 20 10 EGCDRO CCn1cccc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)c1=O ZINC000850280936 1322221895 /nfs/dbraw/zinc/22/18/95/1322221895.db2.gz MICNLENEMLTIFQ-UHFFFAOYSA-N 1 0 344.455 3.170 20 10 EGCDRO CCCN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000850394821 1322237824 /nfs/dbraw/zinc/23/78/24/1322237824.db2.gz FIRXWPWGKGISCN-KRWDZBQOSA-N 1 0 346.475 3.159 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Br)ccc1O ZINC000850546134 1322264064 /nfs/dbraw/zinc/26/40/64/1322264064.db2.gz WMZIDPMRDGWXMO-PWSUYJOCSA-N 1 0 328.250 3.214 20 10 EGCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850568179 1322269397 /nfs/dbraw/zinc/26/93/97/1322269397.db2.gz RAKSVDKQPFLMLK-INIZCTEOSA-N 1 0 325.456 3.202 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1O ZINC000850579523 1322271553 /nfs/dbraw/zinc/27/15/53/1322271553.db2.gz VXIDVPZNLGQJMX-RDJZCZTQSA-N 1 0 326.440 3.326 20 10 EGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000921747693 1322390444 /nfs/dbraw/zinc/39/04/44/1322390444.db2.gz RBYCEQAFVYTCLS-PXNSSMCTSA-N 1 0 346.515 3.238 20 10 EGCDRO CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC000921747696 1322390708 /nfs/dbraw/zinc/39/07/08/1322390708.db2.gz RBYCEQAFVYTCLS-YLJYHZDGSA-N 1 0 346.515 3.238 20 10 EGCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921942628 1322427002 /nfs/dbraw/zinc/42/70/02/1322427002.db2.gz VJFXMTMRNIRPRV-LJQANCHMSA-N 1 0 327.424 3.234 20 10 EGCDRO COc1cc(C[NH2+]Cc2cc(N(C)C)ccn2)c(O)c(C(C)(C)C)c1 ZINC000922477715 1322537712 /nfs/dbraw/zinc/53/77/12/1322537712.db2.gz AADWHPYGFMXOKO-UHFFFAOYSA-N 1 0 343.471 3.449 20 10 EGCDRO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000924707618 1323125370 /nfs/dbraw/zinc/12/53/70/1323125370.db2.gz NKYBQOXENVYGMD-OAHLLOKOSA-N 1 0 343.496 3.494 20 10 EGCDRO CC(C)c1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000852792068 1323243201 /nfs/dbraw/zinc/24/32/01/1323243201.db2.gz QESBOAFDRVVFFF-IBGZPJMESA-N 1 0 325.456 3.306 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854314084 1325243146 /nfs/dbraw/zinc/24/31/46/1325243146.db2.gz HVANDTGXVJGJOX-QGZVFWFLSA-N 1 0 346.519 3.157 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3c(C)noc3C)C2)cc1 ZINC000926609975 1327634610 /nfs/dbraw/zinc/63/46/10/1327634610.db2.gz BPNCRCOPMVSBTJ-BBRMVZONSA-N 1 0 329.444 3.477 20 10 EGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCO[C@@H]1CCOC1 ZINC000927081288 1327850494 /nfs/dbraw/zinc/85/04/94/1327850494.db2.gz OBYFXUNCVIXSGI-QUCCMNQESA-N 1 0 341.451 3.461 20 10 EGCDRO CN(C)c1cc(F)c(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000862247903 1329470865 /nfs/dbraw/zinc/47/08/65/1329470865.db2.gz OCSWHQSHAZNNGO-INIZCTEOSA-N 1 0 337.458 3.481 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000862396032 1329482490 /nfs/dbraw/zinc/48/24/90/1329482490.db2.gz ZJYYJWMZSIJACC-XJKSGUPXSA-N 1 0 348.240 3.463 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000862485551 1329490820 /nfs/dbraw/zinc/49/08/20/1329490820.db2.gz OYPZSISPSRCRGL-XJKSGUPXSA-N 1 0 335.444 3.201 20 10 EGCDRO Cc1cc(CNC(=O)CCCn2ccnc2)c(C)n1-c1ccccc1 ZINC000863166093 1329531708 /nfs/dbraw/zinc/53/17/08/1329531708.db2.gz STMRSXVJPDPZPT-UHFFFAOYSA-N 1 0 336.439 3.387 20 10 EGCDRO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1O ZINC000864424960 1329613594 /nfs/dbraw/zinc/61/35/94/1329613594.db2.gz RIACYDQEFVTUCK-GDBMZVCRSA-N 1 0 343.427 3.183 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000865710394 1329731434 /nfs/dbraw/zinc/73/14/34/1329731434.db2.gz BMAIPJWSJXILRN-LKFCYVNXSA-N 1 0 335.366 3.100 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H](O)C(F)(F)F ZINC000865712281 1329731844 /nfs/dbraw/zinc/73/18/44/1329731844.db2.gz YUJMVSWEGSCADJ-MEDUHNTESA-N 1 0 325.330 3.461 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000866433389 1330111567 /nfs/dbraw/zinc/11/15/67/1330111567.db2.gz BVYJJMQCOVEAIN-SWLSCSKDSA-N 1 0 341.381 3.188 20 10 EGCDRO C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccccc1O ZINC000866472028 1330116442 /nfs/dbraw/zinc/11/64/42/1330116442.db2.gz HWXSGIBXLYUTJI-AWEZNQCLSA-N 1 0 329.469 3.191 20 10 EGCDRO C[C@@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccccc1O ZINC000868006096 1330239685 /nfs/dbraw/zinc/23/96/85/1330239685.db2.gz GNRIVRVABBADES-MRXNPFEDSA-N 1 0 341.455 3.275 20 10 EGCDRO Cc1cc(CN2C[C@H](C[NH3+])CC[C@H]2C)c(O)cc1Br ZINC001206809399 1371175700 /nfs/dbraw/zinc/17/57/00/1371175700.db2.gz LPMUYZNJKSIWJC-NEPJUHHUSA-N 1 0 327.266 3.022 20 10 EGCDRO CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034051918 1342193842 /nfs/dbraw/zinc/19/38/42/1342193842.db2.gz CPYLYXGHNORBRR-INIZCTEOSA-N 1 0 345.447 3.186 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccco3)C[C@@H]2C)cc1C ZINC001035897228 1343256906 /nfs/dbraw/zinc/25/69/06/1343256906.db2.gz HALMDMCMVICTOW-DOTOQJQBSA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC=CC3)C[C@H]2C)cc1C ZINC001035970962 1343293462 /nfs/dbraw/zinc/29/34/62/1343293462.db2.gz DPCHFPMLYVLUGA-VQIMIIECSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C=C3CCC3)C[C@@H]2C)cc1C ZINC001035988786 1343302832 /nfs/dbraw/zinc/30/28/32/1343302832.db2.gz XNQALSCWZFPCOF-QFBILLFUSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)C2CC2)cc1C ZINC001037137561 1343987685 /nfs/dbraw/zinc/98/76/85/1343987685.db2.gz HFWXSBXLHFZMBY-QZTJIDSGSA-N 1 0 330.472 3.178 20 10 EGCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CCC(C)(C)C)C1 ZINC001044354859 1346308190 /nfs/dbraw/zinc/30/81/90/1346308190.db2.gz LZDKGOCRGQDDKR-UHFFFAOYSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(CF)CCC2)cc1C ZINC001045210052 1346530278 /nfs/dbraw/zinc/53/02/78/1346530278.db2.gz VMCCECQWGZLDHM-KRWDZBQOSA-N 1 0 348.462 3.224 20 10 EGCDRO CCCC[NH+]1CCC(C)(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001045647921 1346658967 /nfs/dbraw/zinc/65/89/67/1346658967.db2.gz VVROZLCHCGQOJF-UHFFFAOYSA-N 1 0 345.447 3.233 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C=C(C)C)C2)cc1C ZINC001047695642 1347336293 /nfs/dbraw/zinc/33/62/93/1347336293.db2.gz SUYORISIGMOPPI-FUHWJXTLSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC(C)C)C[C@H]2C)cc1C ZINC001048112997 1347470702 /nfs/dbraw/zinc/47/07/02/1347470702.db2.gz NJRLVMIXRYGOMO-SJLPKXTDSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(C)(C)C)C[C@H]2C)cc1C ZINC001048447059 1347552021 /nfs/dbraw/zinc/55/20/21/1347552021.db2.gz FPOFRLOSHWKUPQ-NVXWUHKLSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C)CC2)cc1C ZINC001050286791 1348227370 /nfs/dbraw/zinc/22/73/70/1348227370.db2.gz MGXNGKUDAXASMR-OPNNQBFTSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccc(C)o3)C[C@H]2C)cc1C ZINC001054363495 1349335638 /nfs/dbraw/zinc/33/56/38/1349335638.db2.gz PYRUSYFRWLOFAH-PBHICJAKSA-N 1 0 342.439 3.155 20 10 EGCDRO CCC(CC)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001054411865 1349354008 /nfs/dbraw/zinc/35/40/08/1349354008.db2.gz NMMITLBGLNYNKW-QAPCUYQASA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(C4CC4)CC3)C[C@@H]2C)cc1C ZINC001054778897 1349458989 /nfs/dbraw/zinc/45/89/89/1349458989.db2.gz UFWOSOZLCFMAIH-MAUKXSAKSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3C=CCC3)[C@H]2C)cc1C ZINC001074519332 1356202823 /nfs/dbraw/zinc/20/28/23/1356202823.db2.gz DNGKEJSNGMDXRX-SCTDSRPQSA-N 1 0 342.483 3.439 20 10 EGCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1O ZINC001183291198 1387291779 /nfs/dbraw/zinc/29/17/79/1387291779.db2.gz CSLAMBXNRPDJIW-UHFFFAOYSA-N 1 0 343.423 3.275 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(C)=O)C[C@H]2c2ccccc2)cc1C ZINC001081074876 1357813933 /nfs/dbraw/zinc/81/39/33/1357813933.db2.gz WYMFLJQTJUATED-VQTJNVASSA-N 1 0 338.451 3.108 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3(C)C)C2)cc1C ZINC001086344616 1359072913 /nfs/dbraw/zinc/07/29/13/1359072913.db2.gz XENHSIPZMNQLKU-ULQDDVLXSA-N 1 0 330.472 3.034 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086807554 1359205462 /nfs/dbraw/zinc/20/54/62/1359205462.db2.gz HJSQKFODNQIJOG-WJFTUGDTSA-N 1 0 344.499 3.424 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001323831714 1387468671 /nfs/dbraw/zinc/46/86/71/1387468671.db2.gz YAUWZJAWFKGQPJ-UKPHBRMFSA-N 1 0 345.414 3.418 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3coc(C)c3)C2)cc1C ZINC001090999926 1360973401 /nfs/dbraw/zinc/97/34/01/1360973401.db2.gz BPXISVRNXMXZJU-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C(C)(C)C3CC3)C2)cc1C ZINC001100597967 1364182073 /nfs/dbraw/zinc/18/20/73/1364182073.db2.gz CSLVURDKQFEQAY-UHFFFAOYSA-N 1 0 344.499 3.424 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC001324873919 1387798991 /nfs/dbraw/zinc/79/89/91/1387798991.db2.gz QINLXGLFQUMEHQ-SWLSCSKDSA-N 1 0 325.412 3.392 20 10 EGCDRO CCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001105840513 1366594676 /nfs/dbraw/zinc/59/46/76/1366594676.db2.gz NUTWPILGFZKOBZ-SJLPKXTDSA-N 1 0 332.488 3.378 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CCOCc3ccccc3)CC2)cc1 ZINC001192414555 1367777501 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3.160 20 10 EGCDRO CCOC[C@@H]1CN(Cc2ccccc2O)Cc2ncn(CC3CC3)c21 ZINC001203551940 1370167219 /nfs/dbraw/zinc/16/72/19/1370167219.db2.gz UJICVUCZWXBRLE-KRWDZBQOSA-N 1 0 341.455 3.135 20 10 EGCDRO CCC[N@H+]1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC001203586636 1370178955 /nfs/dbraw/zinc/17/89/55/1370178955.db2.gz RYLDGSGYFMONKM-BETUJISGSA-N 1 0 329.271 3.473 20 10 EGCDRO COc1cccc(C[N@@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)c1O ZINC001203596624 1370182663 /nfs/dbraw/zinc/18/26/63/1370182663.db2.gz MJZPALWZUMEVDM-IBGZPJMESA-N 1 0 331.387 3.288 20 10 EGCDRO COc1cccc(C[N@H+](CCNC(=O)OC(C)(C)C)C(C)C)c1O ZINC001203596493 1370182745 /nfs/dbraw/zinc/18/27/45/1370182745.db2.gz DPPPKYUBOMYBFM-UHFFFAOYSA-N 1 0 338.448 3.136 20 10 EGCDRO COc1cccc(C[NH+]2CCC(CC(=O)OC(C)(C)C)CC2)c1O ZINC001203599162 1370183069 /nfs/dbraw/zinc/18/30/69/1370183069.db2.gz ATHPQZMKEMQVHM-UHFFFAOYSA-N 1 0 335.444 3.345 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c1O ZINC001203601887 1370184012 /nfs/dbraw/zinc/18/40/12/1370184012.db2.gz PQAWJKDZUUGKBA-INIZCTEOSA-N 1 0 328.412 3.148 20 10 EGCDRO CCOc1cccc(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c1O ZINC001203614321 1370187956 /nfs/dbraw/zinc/18/79/56/1370187956.db2.gz WSAXAPUJSUTCQI-UHFFFAOYSA-N 1 0 338.451 3.109 20 10 EGCDRO COc1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC001203621264 1370190313 /nfs/dbraw/zinc/19/03/13/1370190313.db2.gz QPFPBCWNARWAHZ-GOSISDBHSA-N 1 0 326.440 3.107 20 10 EGCDRO COc1ccc(C[NH+]2CCC(Oc3ccccc3OC)CC2)c(O)c1 ZINC001203628999 1370193406 /nfs/dbraw/zinc/19/34/06/1370193406.db2.gz NBLQQOYFMFQRJI-UHFFFAOYSA-N 1 0 343.423 3.453 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCC[C@]1(C)O ZINC001203636563 1370196323 /nfs/dbraw/zinc/19/63/23/1370196323.db2.gz XIQZSRNEZFTOAW-ABAIWWIYSA-N 1 0 328.250 3.138 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001203635016 1370195232 /nfs/dbraw/zinc/19/52/32/1370195232.db2.gz GDHYIIOTWUFIOJ-QGZVFWFLSA-N 1 0 328.412 3.148 20 10 EGCDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001203642696 1370198682 /nfs/dbraw/zinc/19/86/82/1370198682.db2.gz KIDPAGBNFKDNAB-CJNGLKHVSA-N 1 0 340.261 3.403 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001203651441 1370201384 /nfs/dbraw/zinc/20/13/84/1370201384.db2.gz OMNXZFIWFUGSLE-QWHCGFSZSA-N 1 0 341.732 3.273 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203655897 1370203753 /nfs/dbraw/zinc/20/37/53/1370203753.db2.gz DPPJDYVKBYOCIM-IYBDPMFKSA-N 1 0 343.858 3.004 20 10 EGCDRO Oc1ccc(CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)cc1O ZINC001203881192 1370298353 /nfs/dbraw/zinc/29/83/53/1370298353.db2.gz NCELGRISAXYYTD-OAQYLSRUSA-N 1 0 338.451 3.338 20 10 EGCDRO COC(C[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1)OC ZINC001203930245 1370318506 /nfs/dbraw/zinc/31/85/06/1370318506.db2.gz PTRUTURXQQXFOC-UHFFFAOYSA-N 1 0 328.456 3.374 20 10 EGCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931902 1370319547 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EGCDRO C[C@]1([NH3+])CCCN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001204945794 1370612188 /nfs/dbraw/zinc/61/21/88/1370612188.db2.gz IUAGUEBFQOMCMM-FQEVSTJZSA-N 1 0 326.440 3.284 20 10 EGCDRO Cc1cc(O)c(CN2C[C@@H](C)CC[C@H]2C[NH3+])cc1Br ZINC001205855959 1370894034 /nfs/dbraw/zinc/89/40/34/1370894034.db2.gz RGDWOBXHDPYHHQ-GWCFXTLKSA-N 1 0 327.266 3.022 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(F)c(OC)c3)C2)cc1 ZINC001326045454 1388104320 /nfs/dbraw/zinc/10/43/20/1388104320.db2.gz CEQNRZRMMRRQFM-INIZCTEOSA-N 1 0 344.430 3.459 20 10 EGCDRO CCCC[NH2+]CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001206961899 1371249268 /nfs/dbraw/zinc/24/92/68/1371249268.db2.gz QFVYUYPQSMSHPF-UHFFFAOYSA-N 1 0 345.447 3.091 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CCc3cccc(OC)c3)CC2)cc1 ZINC001207434112 1371395159 /nfs/dbraw/zinc/39/51/59/1371395159.db2.gz DRAIQLCLCOHWLB-UHFFFAOYSA-N 1 0 340.467 3.459 20 10 EGCDRO CC/C(C)=C/C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001208002680 1371564713 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C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001218031501 1373543262 /nfs/dbraw/zinc/54/32/62/1373543262.db2.gz PDNAEGCUCXQGLX-ORAYPTAESA-N 1 0 335.403 3.229 20 10 EGCDRO O=C1C=CC=CC1=NNc1ccccc1OC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218080188 1373556583 /nfs/dbraw/zinc/55/65/83/1373556583.db2.gz HRRXHXPRAZPTNZ-MBIGNMCISA-N 1 0 339.395 3.421 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1C ZINC001131087188 1373639408 /nfs/dbraw/zinc/63/94/08/1373639408.db2.gz ASKBIRQROCIZKE-IEBWSBKVSA-N 1 0 344.499 3.448 20 10 EGCDRO CCCOc1ccccc1C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219120366 1373689392 /nfs/dbraw/zinc/68/93/92/1373689392.db2.gz VSSZPLAPFFFPFF-UHFFFAOYSA-N 1 0 339.439 3.137 20 10 EGCDRO Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@]2(N)CC[NH2+]C2)c(C)c1 ZINC001219206187 1373694258 /nfs/dbraw/zinc/69/42/58/1373694258.db2.gz VAASVVRVWNLIQZ-FYTMPNSFSA-N 1 0 337.427 3.348 20 10 EGCDRO CO[C@@H]1CC[N@H+](CCOC2=CC(=O)C=CC2=NNc2ccccn2)C1 ZINC001227491795 1375437644 /nfs/dbraw/zinc/43/76/44/1375437644.db2.gz INWPIBHJDZCBPK-WGLILOHCSA-N 1 0 342.399 3.302 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2ccco2)cc1C ZINC001133573620 1376099570 /nfs/dbraw/zinc/09/95/70/1376099570.db2.gz XJKMUZPKEDUTFT-CABCVRRESA-N 1 0 330.428 3.283 20 10 EGCDRO Cc1cccc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)c1O ZINC001231592772 1376273254 /nfs/dbraw/zinc/27/32/54/1376273254.db2.gz UMNGUWLGVWSUCW-IAGOWNOFSA-N 1 0 328.481 3.326 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3ccc(C)c(C)c3)CC2)c(O)cc1O ZINC001231634982 1376287240 /nfs/dbraw/zinc/28/72/40/1376287240.db2.gz SIHJZKUABMOLGF-UHFFFAOYSA-N 1 0 342.439 3.045 20 10 EGCDRO COc1cc(C[N@@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)c(O)cc1O ZINC001231636808 1376289585 /nfs/dbraw/zinc/28/95/85/1376289585.db2.gz AAWMUIVJEVXBHU-HXUWFJFHSA-N 1 0 343.423 3.162 20 10 EGCDRO Cc1cc(C)c(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c(O)c1 ZINC001231845471 1376325211 /nfs/dbraw/zinc/32/52/11/1376325211.db2.gz MFSCOLHPXBROFR-UHFFFAOYSA-N 1 0 347.846 3.496 20 10 EGCDRO Cc1cc(C)c(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)c(O)c1 ZINC001231845238 1376325517 /nfs/dbraw/zinc/32/55/17/1376325517.db2.gz XQHNHYLMJHLAHS-UHFFFAOYSA-N 1 0 342.487 3.062 20 10 EGCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231909868 1376345534 /nfs/dbraw/zinc/34/55/34/1376345534.db2.gz GOYBEUOGHHVJMZ-WMLDXEAASA-N 1 0 325.836 3.206 20 10 EGCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232262880 1376426241 /nfs/dbraw/zinc/42/62/41/1376426241.db2.gz URCNKJSTIDAAAS-SNVBAGLBSA-N 1 0 337.807 3.076 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC001232263587 1376426510 /nfs/dbraw/zinc/42/65/10/1376426510.db2.gz BBADZYNFSBRWSQ-CQSZACIVSA-N 1 0 334.803 3.190 20 10 EGCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232261083 1376426558 /nfs/dbraw/zinc/42/65/58/1376426558.db2.gz BTOMOKPMANAEMT-UHFFFAOYSA-N 1 0 349.814 3.317 20 10 EGCDRO COc1cc(Cl)cc(CN2CCN(c3ncccc3C)CC2)c1O ZINC001233287211 1376604778 /nfs/dbraw/zinc/60/47/78/1376604778.db2.gz BRGXFPFJNZWIDG-UHFFFAOYSA-N 1 0 347.846 3.080 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c1O ZINC001233291013 1376605429 /nfs/dbraw/zinc/60/54/29/1376605429.db2.gz HOWXDRUUPLXMJS-HNNXBMFYSA-N 1 0 348.830 3.411 20 10 EGCDRO COc1ccc2ccc(O)c(CN3CCCC[C@]34CC[NH2+]C4)c2c1 ZINC001235119856 1376851485 /nfs/dbraw/zinc/85/14/85/1376851485.db2.gz SRHCRLSRCCPQLG-HXUWFJFHSA-N 1 0 326.440 3.272 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061412 1376929067 /nfs/dbraw/zinc/92/90/67/1376929067.db2.gz RMGKOMSWSFCQIU-HKUYNNGSSA-N 1 0 338.451 3.155 20 10 EGCDRO CN1CCCc2cc(CN3CC[NH2+]C[C@@H]3c3cccs3)ccc21 ZINC001236114458 1376933106 /nfs/dbraw/zinc/93/31/06/1376933106.db2.gz LKOFUWXAPQZZNK-GOSISDBHSA-N 1 0 327.497 3.277 20 10 EGCDRO O=C1CCC2(CC[NH+](Cc3cc(C(F)(F)F)ccc3O)CC2)O1 ZINC001237140445 1376975705 /nfs/dbraw/zinc/97/57/05/1376975705.db2.gz LWOITPBTEUVMSB-UHFFFAOYSA-N 1 0 329.318 3.083 20 10 EGCDRO CCCC[C@@H]1C[C@H](N2CCN(c3ccc(OC)cc3C)CC2)CC[NH2+]1 ZINC001246937166 1377056474 /nfs/dbraw/zinc/05/64/74/1377056474.db2.gz ZLYPWGVEMFVRQY-RTBURBONSA-N 1 0 345.531 3.436 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c(C)n1-c1ccccc1 ZINC001137855903 1377631720 /nfs/dbraw/zinc/63/17/20/1377631720.db2.gz JLHOUAODVJXVAO-FQEVSTJZSA-N 1 0 340.467 3.210 20 10 EGCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cccc(F)c1O)[C@@H]2C ZINC001138126624 1377681032 /nfs/dbraw/zinc/68/10/32/1377681032.db2.gz FUKFXJWWHFTZKJ-CQSZACIVSA-N 1 0 346.450 3.145 20 10 EGCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129444 1377683042 /nfs/dbraw/zinc/68/30/42/1377683042.db2.gz DGXJGYUPTYFSRL-HKUYNNGSSA-N 1 0 340.442 3.485 20 10 EGCDRO Cc1c(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c2ccccc2n1C ZINC001138255423 1377694419 /nfs/dbraw/zinc/69/44/19/1377694419.db2.gz GMNVHRAKPWUCSL-SFHVURJKSA-N 1 0 339.483 3.177 20 10 EGCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138353960 1377707874 /nfs/dbraw/zinc/70/78/74/1377707874.db2.gz OCNDLBUXVRJJOB-IBGZPJMESA-N 1 0 343.515 3.149 20 10 EGCDRO CN1CCCc2cc(C[N@H+](C)CCNC(=O)OC(C)(C)C)ccc21 ZINC001138354571 1377708781 /nfs/dbraw/zinc/70/87/81/1377708781.db2.gz NSPRZRGSNNHTIE-UHFFFAOYSA-N 1 0 333.476 3.026 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c(OC)c1 ZINC001138388935 1377714175 /nfs/dbraw/zinc/71/41/75/1377714175.db2.gz BKVWHXXCQRSVKR-UHFFFAOYSA-N 1 0 346.471 3.213 20 10 EGCDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c([O-])ccc3c(C)cc(=O)oc32)no1 ZINC001139126413 1377833924 /nfs/dbraw/zinc/83/39/24/1377833924.db2.gz GHOPVSRICPOPIY-INIZCTEOSA-N 1 0 340.379 3.441 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)ccc1N(C)C ZINC001139669978 1377930315 /nfs/dbraw/zinc/93/03/15/1377930315.db2.gz STRSZUOENBXRDI-CVEARBPZSA-N 1 0 348.384 3.288 20 10 EGCDRO O=C1CC2(CC[NH+](Cc3cc(F)ccc3O)CC2)c2ccccc2N1 ZINC001140055651 1377996808 /nfs/dbraw/zinc/99/68/08/1377996808.db2.gz NZDSOTPXTHFADL-UHFFFAOYSA-N 1 0 340.398 3.407 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@H]1c1ccccc1 ZINC001140062858 1377998891 /nfs/dbraw/zinc/99/88/91/1377998891.db2.gz GUBPCCGFDGZLRT-AEFFLSMTSA-N 1 0 329.371 3.268 20 10 EGCDRO Oc1ccc2c(c1)CCN(Cc1c(O)cccc1Br)C2 ZINC001140100314 1378007745 /nfs/dbraw/zinc/00/77/45/1378007745.db2.gz KQCHARCSBSMBKJ-UHFFFAOYSA-N 1 0 334.213 3.419 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)c1O ZINC001140178974 1378026103 /nfs/dbraw/zinc/02/61/03/1378026103.db2.gz AEGGTKBDKVROBS-UHFFFAOYSA-N 1 0 336.435 3.495 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)Cc2cnn(CC)c21 ZINC001140180224 1378026263 /nfs/dbraw/zinc/02/62/63/1378026263.db2.gz LIHJVJIFDRUKOA-QGZVFWFLSA-N 1 0 343.471 3.361 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC001140182722 1378027058 /nfs/dbraw/zinc/02/70/58/1378027058.db2.gz YHDSFLLWROTMRB-HNNXBMFYSA-N 1 0 334.460 3.356 20 10 EGCDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184753 1378028155 /nfs/dbraw/zinc/02/81/55/1378028155.db2.gz GZUFXFWDHLTCLJ-HNNXBMFYSA-N 1 0 328.412 3.066 20 10 EGCDRO CCOc1cccc(N2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)n1 ZINC001140183838 1378028508 /nfs/dbraw/zinc/02/85/08/1378028508.db2.gz JMLXXYXFDAENMP-UHFFFAOYSA-N 1 0 341.455 3.125 20 10 EGCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1cccnc1 ZINC001140285343 1378041195 /nfs/dbraw/zinc/04/11/95/1378041195.db2.gz JSECAVYUKLBEQV-UHFFFAOYSA-N 1 0 325.456 3.065 20 10 EGCDRO COC(=O)c1ccc(C2C[NH+](Cc3c(O)cccc3Cl)C2)cc1 ZINC001140342459 1378050211 /nfs/dbraw/zinc/05/02/11/1378050211.db2.gz JZKGICYOTSEMSZ-UHFFFAOYSA-N 1 0 331.799 3.432 20 10 EGCDRO COc1cccc(OC2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC001140342411 1378050339 /nfs/dbraw/zinc/05/03/39/1378050339.db2.gz IKEJFKFARMGINR-UHFFFAOYSA-N 1 0 348.830 3.493 20 10 EGCDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140344268 1378050747 /nfs/dbraw/zinc/05/07/47/1378050747.db2.gz GYTBFHCLRCOUHN-GOSISDBHSA-N 1 0 336.863 3.413 20 10 EGCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140466580 1378069033 /nfs/dbraw/zinc/06/90/33/1378069033.db2.gz HIKHIMHSQFAFQZ-RDTXWAMCSA-N 1 0 339.863 3.453 20 10 EGCDRO Cc1cccnc1N1CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140467217 1378069175 /nfs/dbraw/zinc/06/91/75/1378069175.db2.gz PYWJOBWPLUTLCK-UHFFFAOYSA-N 1 0 331.847 3.461 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001140619530 1378099618 /nfs/dbraw/zinc/09/96/18/1378099618.db2.gz GNGHAZFYSWVDEP-JKSUJKDBSA-N 1 0 332.444 3.142 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001140619676 1378099634 /nfs/dbraw/zinc/09/96/34/1378099634.db2.gz JWDYBJNYKKPKNQ-LJQANCHMSA-N 1 0 332.444 3.286 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001140623606 1378100492 /nfs/dbraw/zinc/10/04/92/1378100492.db2.gz XYVHDZDXRSANJR-NVXWUHKLSA-N 1 0 346.471 3.389 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1O ZINC001140746275 1378129018 /nfs/dbraw/zinc/12/90/18/1378129018.db2.gz XOHCZDSLOFWSKD-UHFFFAOYSA-N 1 0 346.471 3.021 20 10 EGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c(C)c1 ZINC001140749331 1378129117 /nfs/dbraw/zinc/12/91/17/1378129117.db2.gz VUQWVWASCUGMPV-UHFFFAOYSA-N 1 0 326.440 3.345 20 10 EGCDRO CCOC(=O)C1(C(C)C)CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749978 1378129401 /nfs/dbraw/zinc/12/94/01/1378129401.db2.gz QYYDUGSDTOMNJV-UHFFFAOYSA-N 1 0 335.444 3.208 20 10 EGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)c1 ZINC001140749470 1378129405 /nfs/dbraw/zinc/12/94/05/1378129405.db2.gz BCQHRDUYMMDRJD-INIZCTEOSA-N 1 0 328.412 3.153 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3nccs3)CC2)c(O)c1 ZINC001140850947 1378158768 /nfs/dbraw/zinc/15/87/68/1378158768.db2.gz WQFLYNKJWGBQNO-UHFFFAOYSA-N 1 0 346.500 3.017 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c(Cl)c1 ZINC001140923553 1378181871 /nfs/dbraw/zinc/18/18/71/1378181871.db2.gz DEKHRXOYEHAZAT-UHFFFAOYSA-N 1 0 349.906 3.287 20 10 EGCDRO CCO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001140922416 1378182085 /nfs/dbraw/zinc/18/20/85/1378182085.db2.gz QLCSSKCULKEUDC-KURKYZTESA-N 1 0 338.879 3.174 20 10 EGCDRO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3Cl)C2)no1 ZINC001140922598 1378182253 /nfs/dbraw/zinc/18/22/53/1378182253.db2.gz VYYMBSFDVMGBSH-AWEZNQCLSA-N 1 0 334.851 3.477 20 10 EGCDRO C[N@H+]1CC[C@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3O)C[C@H]2CC1 ZINC001276837379 1378189429 /nfs/dbraw/zinc/18/94/29/1378189429.db2.gz AFNKEBVZQMIVFG-BETUJISGSA-N 1 0 328.378 3.185 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c(O)c1 ZINC001140954490 1378192214 /nfs/dbraw/zinc/19/22/14/1378192214.db2.gz UKVMHUUWWBXRJP-UHFFFAOYSA-N 1 0 342.414 3.234 20 10 EGCDRO c1c(CN2CCC[C@@H]2C[NH+]2CCCC2)cc2c3c1CCCN3CCC2 ZINC001141076251 1378232368 /nfs/dbraw/zinc/23/23/68/1378232368.db2.gz OJJSAULLYXJWLE-OAQYLSRUSA-N 1 0 339.527 3.446 20 10 EGCDRO c1c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141074519 1378232578 /nfs/dbraw/zinc/23/25/78/1378232578.db2.gz KQKXXKBGLYAASE-UXHICEINSA-N 1 0 326.484 3.386 20 10 EGCDRO c1c(C[NH+]2CCC3(CCOC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141074548 1378233092 /nfs/dbraw/zinc/23/30/92/1378233092.db2.gz LVDLYOFBTJTHFD-UHFFFAOYSA-N 1 0 326.484 3.388 20 10 EGCDRO CN1CCOc2cc(CN3CC[N@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC001141139264 1378247334 /nfs/dbraw/zinc/24/73/34/1378247334.db2.gz OUGSCNBIROFHCF-HXUWFJFHSA-N 1 0 337.467 3.004 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](Oc4cccc(F)c4)C3)ccc21 ZINC001141146120 1378248494 /nfs/dbraw/zinc/24/84/94/1378248494.db2.gz LHHXIODTTJKWCQ-GOSISDBHSA-N 1 0 342.414 3.308 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)c(OC)c1 ZINC001141144266 1378248983 /nfs/dbraw/zinc/24/89/83/1378248983.db2.gz XVOYUGIPKSZJPZ-UHFFFAOYSA-N 1 0 342.439 3.164 20 10 EGCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143110803 1378542022 /nfs/dbraw/zinc/54/20/22/1378542022.db2.gz PQEVTMLDCYHCBG-OAHLLOKOSA-N 1 0 347.455 3.034 20 10 EGCDRO COC(=O)c1ccc2[nH]cc(C[N@@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001143239307 1378568388 /nfs/dbraw/zinc/56/83/88/1378568388.db2.gz OYGCFXDWPYDJLB-UHFFFAOYSA-N 1 0 336.391 3.218 20 10 EGCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144306860 1378713856 /nfs/dbraw/zinc/71/38/56/1378713856.db2.gz UQBMWOMPRAPMDR-CYBMUJFWSA-N 1 0 332.213 3.029 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(COc3ccc(F)cc3)CC2)c(O)c1 ZINC001144515187 1378739891 /nfs/dbraw/zinc/73/98/91/1378739891.db2.gz HDAXPSNMDUQVAZ-UHFFFAOYSA-N 1 0 347.386 3.234 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)c(O)c1 ZINC001144520632 1378740081 /nfs/dbraw/zinc/74/00/81/1378740081.db2.gz WWSANZCZFBDKFF-HXUWFJFHSA-N 1 0 343.398 3.423 20 10 EGCDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001328083782 1388665965 /nfs/dbraw/zinc/66/59/65/1388665965.db2.gz GJAGPUUPWGOXPH-QGZVFWFLSA-N 1 0 329.488 3.023 20 10 EGCDRO CC(C)Oc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156658809 1380606008 /nfs/dbraw/zinc/60/60/08/1380606008.db2.gz ZWSXRZUKLCDARC-UHFFFAOYSA-N 1 0 340.471 3.233 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC001157431889 1380889251 /nfs/dbraw/zinc/88/92/51/1380889251.db2.gz AUNAHZNTBXFYND-HKUYNNGSSA-N 1 0 338.451 3.449 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC001157435016 1380892385 /nfs/dbraw/zinc/89/23/85/1380892385.db2.gz QWAJZHHOMADCMC-PSZVPEGOSA-N 1 0 330.472 3.137 20 10 EGCDRO Clc1cc(Nc2ccc3c(c2)OCCN3)ccc1N1CC[NH2+]CC1 ZINC001159858465 1381921809 /nfs/dbraw/zinc/92/18/09/1381921809.db2.gz GSEDGTDRJCBJGP-UHFFFAOYSA-N 1 0 344.846 3.298 20 10 EGCDRO CCOC(=O)c1c[nH]c2cc(NCc3cccc(C)c3O)[nH+]cc21 ZINC001160770144 1382190530 /nfs/dbraw/zinc/19/05/30/1382190530.db2.gz RLFFBMQSYYDGEG-UHFFFAOYSA-N 1 0 325.368 3.366 20 10 EGCDRO Cc1cccc(CNc2ccc(OCC3CC[NH2+]CC3)cn2)c1O ZINC001160771210 1382191552 /nfs/dbraw/zinc/19/15/52/1382191552.db2.gz OBXXCYHTDFSHLM-UHFFFAOYSA-N 1 0 327.428 3.086 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001328687702 1388808662 /nfs/dbraw/zinc/80/86/62/1388808662.db2.gz BPKHINHBNADGDC-CALCHBBNSA-N 1 0 347.503 3.258 20 10 EGCDRO COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc(O)cc3O)CCO2)cc1 ZINC001168598196 1383945042 /nfs/dbraw/zinc/94/50/42/1383945042.db2.gz DGZNQKKNGRSREX-KXBFYZLASA-N 1 0 329.396 3.116 20 10 EGCDRO COc1ccc([C@@H]2C[C@H]([NH2+]Cc3cccc(O)c3O)CCO2)cc1 ZINC001168608076 1383947812 /nfs/dbraw/zinc/94/78/12/1383947812.db2.gz KFZQMJSMHOPPHZ-QAPCUYQASA-N 1 0 329.396 3.116 20 10 EGCDRO CCOC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001169661630 1384169963 /nfs/dbraw/zinc/16/99/63/1384169963.db2.gz KODNFTGOVWBLSZ-DOTOQJQBSA-N 1 0 333.476 3.414 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1C ZINC001169678539 1384172520 /nfs/dbraw/zinc/17/25/20/1384172520.db2.gz DBHFKJLICZGBKC-RBUKOAKNSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@]2(C)C(C)C)cc1C ZINC001169766271 1384184444 /nfs/dbraw/zinc/18/44/44/1384184444.db2.gz PMPDLGQKBRWLCG-YLJYHZDGSA-N 1 0 332.488 3.282 20 10 EGCDRO CN(c1cc2c(c(OCc3ccccc3)c1)OCO2)C(C)(C)C[NH3+] ZINC001170059617 1384227388 /nfs/dbraw/zinc/22/73/88/1384227388.db2.gz OYBCAYUYPFZRGI-UHFFFAOYSA-N 1 0 328.412 3.168 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(F)cc2C)cc1C ZINC001171688523 1384602508 /nfs/dbraw/zinc/60/25/08/1384602508.db2.gz BIQWUMGZCCRMHW-UHFFFAOYSA-N 1 0 344.430 3.361 20 10 EGCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)cc1O ZINC001172530940 1384809165 /nfs/dbraw/zinc/80/91/65/1384809165.db2.gz FHZBBPIXPRJHST-SYNHAJSKSA-N 1 0 327.424 3.447 20 10 EGCDRO Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC001173000293 1384897339 /nfs/dbraw/zinc/89/73/39/1384897339.db2.gz ZXUCOTUXPTYBEV-UHFFFAOYSA-N 1 0 342.414 3.234 20 10 EGCDRO O=C(C[NH2+]C1CCC(Oc2ccccc2)CC1)c1ccc(O)c(O)c1 ZINC001173199480 1384934665 /nfs/dbraw/zinc/93/46/65/1384934665.db2.gz FPEWNKXUQFEPHT-UHFFFAOYSA-N 1 0 341.407 3.260 20 10 EGCDRO COC(=O)CCCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001173445897 1384971578 /nfs/dbraw/zinc/97/15/78/1384971578.db2.gz PBUUYQVDJDAEEK-INIZCTEOSA-N 1 0 348.487 3.068 20 10 EGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001329155993 1388994795 /nfs/dbraw/zinc/99/47/95/1388994795.db2.gz KQXVTXLEUXAZGO-AWEZNQCLSA-N 1 0 338.398 3.361 20 10 EGCDRO CN1CCN(c2ccc(C[N@H+](C)Cc3ccccc3)cc2F)CC1 ZINC001319513142 1386154705 /nfs/dbraw/zinc/15/47/05/1386154705.db2.gz NECJSAFNIWGSAC-UHFFFAOYSA-N 1 0 327.447 3.210 20 10 EGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC001319971348 1386428161 /nfs/dbraw/zinc/42/81/61/1386428161.db2.gz UUPCUSRDGVQXCP-VQIMIIECSA-N 1 0 331.504 3.442 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(N2CCCC2)CCOCC1 ZINC001320410735 1386602732 /nfs/dbraw/zinc/60/27/32/1386602732.db2.gz GHKBJOKAEFXRQO-IRXDYDNUSA-N 1 0 344.499 3.484 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC001320425029 1386606340 /nfs/dbraw/zinc/60/63/40/1386606340.db2.gz RXPAUOVSWCLVGY-NWGLXNPWSA-N 1 0 341.451 3.323 20 10 EGCDRO CN(C)c1ccc(/C=C/C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC001180125685 1386705752 /nfs/dbraw/zinc/70/57/52/1386705752.db2.gz MPAZUGZYXZDMSZ-YPNIWSFNSA-N 1 0 341.499 3.243 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC001321022817 1386786619 /nfs/dbraw/zinc/78/66/19/1386786619.db2.gz JXQAIXHGBIHQJU-CABCVRRESA-N 1 0 340.471 3.399 20 10 EGCDRO CSCCCCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321386573 1386891579 /nfs/dbraw/zinc/89/15/79/1386891579.db2.gz GTHPIYQPNVFHOW-UHFFFAOYSA-N 1 0 339.524 3.200 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2ccc(Br)o2)c(O)c1 ZINC001321633555 1386945330 /nfs/dbraw/zinc/94/53/30/1386945330.db2.gz HVYZCMIXCGKHCW-UHFFFAOYSA-N 1 0 326.190 3.436 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181981233 1387086290 /nfs/dbraw/zinc/08/62/90/1387086290.db2.gz WGFYEQKCHIFCNI-DNVCBOLYSA-N 1 0 344.499 3.479 20 10 EGCDRO COc1cccc(N2CCC([NH2+]Cc3ccc(C)cc3O)CC2)c1 ZINC001330627703 1389476135 /nfs/dbraw/zinc/47/61/35/1389476135.db2.gz XIZHVSGUFYWVPG-UHFFFAOYSA-N 1 0 326.440 3.468 20 10 EGCDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001331450515 1389753181 /nfs/dbraw/zinc/75/31/81/1389753181.db2.gz HFDVUELPAGSJNR-MRXNPFEDSA-N 1 0 346.519 3.110 20 10 EGCDRO CC1(C(=O)NCc2ccc(N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001342701194 1390643158 /nfs/dbraw/zinc/64/31/58/1390643158.db2.gz YDBXEZIHNWPSRL-UHFFFAOYSA-N 1 0 337.467 3.187 20 10 EGCDRO CN(C)c1ccc([C@@H](CNc2nccnc2C(F)F)[NH+](C)C)cc1 ZINC001343306024 1390706454 /nfs/dbraw/zinc/70/64/54/1390706454.db2.gz NILARFYKXHWQLG-CQSZACIVSA-N 1 0 335.402 3.195 20 10 EGCDRO CCOC(=O)c1csc([C@H]2CCCN2Cc2ccc(N)cc2)n1 ZINC001345159543 1390842120 /nfs/dbraw/zinc/84/21/20/1390842120.db2.gz KCDDXZBLFHPDLW-OAHLLOKOSA-N 1 0 331.441 3.239 20 10 EGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)N1CCCC1 ZINC001346027216 1390901829 /nfs/dbraw/zinc/90/18/29/1390901829.db2.gz BJFJQTUBDGQRLI-IBGZPJMESA-N 1 0 329.488 3.023 20 10 EGCDRO CN1CCN(c2ccc(C[NH+](CC3CC3)CC3CC3)cc2F)CC1 ZINC001347323412 1391054303 /nfs/dbraw/zinc/05/43/03/1391054303.db2.gz RAAQFBZPYTZSAM-UHFFFAOYSA-N 1 0 331.479 3.200 20 10 EGCDRO CC(C)C[C@H](CCO)C[NH2+]Cc1c(O)cccc1Br ZINC001348267301 1391195799 /nfs/dbraw/zinc/19/57/99/1391195799.db2.gz BVVSCEGHFTYFLU-LBPRGKRZSA-N 1 0 330.266 3.289 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccoc2C)cc1C ZINC001733899129 1437716678 /nfs/dbraw/zinc/71/66/78/1437716678.db2.gz MKGJKFHKSBYMFH-AWEZNQCLSA-N 1 0 330.428 3.203 20 10 EGCDRO CCC[N@@H+](CC=C(C)C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001753150670 1440327713 /nfs/dbraw/zinc/32/77/13/1440327713.db2.gz MWVPHNFQQOHOOC-UHFFFAOYSA-N 1 0 345.447 3.257 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cccs2)C2CC2)cc1C ZINC001754436905 1440598323 /nfs/dbraw/zinc/59/83/23/1440598323.db2.gz SVMWFIQSILOAFN-INIZCTEOSA-N 1 0 344.480 3.363 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)c3ccco3)C2)cc1C ZINC001754900168 1440706903 /nfs/dbraw/zinc/70/69/03/1440706903.db2.gz AFDKQEWFLOXEKO-INIZCTEOSA-N 1 0 342.439 3.239 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cccc(F)c2)cc1C ZINC001755224070 1440785512 /nfs/dbraw/zinc/78/55/12/1440785512.db2.gz PRSHPOXKQINALO-CABCVRRESA-N 1 0 344.430 3.439 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccsc2)cc1C ZINC001755227073 1440786180 /nfs/dbraw/zinc/78/61/80/1440786180.db2.gz ROVSCEZGHGHDGG-KGLIPLIRSA-N 1 0 332.469 3.362 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001755583412 1440879918 /nfs/dbraw/zinc/87/99/18/1440879918.db2.gz GDLFVYWFEJRPFQ-WOGUSJMUSA-N 1 0 344.499 3.376 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824618644 946868904 /nfs/dbraw/zinc/86/89/04/946868904.db2.gz QKNBYKTYBMLPHV-AWEZNQCLSA-N 1 0 348.454 3.100 20 10 EGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528415578 313088264 /nfs/dbraw/zinc/08/82/64/313088264.db2.gz FTUNDUICNBMBCC-MRXNPFEDSA-N 1 0 348.805 3.422 20 10 EGCDRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1O ZINC000183381373 455285140 /nfs/dbraw/zinc/28/51/40/455285140.db2.gz RXKPZWCIQGAPGP-HNAYVOBHSA-N 1 0 344.430 3.255 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1O ZINC000183589876 455308909 /nfs/dbraw/zinc/30/89/09/455308909.db2.gz DDURDESRZQLRNG-NWDGAFQWSA-N 1 0 332.350 3.127 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000089211657 454126264 /nfs/dbraw/zinc/12/62/64/454126264.db2.gz XTKROIGEAPPBSL-CQSZACIVSA-N 1 0 330.476 3.298 20 10 EGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089651931 454173961 /nfs/dbraw/zinc/17/39/61/454173961.db2.gz YBNUJMGDDQUMOO-UHFFFAOYSA-N 1 0 325.330 3.435 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(CNCc2nncn2C)cc1 ZINC000119390113 454191980 /nfs/dbraw/zinc/19/19/80/454191980.db2.gz AZOSAZHTYQWHDN-UHFFFAOYSA-N 1 0 335.455 3.131 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)OCO2 ZINC000119607038 454207834 /nfs/dbraw/zinc/20/78/34/454207834.db2.gz KVLPYQPVEVQNPS-AWEZNQCLSA-N 1 0 347.436 3.364 20 10 EGCDRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000064229520 454469016 /nfs/dbraw/zinc/46/90/16/454469016.db2.gz RKVDNIUZQGNMLC-UHFFFAOYSA-N 1 0 341.455 3.186 20 10 EGCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)OCO2 ZINC000091891491 454484058 /nfs/dbraw/zinc/48/40/58/454484058.db2.gz MBQVIYZICUHCSU-HIFRSBDPSA-N 1 0 347.436 3.271 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000091958275 454494258 /nfs/dbraw/zinc/49/42/58/454494258.db2.gz PLLXPLAVLZKWKE-HOTGVXAUSA-N 1 0 331.412 3.472 20 10 EGCDRO CCOc1c(OC)cc(C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000091974625 454497834 /nfs/dbraw/zinc/49/78/34/454497834.db2.gz XOWWRZHKYBYTPW-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000092645332 454599512 /nfs/dbraw/zinc/59/95/12/454599512.db2.gz IPVYMLMJNNTTBO-UHFFFAOYSA-N 1 0 339.483 3.235 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCC)C2)c(O)c1 ZINC000092708538 454615128 /nfs/dbraw/zinc/61/51/28/454615128.db2.gz LFULHDLTAMCISP-MRXNPFEDSA-N 1 0 334.460 3.062 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176640118 454767019 /nfs/dbraw/zinc/76/70/19/454767019.db2.gz FOTJYAYGLGXLCE-IAGOWNOFSA-N 1 0 333.476 3.187 20 10 EGCDRO CC(C)NC(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176676608 454770511 /nfs/dbraw/zinc/77/05/11/454770511.db2.gz QCOIWGLHPHEMEX-MRXNPFEDSA-N 1 0 326.440 3.480 20 10 EGCDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000153528212 454803342 /nfs/dbraw/zinc/80/33/42/454803342.db2.gz YGNCTNVASHPXOC-CYBMUJFWSA-N 1 0 327.380 3.119 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109769137 454835302 /nfs/dbraw/zinc/83/53/02/454835302.db2.gz ACPPZOURABCEMN-HNNXBMFYSA-N 1 0 334.460 3.471 20 10 EGCDRO Cc1ccc(O)c(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000125926878 454856612 /nfs/dbraw/zinc/85/66/12/454856612.db2.gz INEQISDJUGLJPU-AWEZNQCLSA-N 1 0 333.453 3.297 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000126565958 454902953 /nfs/dbraw/zinc/90/29/53/454902953.db2.gz IXHHPUMHKNYPOI-MRXNPFEDSA-N 1 0 341.503 3.354 20 10 EGCDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1c(O)cccc1Cl ZINC000113314334 454922039 /nfs/dbraw/zinc/92/20/39/454922039.db2.gz GZYJNZJTDZIKGE-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000182324570 455489084 /nfs/dbraw/zinc/48/90/84/455489084.db2.gz PJLQVYRVODIZEL-MRXNPFEDSA-N 1 0 325.456 3.028 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000179674568 455066010 /nfs/dbraw/zinc/06/60/10/455066010.db2.gz KAANHEXMZMKWLF-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1O ZINC000179848106 455088013 /nfs/dbraw/zinc/08/80/13/455088013.db2.gz BNVAXHRMOPVCJO-UHFFFAOYSA-N 1 0 339.439 3.487 20 10 EGCDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)nc1 ZINC000179938199 455102463 /nfs/dbraw/zinc/10/24/63/455102463.db2.gz JRFIYJIOQHZUAT-CQSZACIVSA-N 1 0 343.402 3.085 20 10 EGCDRO CCOC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000189344909 455180582 /nfs/dbraw/zinc/18/05/82/455180582.db2.gz NCZUONPJVJNJBX-YJBOKZPZSA-N 1 0 338.467 3.374 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1O ZINC000183446040 455293764 /nfs/dbraw/zinc/29/37/64/455293764.db2.gz WXOCVBGHQOLNHX-KUHUBIRLSA-N 1 0 340.423 3.361 20 10 EGCDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000265099744 455300435 /nfs/dbraw/zinc/30/04/35/455300435.db2.gz SWDIEHUSMYOUGZ-OAHLLOKOSA-N 1 0 341.455 3.321 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158496599 455308761 /nfs/dbraw/zinc/30/87/61/455308761.db2.gz KNKJPCAMSQUWKA-CABCVRRESA-N 1 0 329.419 3.469 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccn1 ZINC000158774002 455328147 /nfs/dbraw/zinc/32/81/47/455328147.db2.gz WINPIWLPQBMJRK-CQSZACIVSA-N 1 0 329.419 3.033 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3OC)c2)CC1 ZINC000184284475 455367948 /nfs/dbraw/zinc/36/79/48/455367948.db2.gz BWTQVVLRWWBNJM-UHFFFAOYSA-N 1 0 339.439 3.089 20 10 EGCDRO Cc1ccc([C@H](C[NH2+]Cc2cc(C)c(C)cc2O)N2CCOCC2)o1 ZINC000174251809 455373731 /nfs/dbraw/zinc/37/37/31/455373731.db2.gz UWYCEHPSAGAXEC-SFHVURJKSA-N 1 0 344.455 3.074 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1O ZINC000184744833 455440338 /nfs/dbraw/zinc/44/03/38/455440338.db2.gz FLTOMFYEKATBJA-ZDUSSCGKSA-N 1 0 341.835 3.029 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC000184967252 455479198 /nfs/dbraw/zinc/47/91/98/455479198.db2.gz MRAIPPXWCIRKIS-CQSZACIVSA-N 1 0 328.412 3.249 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000185068851 455495857 /nfs/dbraw/zinc/49/58/57/455495857.db2.gz YHUSBZXCRYPHIT-HNNXBMFYSA-N 1 0 341.455 3.111 20 10 EGCDRO COc1cccc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)c1O ZINC000191600583 455501629 /nfs/dbraw/zinc/50/16/29/455501629.db2.gz KAKWVJHVCRVUBI-ZDUSSCGKSA-N 1 0 339.395 3.225 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)cc1O ZINC000185122533 455506045 /nfs/dbraw/zinc/50/60/45/455506045.db2.gz GNPIYFBNBZGGPY-GPNNCHTKSA-N 1 0 348.240 3.464 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(=O)NC(C)(C)C ZINC000185218137 455523637 /nfs/dbraw/zinc/52/36/37/455523637.db2.gz SFXWQTGOLXDEGN-VHSXEESVSA-N 1 0 343.265 3.109 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c1O ZINC000192027381 455544989 /nfs/dbraw/zinc/54/49/89/455544989.db2.gz PCKXPAJXASWHJF-FQEVSTJZSA-N 1 0 340.467 3.081 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Br)cc1O ZINC000185373467 455550835 /nfs/dbraw/zinc/55/08/35/455550835.db2.gz LZGFSBXJTPCQPB-LLVKDONJSA-N 1 0 336.229 3.498 20 10 EGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185487309 455564591 /nfs/dbraw/zinc/56/45/91/455564591.db2.gz BYSKGUBZNUBUEB-DJJJIMSYSA-N 1 0 331.412 3.102 20 10 EGCDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3O)CC2)ncn1 ZINC000185643185 455588599 /nfs/dbraw/zinc/58/85/99/455588599.db2.gz AMJDZPFAXMFCBM-ZDUSSCGKSA-N 1 0 344.434 3.203 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(N2CCOCC2)c(F)c1 ZINC000271534001 455674742 /nfs/dbraw/zinc/67/47/42/455674742.db2.gz RRZWXBGPGFKJHE-CXAGYDPISA-N 1 0 344.434 3.114 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c(O)c1 ZINC000186078919 455690019 /nfs/dbraw/zinc/69/00/19/455690019.db2.gz RVURXCGAGKBVKG-HNNXBMFYSA-N 1 0 340.423 3.167 20 10 EGCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000268780002 455712974 /nfs/dbraw/zinc/71/29/74/455712974.db2.gz PHLCIACQUBSKJO-QWHCGFSZSA-N 1 0 346.393 3.055 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1 ZINC000271739382 455741091 /nfs/dbraw/zinc/74/10/91/455741091.db2.gz QDZLJMIINOVNNB-UHFFFAOYSA-N 1 0 331.416 3.287 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000193275333 455750349 /nfs/dbraw/zinc/75/03/49/455750349.db2.gz FBHKCABVTPZEDD-CQSZACIVSA-N 1 0 335.787 3.252 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1C ZINC000284882020 455756048 /nfs/dbraw/zinc/75/60/48/455756048.db2.gz ZJQZXNYYVRBBOT-LPHOPBHVSA-N 1 0 329.444 3.406 20 10 EGCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(OC)cc1O ZINC000271835112 455779986 /nfs/dbraw/zinc/77/99/86/455779986.db2.gz RUMLMCQRUZUXAF-UHFFFAOYSA-N 1 0 345.395 3.160 20 10 EGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000293424036 455785706 /nfs/dbraw/zinc/78/57/06/455785706.db2.gz IXESFVPPFGDXSS-UHFFFAOYSA-N 1 0 325.456 3.053 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c(O)c1 ZINC000293579442 455791414 /nfs/dbraw/zinc/79/14/14/455791414.db2.gz DUNFOTQKCXDKDQ-INIZCTEOSA-N 1 0 336.439 3.500 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c(O)c1 ZINC000293756786 455796160 /nfs/dbraw/zinc/79/61/60/455796160.db2.gz QWLYLBOGHXHRNW-MRXNPFEDSA-N 1 0 326.440 3.388 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000293804488 455798535 /nfs/dbraw/zinc/79/85/35/455798535.db2.gz DNGQMSWYDZTRPF-LJQANCHMSA-N 1 0 327.424 3.394 20 10 EGCDRO COc1c(O)c(C[NH2+][C@H](c2ncccc2C)C(C)C)ccc1[N+](=O)[O-] ZINC000278309954 455814025 /nfs/dbraw/zinc/81/40/25/455814025.db2.gz DWRHVNXSIIEAIW-HNNXBMFYSA-N 1 0 345.399 3.499 20 10 EGCDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294444895 455816195 /nfs/dbraw/zinc/81/61/95/455816195.db2.gz VJLXWBDXTPCHGV-KFCXZAFISA-N 1 0 331.481 3.423 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285305954 455821221 /nfs/dbraw/zinc/82/12/21/455821221.db2.gz WDWBSIJVWCTYPP-UKRRQHHQSA-N 1 0 326.234 3.298 20 10 EGCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294669658 455823396 /nfs/dbraw/zinc/82/33/96/455823396.db2.gz ALRIYKSXQDNYQC-JLCFBVMHSA-N 1 0 336.526 3.241 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(N(C)C)cc1 ZINC000278504482 455837394 /nfs/dbraw/zinc/83/73/94/455837394.db2.gz QUDYCEHCAXVULI-PKOBYXMFSA-N 1 0 341.503 3.196 20 10 EGCDRO COc1c(O)c(C[NH2+][C@@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000278538356 455838410 /nfs/dbraw/zinc/83/84/10/455838410.db2.gz WVQBGVABIQEBMA-VIFPVBQESA-N 1 0 338.310 3.438 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](OC)C[C@H]3C)cc2)CC1 ZINC000295424628 455849003 /nfs/dbraw/zinc/84/90/03/455849003.db2.gz ULQQCWXKPWCZRL-OXQOHEQNSA-N 1 0 332.488 3.301 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+]([C@@H](C)CO)C3CCCC3)cc2)CC1 ZINC000295793244 455859842 /nfs/dbraw/zinc/85/98/42/455859842.db2.gz RRZNSRQIBUQUSX-KRWDZBQOSA-N 1 0 346.515 3.427 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnn(C)c2)c(C(F)(F)F)c1 ZINC000279517652 455867068 /nfs/dbraw/zinc/86/70/68/455867068.db2.gz AXXOCKYAVOYOMZ-UHFFFAOYSA-N 1 0 326.366 3.137 20 10 EGCDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000279887886 455876614 /nfs/dbraw/zinc/87/66/14/455876614.db2.gz VASCWKXNVARQGL-LJQANCHMSA-N 1 0 329.488 3.025 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(C)cc1O ZINC000279949815 455877946 /nfs/dbraw/zinc/87/79/46/455877946.db2.gz BQIBNZAHNIOVLU-GOSISDBHSA-N 1 0 326.440 3.400 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000187194033 455879769 /nfs/dbraw/zinc/87/97/69/455879769.db2.gz GLXJMSIMINEQNZ-OAHLLOKOSA-N 1 0 346.471 3.215 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(C)cc1O ZINC000280121838 455897127 /nfs/dbraw/zinc/89/71/27/455897127.db2.gz OIDNQFOIECHKNH-GOSISDBHSA-N 1 0 341.455 3.173 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000286001766 455958461 /nfs/dbraw/zinc/95/84/61/455958461.db2.gz ISCFXTOEDSKADF-GFCCVEGCSA-N 1 0 343.402 3.073 20 10 EGCDRO OCc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000272496842 455970062 /nfs/dbraw/zinc/97/00/62/455970062.db2.gz NKVDZUMVWFOPJU-LJQANCHMSA-N 1 0 327.424 3.066 20 10 EGCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296553957 455972754 /nfs/dbraw/zinc/97/27/54/455972754.db2.gz TVPLHNFCLRSTPH-RHSMWYFYSA-N 1 0 345.464 3.140 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(Br)cc1O ZINC000188028436 455981912 /nfs/dbraw/zinc/98/19/12/455981912.db2.gz NMPRJMYYPSWRSQ-WDMOLILDSA-N 1 0 328.250 3.356 20 10 EGCDRO CCn1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000280773325 456049210 /nfs/dbraw/zinc/04/92/10/456049210.db2.gz FGLFODYWZZSBFS-UHFFFAOYSA-N 1 0 326.366 3.278 20 10 EGCDRO CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cccc(Cl)c1[O-] ZINC000286817480 456054913 /nfs/dbraw/zinc/05/49/13/456054913.db2.gz BYQRMEVTOSGNPC-HNNXBMFYSA-N 1 0 326.868 3.197 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccccc1O ZINC000272841865 456088123 /nfs/dbraw/zinc/08/81/23/456088123.db2.gz JQJRIBVADJKYQS-CQSZACIVSA-N 1 0 328.412 3.196 20 10 EGCDRO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000288150284 456088919 /nfs/dbraw/zinc/08/89/19/456088919.db2.gz NVJNQGQCJSSLAX-KXBFYZLASA-N 1 0 341.455 3.225 20 10 EGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc2c(cc1O)OCO2 ZINC000271026716 456102512 /nfs/dbraw/zinc/10/25/12/456102512.db2.gz FILPCJPYNBVOCV-UHFFFAOYSA-N 1 0 345.395 3.160 20 10 EGCDRO CC[N@H+](Cc1cccc(OC)c1O)Cc1ccc(OC)cc1OC ZINC000271078655 456119604 /nfs/dbraw/zinc/11/96/04/456119604.db2.gz IBODPXWSMRZOGB-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)c1O ZINC000289393722 456123129 /nfs/dbraw/zinc/12/31/29/456123129.db2.gz FIAHQRNRYBFSBK-ZDUSSCGKSA-N 1 0 329.396 3.240 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289587519 456132041 /nfs/dbraw/zinc/13/20/41/456132041.db2.gz BTPNPHNJTZYYTA-DCPHZVHLSA-N 1 0 327.424 3.218 20 10 EGCDRO COC[C@]1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])OCCc2ccccc21 ZINC000289703460 456137860 /nfs/dbraw/zinc/13/78/60/456137860.db2.gz IUEOATOFOVXDMQ-VLIAUNLRSA-N 1 0 345.414 3.297 20 10 EGCDRO COC[C@]1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])OCCc2ccccc21 ZINC000289703469 456138629 /nfs/dbraw/zinc/13/86/29/456138629.db2.gz IUEOATOFOVXDMQ-XOBRGWDASA-N 1 0 345.414 3.297 20 10 EGCDRO CC(=O)NCC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271152083 456144552 /nfs/dbraw/zinc/14/45/52/456144552.db2.gz UMHBNSVYBMOUQX-UHFFFAOYSA-N 1 0 329.488 3.025 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1OC ZINC000281225489 456170736 /nfs/dbraw/zinc/17/07/36/456170736.db2.gz KRMXZTQXKFELBO-QMCVQRASSA-N 1 0 349.471 3.171 20 10 EGCDRO COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C)cc2O)OCCc2ccccc21 ZINC000289982628 456205708 /nfs/dbraw/zinc/20/57/08/456205708.db2.gz XYUAIPVDMNPRAQ-HRAATJIYSA-N 1 0 341.451 3.466 20 10 EGCDRO Cc1nnc(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000290025433 456219033 /nfs/dbraw/zinc/21/90/33/456219033.db2.gz ZZWXWRSGJFNECF-UHFFFAOYSA-N 1 0 344.406 3.264 20 10 EGCDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2=O)cc1 ZINC000189085352 456221664 /nfs/dbraw/zinc/22/16/64/456221664.db2.gz CFXCXVZTUOLNKB-KBXCAEBGSA-N 1 0 342.414 3.291 20 10 EGCDRO Cc1nccn1CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273363786 456224910 /nfs/dbraw/zinc/22/49/10/456224910.db2.gz DPQGBLHVCSETTH-LLVKDONJSA-N 1 0 338.249 3.401 20 10 EGCDRO Cc1noc(CCC[NH2+][C@@H](C)c2ccc(Br)cc2O)n1 ZINC000273344748 456224111 /nfs/dbraw/zinc/22/41/11/456224111.db2.gz AKOKQAVLTWDFNK-VIFPVBQESA-N 1 0 340.221 3.130 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000273393966 456227498 /nfs/dbraw/zinc/22/74/98/456227498.db2.gz LMYJJOZQNZRCGR-INIZCTEOSA-N 1 0 326.440 3.388 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c(O)c1C ZINC000273507231 456236516 /nfs/dbraw/zinc/23/65/16/456236516.db2.gz REOBIKUOADHEAF-ZDUSSCGKSA-N 1 0 348.393 3.368 20 10 EGCDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273580528 456239525 /nfs/dbraw/zinc/23/95/25/456239525.db2.gz MNZLAXXMTXMLBL-OAHLLOKOSA-N 1 0 342.439 3.098 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237219764 456248034 /nfs/dbraw/zinc/24/80/34/456248034.db2.gz QHQJCKMNMOSKDD-HXUWFJFHSA-N 1 0 329.488 3.025 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(O)c(C)c3)c2)CC1 ZINC000274596873 456262086 /nfs/dbraw/zinc/26/20/86/456262086.db2.gz KGGJZVIBMGZWFC-UHFFFAOYSA-N 1 0 339.439 3.095 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1C ZINC000274839449 456266194 /nfs/dbraw/zinc/26/61/94/456266194.db2.gz WGWGTHPZINJDJG-UHFFFAOYSA-N 1 0 340.471 3.316 20 10 EGCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cnn(CCOC)c2)cc1 ZINC000282036532 456397247 /nfs/dbraw/zinc/39/72/47/456397247.db2.gz ONLJCZNLRCNLFE-UHFFFAOYSA-N 1 0 344.503 3.446 20 10 EGCDRO CC[C@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000298241135 456401053 /nfs/dbraw/zinc/40/10/53/456401053.db2.gz LVDBMMGJQIPKEM-LJQANCHMSA-N 1 0 343.471 3.215 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1nccs1 ZINC000282452333 456518770 /nfs/dbraw/zinc/51/87/70/456518770.db2.gz LWOBSXZHIZZPSW-CYBMUJFWSA-N 1 0 333.457 3.478 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3ccsc3)CC2)cc1 ZINC000305142326 456530567 /nfs/dbraw/zinc/53/05/67/456530567.db2.gz QPJRFXXRRVASOV-SFHVURJKSA-N 1 0 332.469 3.049 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCC(F)F)c1O ZINC000276618015 456532560 /nfs/dbraw/zinc/53/25/60/456532560.db2.gz HPNQZHHCNHRWKW-SECBINFHSA-N 1 0 338.192 3.395 20 10 EGCDRO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000282739259 456609477 /nfs/dbraw/zinc/60/94/77/456609477.db2.gz NARUPWYITAGFSM-ZDUSSCGKSA-N 1 0 328.460 3.468 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cc1 ZINC000292062071 456844532 /nfs/dbraw/zinc/84/45/32/456844532.db2.gz CAKVUADJGRKIBY-UHFFFAOYSA-N 1 0 341.430 3.155 20 10 EGCDRO Cc1nn2c(C[NH2+]Cc3c(C)c4ccccc4n3C)c(C)nc2s1 ZINC000355112777 457343264 /nfs/dbraw/zinc/34/32/64/457343264.db2.gz IPLDRUZDHMAFKC-UHFFFAOYSA-N 1 0 339.468 3.498 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cc2c(cc1O)CCCC2 ZINC000369901169 457452108 /nfs/dbraw/zinc/45/21/08/457452108.db2.gz FJZKMQPUUVLWLK-GZRFBZBPSA-N 1 0 331.456 3.260 20 10 EGCDRO 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EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1COc1ccccc1)OCO2 ZINC000112959693 1293137940 /nfs/dbraw/zinc/13/79/40/1293137940.db2.gz BZBCUDJNKYGUIK-HNNXBMFYSA-N 1 0 327.380 3.164 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000113314382 1293146601 /nfs/dbraw/zinc/14/66/01/1293146601.db2.gz FUAAJSFFYSKMOM-MRXNPFEDSA-N 1 0 346.858 3.036 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000834790471 1293149418 /nfs/dbraw/zinc/14/94/18/1293149418.db2.gz QDNDNEVCRXRDTM-ZDUSSCGKSA-N 1 0 337.466 3.024 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)CC2 ZINC000834793994 1293149841 /nfs/dbraw/zinc/14/98/41/1293149841.db2.gz LQMYYBGGPGSTQX-HOCLYGCPSA-N 1 0 348.240 3.465 20 10 EGCDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834832280 1293154656 /nfs/dbraw/zinc/15/46/56/1293154656.db2.gz NOSFRFCRIZVCQM-HUUCEWRRSA-N 1 0 340.895 3.236 20 10 EGCDRO CCN1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1=O ZINC000834892011 1293165213 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CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000186454305 1295328502 /nfs/dbraw/zinc/32/85/02/1295328502.db2.gz HSBVOAHHGSKTIX-CZUORRHYSA-N 1 0 332.444 3.152 20 10 EGCDRO Cc1cc(C(=O)CN2CC[C@H](O)[C@H](C)C2)c(C)n1-c1cccc(F)c1 ZINC000186879972 1295353432 /nfs/dbraw/zinc/35/34/32/1295353432.db2.gz YTALUSMAWMEVQP-YJYMSZOUSA-N 1 0 344.430 3.119 20 10 EGCDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000190046484 1295558139 /nfs/dbraw/zinc/55/81/39/1295558139.db2.gz PQWUNGCYRIPYHB-ZWKOTPCHSA-N 1 0 349.544 3.023 20 10 EGCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)NCC1CC1)Cc1ccccc1O ZINC000195527392 1296073832 /nfs/dbraw/zinc/07/38/32/1296073832.db2.gz IZPUFTBXYKJPMN-MRXNPFEDSA-N 1 0 338.451 3.482 20 10 EGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cc(Br)ccc1O ZINC000228846870 1296154644 /nfs/dbraw/zinc/15/46/44/1296154644.db2.gz YAAUWJJJQPRSML-FPMFFAJLSA-N 1 0 328.250 3.355 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000870965159 1296158683 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349.402 3.321 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000872134552 1296759583 /nfs/dbraw/zinc/75/95/83/1296759583.db2.gz CJWQJDHNCNHHJQ-SYTFOFBDSA-N 1 0 349.402 3.321 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCc3ccc(NC(C)=O)cc3C2)c1O ZINC000872811820 1297123339 /nfs/dbraw/zinc/12/33/39/1297123339.db2.gz SOAFJNHLDAKESA-UHFFFAOYSA-N 1 0 340.423 3.226 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000325311055 1297224251 /nfs/dbraw/zinc/22/42/51/1297224251.db2.gz XFMTYWWJFHVRPI-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4ncccc34)cc2)CC1 ZINC000873138949 1297294229 /nfs/dbraw/zinc/29/42/29/1297294229.db2.gz PHZSJOMDBDCGNA-UHFFFAOYSA-N 1 0 347.462 3.486 20 10 EGCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cc(OC)ccc1O ZINC000387634859 1297597777 /nfs/dbraw/zinc/59/77/77/1297597777.db2.gz GQMKYNDTFQMVRR-CYBMUJFWSA-N 1 0 338.448 3.136 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CSCCS1 ZINC000706843320 1298223625 /nfs/dbraw/zinc/22/36/25/1298223625.db2.gz RCIIJKYXNJCKGI-SECBINFHSA-N 1 0 334.304 3.093 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000715109435 1298277983 /nfs/dbraw/zinc/27/79/83/1298277983.db2.gz LOJOEAIMWIIEDG-BZPMIXESSA-N 1 0 338.423 3.485 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1O ZINC000716287201 1298298431 /nfs/dbraw/zinc/29/84/31/1298298431.db2.gz DHSZSECTDCDGOG-KRWDZBQOSA-N 1 0 346.858 3.418 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000875354113 1298307456 /nfs/dbraw/zinc/30/74/56/1298307456.db2.gz HFWZHZATRVUPJP-UHFFFAOYSA-N 1 0 345.487 3.297 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c(O)c1 ZINC000725845355 1298373413 /nfs/dbraw/zinc/37/34/13/1298373413.db2.gz ZHYYXJPTHJDGSR-UHFFFAOYSA-N 1 0 327.428 3.076 20 10 EGCDRO CC(C)C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000745946803 1298503803 /nfs/dbraw/zinc/50/38/03/1298503803.db2.gz KDNJETSQXNENHR-SFHVURJKSA-N 1 0 331.504 3.079 20 10 EGCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000746172102 1298548246 /nfs/dbraw/zinc/54/82/46/1298548246.db2.gz GDMVTGXBMUWUAJ-IRXDYDNUSA-N 1 0 329.488 3.166 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)cc2)CC1 ZINC000876774198 1298976950 /nfs/dbraw/zinc/97/69/50/1298976950.db2.gz OCUDVBFAUXQCDQ-OAQYLSRUSA-N 1 0 336.479 3.465 20 10 EGCDRO CCOC(=O)N1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000748293969 1298977566 /nfs/dbraw/zinc/97/75/66/1298977566.db2.gz HAMBAVXDXFWWOF-UHFFFAOYSA-N 1 0 334.460 3.488 20 10 EGCDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876932625 1299073754 /nfs/dbraw/zinc/07/37/54/1299073754.db2.gz RJLHRJBPBFWYFF-UWJYYQICSA-N 1 0 346.515 3.333 20 10 EGCDRO C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876932623 1299073958 /nfs/dbraw/zinc/07/39/58/1299073958.db2.gz RJLHRJBPBFWYFF-LAUBAEHRSA-N 1 0 346.515 3.333 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000876965667 1299092117 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Cc1ccc(C[NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)c(O)c1 ZINC000877087412 1299151847 /nfs/dbraw/zinc/15/18/47/1299151847.db2.gz LHGUTKVSRRFGLA-SFHVURJKSA-N 1 0 327.424 3.467 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000877085729 1299152042 /nfs/dbraw/zinc/15/20/42/1299152042.db2.gz QWSQDGFUDBXWJK-SFHVURJKSA-N 1 0 338.451 3.024 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)cc2)CC1 ZINC000877089095 1299153174 /nfs/dbraw/zinc/15/31/74/1299153174.db2.gz LMEVTCBLHYIWRP-ZRBLBEILSA-N 1 0 348.490 3.323 20 10 EGCDRO CC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)Cc2ccccc2C1 ZINC000877118676 1299164260 /nfs/dbraw/zinc/16/42/60/1299164260.db2.gz JPJPNHPXZFNVFP-UHFFFAOYSA-N 1 0 336.479 3.295 20 10 EGCDRO CSC(C)(C)CC[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000877146963 1299181598 /nfs/dbraw/zinc/18/15/98/1299181598.db2.gz YBWXAQGNNNOZLJ-MRXNPFEDSA-N 1 0 349.544 3.010 20 10 EGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168260 1299191062 /nfs/dbraw/zinc/19/10/62/1299191062.db2.gz QTPDYNKFVGLPJF-CABCVRRESA-N 1 0 334.460 3.436 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NCc3ccc(C)cc3O)c2)CC1 ZINC000877403589 1299281364 /nfs/dbraw/zinc/28/13/64/1299281364.db2.gz TUVSGWWEFVZASN-UHFFFAOYSA-N 1 0 325.456 3.455 20 10 EGCDRO Cc1ccc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000877433976 1299295783 /nfs/dbraw/zinc/29/57/83/1299295783.db2.gz LBEUEVCTYHGVMK-UHFFFAOYSA-N 1 0 332.444 3.357 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000877436720 1299297628 /nfs/dbraw/zinc/29/76/28/1299297628.db2.gz YAFSHGZDIXIXDL-UHFFFAOYSA-N 1 0 333.378 3.462 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCc3ccc(F)c(F)c3)cc2)CC1 ZINC000877464745 1299318603 /nfs/dbraw/zinc/31/86/03/1299318603.db2.gz LYGZZUNQUMNTLO-UHFFFAOYSA-N 1 0 346.421 3.258 20 10 EGCDRO COC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC(C)CC1 ZINC000877490828 1299341785 /nfs/dbraw/zinc/34/17/85/1299341785.db2.gz JPIFHFBYWPOXKE-UHFFFAOYSA-N 1 0 346.515 3.333 20 10 EGCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877492371 1299345447 /nfs/dbraw/zinc/34/54/47/1299345447.db2.gz XAYBFAZUHJXDCJ-FQEVSTJZSA-N 1 0 332.488 3.039 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000877505402 1299354997 /nfs/dbraw/zinc/35/49/97/1299354997.db2.gz SZIIQPYDGIDDTG-MRXNPFEDSA-N 1 0 325.412 3.097 20 10 EGCDRO COc1cc(OCC[NH+](C)C)ccc1NCc1c(C)cccc1O ZINC000877587727 1299414735 /nfs/dbraw/zinc/41/47/35/1299414735.db2.gz GTTSFXCECBCCIE-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(C)cccc3O)C2)cc1 ZINC000877597873 1299422666 /nfs/dbraw/zinc/42/26/66/1299422666.db2.gz BJKAPUZAYUNHHX-MRXNPFEDSA-N 1 0 326.440 3.325 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000877598898 1299424053 /nfs/dbraw/zinc/42/40/53/1299424053.db2.gz WLMPAZYYNOVLMI-CHWSQXEVSA-N 1 0 329.271 3.305 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC000877598902 1299424408 /nfs/dbraw/zinc/42/44/08/1299424408.db2.gz WLMPAZYYNOVLMI-OLZOCXBDSA-N 1 0 329.271 3.305 20 10 EGCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(OCc2ccccc2)cc1O ZINC000753539247 1299966726 /nfs/dbraw/zinc/96/67/26/1299966726.db2.gz ZDEFDOBPLRECMX-UHFFFAOYSA-N 1 0 343.423 3.356 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCc2ccc(F)c(F)c2F)cc1OC ZINC000753576819 1299979237 /nfs/dbraw/zinc/97/92/37/1299979237.db2.gz STQSUIZOJJFGSI-UHFFFAOYSA-N 1 0 341.329 3.159 20 10 EGCDRO CN(C)c1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000754058132 1300072608 /nfs/dbraw/zinc/07/26/08/1300072608.db2.gz LYQNOELVWDQZRU-GOSISDBHSA-N 1 0 341.455 3.034 20 10 EGCDRO Cc1cc(C(=O)CN(C)[C@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000754657541 1300184353 /nfs/dbraw/zinc/18/43/53/1300184353.db2.gz RQMAGCSJCUSARS-SFHVURJKSA-N 1 0 326.440 3.306 20 10 EGCDRO C[NH+](C)Cc1ccsc1C(=O)NCCCSc1nccs1 ZINC000756043570 1300430796 /nfs/dbraw/zinc/43/07/96/1300430796.db2.gz ZUJKFLONHYNBDU-UHFFFAOYSA-N 1 0 341.527 3.178 20 10 EGCDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)N1CCOCC1 ZINC000756371310 1300478435 /nfs/dbraw/zinc/47/84/35/1300478435.db2.gz YQDJLEGZJJIDMY-OXJNMPFZSA-N 1 0 346.515 3.278 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Br)ccc1O ZINC000756381523 1300480775 /nfs/dbraw/zinc/48/07/75/1300480775.db2.gz MMCCLZDBQNDUPL-MEBBXXQBSA-N 1 0 349.228 3.032 20 10 EGCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000756458743 1300497281 /nfs/dbraw/zinc/49/72/81/1300497281.db2.gz KNPHWOOQSCTZGD-ZDUSSCGKSA-N 1 0 332.444 3.152 20 10 EGCDRO COCCOCCCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756516144 1300512556 /nfs/dbraw/zinc/51/25/56/1300512556.db2.gz HPYVLIQIIFLTQG-LBPRGKRZSA-N 1 0 346.265 3.249 20 10 EGCDRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000756637060 1300539229 /nfs/dbraw/zinc/53/92/29/1300539229.db2.gz LOGCMUQPZCKLSV-AUUYWEPGSA-N 1 0 334.529 3.359 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756664820 1300543839 /nfs/dbraw/zinc/54/38/39/1300543839.db2.gz QQCCVBCGOBUEOB-HZMBPMFUSA-N 1 0 333.407 3.174 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)c(Br)cn1 ZINC000879649747 1300649476 /nfs/dbraw/zinc/64/94/76/1300649476.db2.gz FQCFXNOLSBRNJW-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648718 1300649863 /nfs/dbraw/zinc/64/98/63/1300649863.db2.gz ALYDUSRBECCYAA-ZIAGYGMSSA-N 1 0 328.412 3.469 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000757662174 1300705496 /nfs/dbraw/zinc/70/54/96/1300705496.db2.gz STRJJDRBENBADU-OAHLLOKOSA-N 1 0 337.467 3.279 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1C ZINC000758525615 1300903490 /nfs/dbraw/zinc/90/34/90/1300903490.db2.gz WQFNUVTXWZNERW-AZUAARDMSA-N 1 0 329.415 3.404 20 10 EGCDRO O=C1C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)CN1Cc1ccccc1 ZINC000758620777 1300923687 /nfs/dbraw/zinc/92/36/87/1300923687.db2.gz PNHWSSUOENMCHL-HNNXBMFYSA-N 1 0 344.842 3.184 20 10 EGCDRO COc1cccc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c1O ZINC000758621361 1300923886 /nfs/dbraw/zinc/92/38/86/1300923886.db2.gz VIBYAIDVLJPQOE-MRXNPFEDSA-N 1 0 339.395 3.166 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000759154342 1301028654 /nfs/dbraw/zinc/02/86/54/1301028654.db2.gz RATXOEXXPJFOGO-UHFFFAOYSA-N 1 0 335.492 3.454 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648471 1301721231 /nfs/dbraw/zinc/72/12/31/1301721231.db2.gz IZWKVLOXIFDFCC-SQWLQELKSA-N 1 0 336.451 3.170 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc2ccccc2c1O ZINC000763559548 1301923823 /nfs/dbraw/zinc/92/38/23/1301923823.db2.gz SZTDFWRZILUUOU-KUHUBIRLSA-N 1 0 329.440 3.374 20 10 EGCDRO C[C@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000764948881 1302173496 /nfs/dbraw/zinc/17/34/96/1302173496.db2.gz JEXPEPQUMLCBQH-QRVBRYPASA-N 1 0 345.531 3.152 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C ZINC000765128992 1302208408 /nfs/dbraw/zinc/20/84/08/1302208408.db2.gz ZBRWGTBAIYVZGR-RKVPGOIHSA-N 1 0 338.467 3.200 20 10 EGCDRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C2 ZINC000765708004 1302312120 /nfs/dbraw/zinc/31/21/20/1302312120.db2.gz SKPQCOKTXSIODA-PBHICJAKSA-N 1 0 326.440 3.416 20 10 EGCDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000765807916 1302332646 /nfs/dbraw/zinc/33/26/46/1302332646.db2.gz HALDLIBSVBNRHK-RTBURBONSA-N 1 0 332.488 3.205 20 10 EGCDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H]1C ZINC000765939866 1302354299 /nfs/dbraw/zinc/35/42/99/1302354299.db2.gz KPCYFDRHDOGITI-CVEARBPZSA-N 1 0 340.471 3.044 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000766005924 1302367484 /nfs/dbraw/zinc/36/74/84/1302367484.db2.gz SULRSFGFYIEMOE-BBWFWOEESA-N 1 0 331.504 3.362 20 10 EGCDRO Cc1nc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000883289289 1302368419 /nfs/dbraw/zinc/36/84/19/1302368419.db2.gz KAUMXLMKYAAKMW-CQSZACIVSA-N 1 0 330.501 3.054 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000766098024 1302388092 /nfs/dbraw/zinc/38/80/92/1302388092.db2.gz KKFYDPBSCFPHSN-CQSZACIVSA-N 1 0 330.403 3.219 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000766537366 1302471606 /nfs/dbraw/zinc/47/16/06/1302471606.db2.gz UUJGIKQLGPPWGB-FSPWUOQZSA-N 1 0 336.451 3.126 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1O ZINC000766920853 1302547503 /nfs/dbraw/zinc/54/75/03/1302547503.db2.gz SLMVRBCSTOXXPC-UHFFFAOYSA-N 1 0 344.386 3.241 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1F ZINC000768179573 1302847017 /nfs/dbraw/zinc/84/70/17/1302847017.db2.gz IRAZDFSZYUALAX-OAHLLOKOSA-N 1 0 330.403 3.164 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000768234467 1302860568 /nfs/dbraw/zinc/86/05/68/1302860568.db2.gz LOHLHJUEMACKFD-HXUWFJFHSA-N 1 0 327.424 3.346 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCc2cn3c(n2)SCC3)c2c1c(F)ccc2O ZINC000768284187 1302872344 /nfs/dbraw/zinc/87/23/44/1302872344.db2.gz BDRMKJHIXUYOJC-GXFFZTMASA-N 1 0 333.432 3.214 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000768346051 1302883695 /nfs/dbraw/zinc/88/36/95/1302883695.db2.gz YYANPWZNEPDUFY-UHFFFAOYSA-N 1 0 347.503 3.489 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](C1CC1)[C@@H]1CCc3ccccc31)[C@@H](O)CO2 ZINC000768444983 1302908125 /nfs/dbraw/zinc/90/81/25/1302908125.db2.gz ZVXPNTPMUDXGIP-QUCCMNQESA-N 1 0 337.419 3.470 20 10 EGCDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC000768452144 1302909873 /nfs/dbraw/zinc/90/98/73/1302909873.db2.gz PHCPQLKPCFXZJO-UHFFFAOYSA-N 1 0 343.423 3.366 20 10 EGCDRO CN(CC[N@H+](C)Cc1c(O)ccc2ccncc21)C(=O)OC(C)(C)C ZINC000768464898 1302913821 /nfs/dbraw/zinc/91/38/21/1302913821.db2.gz GDZUAPDCMQRMKV-UHFFFAOYSA-N 1 0 345.443 3.239 20 10 EGCDRO Cc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc[nH+]1 ZINC000768493821 1302918315 /nfs/dbraw/zinc/91/83/15/1302918315.db2.gz HPBGTGXWJYKSII-GJZGRUSLSA-N 1 0 329.419 3.177 20 10 EGCDRO COc1cccc(O)c1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402105 1303107607 /nfs/dbraw/zinc/10/76/07/1303107607.db2.gz AWOLFUKWFPOBAR-GOSISDBHSA-N 1 0 340.467 3.355 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c(O)c1 ZINC000769425683 1303111226 /nfs/dbraw/zinc/11/12/26/1303111226.db2.gz SEEFHSWNDKHBHQ-MRXNPFEDSA-N 1 0 341.455 3.065 20 10 EGCDRO CCOc1cccc(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c1O ZINC000769496127 1303126740 /nfs/dbraw/zinc/12/67/40/1303126740.db2.gz KKBVLKFBJXKKQT-SJORKVTESA-N 1 0 334.460 3.012 20 10 EGCDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000769685994 1303159078 /nfs/dbraw/zinc/15/90/78/1303159078.db2.gz GDELXHRGMMZCOV-KGLIPLIRSA-N 1 0 334.460 3.403 20 10 EGCDRO CCC1(O)CCC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000772465945 1303536666 /nfs/dbraw/zinc/53/66/66/1303536666.db2.gz HWCFMEYJGFKBJL-UHFFFAOYSA-N 1 0 332.488 3.337 20 10 EGCDRO C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000772600617 1303553008 /nfs/dbraw/zinc/55/30/08/1303553008.db2.gz POKMBRAMJZDHTO-GASCZTMLSA-N 1 0 333.432 3.194 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000886747029 1303582305 /nfs/dbraw/zinc/58/23/05/1303582305.db2.gz JDTBHXBAWQIFIX-INIZCTEOSA-N 1 0 337.467 3.239 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000772985276 1303601647 /nfs/dbraw/zinc/60/16/47/1303601647.db2.gz VRIOUMYVSOFNSA-STQMWFEESA-N 1 0 338.448 3.182 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[C@H]1CN(C)CCO1 ZINC000773075499 1303619339 /nfs/dbraw/zinc/61/93/39/1303619339.db2.gz XBJUPBJJOSKPGL-SQGPQFPESA-N 1 0 331.504 3.047 20 10 EGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000773328597 1303662615 /nfs/dbraw/zinc/66/26/15/1303662615.db2.gz UWRKSEBTIBNYTF-IBGZPJMESA-N 1 0 335.444 3.120 20 10 EGCDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000773370332 1303669884 /nfs/dbraw/zinc/66/98/84/1303669884.db2.gz LZTRAZRYQQXUKT-LSDHHAIUSA-N 1 0 334.508 3.089 20 10 EGCDRO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(N(C)C)cc1 ZINC000773611321 1303713820 /nfs/dbraw/zinc/71/38/20/1303713820.db2.gz HSGXEKUZLIKFDL-VQIMIIECSA-N 1 0 344.503 3.083 20 10 EGCDRO CCN(C)c1ccc(CN2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000773836104 1303743517 /nfs/dbraw/zinc/74/35/17/1303743517.db2.gz DKHYGUZAHWTVMQ-OALUTQOASA-N 1 0 333.545 3.154 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000774482419 1303814735 /nfs/dbraw/zinc/81/47/35/1303814735.db2.gz KIJRHLHKGYQAIK-CABCVRRESA-N 1 0 343.446 3.247 20 10 EGCDRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774486133 1303816428 /nfs/dbraw/zinc/81/64/28/1303816428.db2.gz WAUODIRBGJHGNA-HUUCEWRRSA-N 1 0 343.475 3.208 20 10 EGCDRO CC(C)[N@@H+](Cc1cc(F)ccc1O)C[C@H](O)COc1ccccc1 ZINC000775200627 1303923647 /nfs/dbraw/zinc/92/36/47/1303923647.db2.gz RFCFMKWITICTPD-KRWDZBQOSA-N 1 0 333.403 3.182 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(Cl)ccc1O ZINC000775509435 1303976374 /nfs/dbraw/zinc/97/63/74/1303976374.db2.gz SEFYHINFFCOOCZ-INIZCTEOSA-N 1 0 348.830 3.151 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1cc(Cl)ccc1O ZINC000775508702 1303976775 /nfs/dbraw/zinc/97/67/75/1303976775.db2.gz FOQAMOMKENTLTK-CZUORRHYSA-N 1 0 326.868 3.055 20 10 EGCDRO CC[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(Cl)ccc1O ZINC000775554581 1303983295 /nfs/dbraw/zinc/98/32/95/1303983295.db2.gz BMOOFILAJSJIFS-HZPDHXFCSA-N 1 0 327.852 3.264 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775834081 1304046498 /nfs/dbraw/zinc/04/64/98/1304046498.db2.gz JXEQDTWHAAFDAL-AWEZNQCLSA-N 1 0 345.874 3.373 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)CN2CCCCC2)c1O ZINC000775974835 1304072546 /nfs/dbraw/zinc/07/25/46/1304072546.db2.gz YKKYWZXHUHRJFO-CYBMUJFWSA-N 1 0 341.293 3.427 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)c1 ZINC000776221338 1304116421 /nfs/dbraw/zinc/11/64/21/1304116421.db2.gz VADBVZAOSBFYRJ-BTDLBPIBSA-N 1 0 339.794 3.405 20 10 EGCDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc(O)c1O ZINC000776631417 1304181173 /nfs/dbraw/zinc/18/11/73/1304181173.db2.gz IWSBDOQXMQPSAX-UHFFFAOYSA-N 1 0 340.423 3.379 20 10 EGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000778202600 1304417942 /nfs/dbraw/zinc/41/79/42/1304417942.db2.gz VWGMGEZIDNUOPZ-OAHLLOKOSA-N 1 0 334.460 3.350 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(O)CCCC2)c1O ZINC000779024475 1304519487 /nfs/dbraw/zinc/51/94/87/1304519487.db2.gz NFDMESBOEYTCTE-NSHDSACASA-N 1 0 328.250 3.419 20 10 EGCDRO OC[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Br)cc1 ZINC000779104029 1304528763 /nfs/dbraw/zinc/52/87/63/1304528763.db2.gz KUYIAOGWNLZGDQ-AWEZNQCLSA-N 1 0 340.192 3.117 20 10 EGCDRO COc1cc(Br)cc(C[NH+]2CCC(C)(OC)CC2)c1O ZINC000779598982 1304585571 /nfs/dbraw/zinc/58/55/71/1304585571.db2.gz OBGDILLQVNAXQK-UHFFFAOYSA-N 1 0 344.249 3.164 20 10 EGCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000779642175 1304590560 /nfs/dbraw/zinc/59/05/60/1304590560.db2.gz NNLCIRQEYVBQMA-HBFSDRIKSA-N 1 0 343.515 3.447 20 10 EGCDRO Cc1ccc(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c(O)c1O ZINC000780954861 1304755431 /nfs/dbraw/zinc/75/54/31/1304755431.db2.gz KMLXFXBDINDNLG-OAHLLOKOSA-N 1 0 342.439 3.047 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CO)c2ccc(F)cc2)c1O ZINC000782062081 1304910258 /nfs/dbraw/zinc/91/02/58/1304910258.db2.gz DVIBJXLDIAVUQA-MRXNPFEDSA-N 1 0 337.778 3.211 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)C23CCC(CC2)C3)[NH+](C)C)cc1 ZINC000891247183 1304999443 /nfs/dbraw/zinc/99/94/43/1304999443.db2.gz GSYPIVQFOPQMPX-VDUSKEEQSA-N 1 0 329.488 3.052 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccoc2C2CC2)[NH+](C)C)cc1 ZINC000891248839 1305000951 /nfs/dbraw/zinc/00/09/51/1305000951.db2.gz NMQJXOIFAZQYMZ-SFHVURJKSA-N 1 0 341.455 3.256 20 10 EGCDRO COc1ccc(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c(O)c1OC ZINC000891735767 1305151596 /nfs/dbraw/zinc/15/15/96/1305151596.db2.gz NXBWJBVVSFDYAA-ZOBUZTSGSA-N 1 0 348.487 3.247 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ZINC000894093662 1306214303 /nfs/dbraw/zinc/21/43/03/1306214303.db2.gz HBLHDKNMMRIGDW-HOTGVXAUSA-N 1 0 331.412 3.390 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCc2cnn(-c3ccccc3)c2)c1O ZINC000894167019 1306257171 /nfs/dbraw/zinc/25/71/71/1306257171.db2.gz OTJNWNZFTSASNR-UHFFFAOYSA-N 1 0 337.423 3.227 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCSC2)c1O ZINC000790485122 1306335582 /nfs/dbraw/zinc/33/55/82/1306335582.db2.gz JUMGLJMPUPDBJD-SECBINFHSA-N 1 0 332.263 3.006 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1O ZINC000894370194 1306363218 /nfs/dbraw/zinc/36/32/18/1306363218.db2.gz GXJXEZBSYAZYIX-HNNXBMFYSA-N 1 0 339.794 3.325 20 10 EGCDRO CCOCc1cc(C[NH2+]CCc2ccc3c[nH]nc3c2)ccc1OC ZINC000790618935 1306364567 /nfs/dbraw/zinc/36/45/67/1306364567.db2.gz LVJQMKPUFCZYGE-UHFFFAOYSA-N 1 0 339.439 3.440 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000894562712 1308954632 /nfs/dbraw/zinc/95/46/32/1308954632.db2.gz XKSOIDYYCJGXTF-YLJYHZDGSA-N 1 0 345.414 3.104 20 10 EGCDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(O)c1OC ZINC000894723702 1309038766 /nfs/dbraw/zinc/03/87/66/1309038766.db2.gz SGKVPYNSCGVRRK-CVEARBPZSA-N 1 0 347.455 3.191 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1F ZINC000792184753 1309138852 /nfs/dbraw/zinc/13/88/52/1309138852.db2.gz WKHMFGHMQMKRSI-UHFFFAOYSA-N 1 0 347.409 3.469 20 10 EGCDRO CCn1cc(C[N@H+](Cc2ccc(OC)c(OC)c2O)C(C)C)cn1 ZINC000895160000 1309216201 /nfs/dbraw/zinc/21/62/01/1309216201.db2.gz JXZKDIRIYUHXOV-UHFFFAOYSA-N 1 0 333.432 3.036 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCSc2nccs2)[C@@H]1C ZINC000792991723 1309278034 /nfs/dbraw/zinc/27/80/34/1309278034.db2.gz INJHQSMKNCMNOW-FRRDWIJNSA-N 1 0 328.503 3.193 20 10 EGCDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(OC)cc1O ZINC000793387623 1309362143 /nfs/dbraw/zinc/36/21/43/1309362143.db2.gz IOPYMWBYOPBLEJ-QGZVFWFLSA-N 1 0 333.403 3.277 20 10 EGCDRO CCc1cccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000895495550 1309369372 /nfs/dbraw/zinc/36/93/72/1309369372.db2.gz SISSHNLMGUXZPI-INIZCTEOSA-N 1 0 346.377 3.128 20 10 EGCDRO COc1cccc(C[NH2+]C[C@H]2CC(c3ccc(C)c(C)c3)=NO2)c1O ZINC000895497287 1309372391 /nfs/dbraw/zinc/37/23/91/1309372391.db2.gz GTUQIZOGYJPNNW-QGZVFWFLSA-N 1 0 340.423 3.300 20 10 EGCDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000793610023 1309415328 /nfs/dbraw/zinc/41/53/28/1309415328.db2.gz NYVRNTOXXFAMAG-YJBOKZPZSA-N 1 0 327.424 3.211 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1OC ZINC000895774287 1309513186 /nfs/dbraw/zinc/51/31/86/1309513186.db2.gz CUVWEXHBEOYFRG-SNVBAGLBSA-N 1 0 344.367 3.107 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000895845147 1309553637 /nfs/dbraw/zinc/55/36/37/1309553637.db2.gz NTYBWZNWFWPGCH-MRXNPFEDSA-N 1 0 330.394 3.280 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(Nc3ccccn3)CC2)c1O ZINC000896197410 1309739092 /nfs/dbraw/zinc/73/90/92/1309739092.db2.gz DVDPHVAKOUIXIG-UHFFFAOYSA-N 1 0 327.428 3.262 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1O ZINC000796113080 1309909894 /nfs/dbraw/zinc/90/98/94/1309909894.db2.gz GWRFRXVEUQFIEB-UHFFFAOYSA-N 1 0 346.358 3.317 20 10 EGCDRO OCC[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796312854 1309964206 /nfs/dbraw/zinc/96/42/06/1309964206.db2.gz OBMQGCRNEGMBKO-OAQYLSRUSA-N 1 0 336.479 3.500 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CSC[C@H]2C)c1O ZINC000796482522 1310012121 /nfs/dbraw/zinc/01/21/21/1310012121.db2.gz NEOFDMQUELBVMY-LDYMZIIASA-N 1 0 332.263 3.004 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCCC3CCOCC3)CC2)cc1 ZINC000799106487 1310486638 /nfs/dbraw/zinc/48/66/38/1310486638.db2.gz BDEZWLRYAJSJHG-UHFFFAOYSA-N 1 0 332.488 3.414 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3cccnc3)CC2)cc1 ZINC000897969124 1310532275 /nfs/dbraw/zinc/53/22/75/1310532275.db2.gz FJYFZNIBIRQBFW-INIZCTEOSA-N 1 0 325.456 3.280 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1O ZINC000799738184 1310608898 /nfs/dbraw/zinc/60/88/98/1310608898.db2.gz SZWYSXGQGIZUEJ-GWCFXTLKSA-N 1 0 344.249 3.163 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)CSC)c1O ZINC000898305638 1310669714 /nfs/dbraw/zinc/66/97/14/1310669714.db2.gz LYIZCGYAWWZBMM-UHFFFAOYSA-N 1 0 334.279 3.395 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(Cl)nc2)N(C)C)cc1 ZINC000898451694 1310741990 /nfs/dbraw/zinc/74/19/90/1310741990.db2.gz NXZSISSJBKJLJF-QGZVFWFLSA-N 1 0 332.879 3.194 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCCC23CCC3)[NH+](C)C)cc1 ZINC000899097472 1310932497 /nfs/dbraw/zinc/93/24/97/1310932497.db2.gz AYFZILZAACNDNT-GOSISDBHSA-N 1 0 344.503 3.083 20 10 EGCDRO CCCC[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC000801596796 1310970568 /nfs/dbraw/zinc/97/05/68/1310970568.db2.gz PGQLLVMWNHXGCK-CALCHBBNSA-N 1 0 332.488 3.499 20 10 EGCDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824615745 1320271067 /nfs/dbraw/zinc/27/10/67/1320271067.db2.gz LRVGBQGFWWSDEN-MRXNPFEDSA-N 1 0 328.412 3.208 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000827602402 1320462107 /nfs/dbraw/zinc/46/21/07/1320462107.db2.gz ONOAJROOQKKMIZ-OALUTQOASA-N 1 0 339.435 3.440 20 10 EGCDRO CCC[NH+]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000857308309 1328527634 /nfs/dbraw/zinc/52/76/34/1328527634.db2.gz MRIHEGMYZBNPHG-UHFFFAOYSA-N 1 0 325.456 3.262 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+](CC)C(C)C ZINC000802090532 1316978006 /nfs/dbraw/zinc/97/80/06/1316978006.db2.gz QQWPIRMXCQEGFO-UHFFFAOYSA-N 1 0 335.492 3.434 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C3CCC3)C2)cc1C ZINC001019027695 1317011233 /nfs/dbraw/zinc/01/12/33/1317011233.db2.gz VNWLWEFOKOONMM-QAPCUYQASA-N 1 0 330.472 3.130 20 10 EGCDRO CCc1oc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1C(=O)OC ZINC000802644502 1317019598 /nfs/dbraw/zinc/01/95/98/1317019598.db2.gz HWZHZCZPOABKHO-UHFFFAOYSA-N 1 0 342.439 3.301 20 10 EGCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c(C)o1 ZINC000858144563 1328694216 /nfs/dbraw/zinc/69/42/16/1328694216.db2.gz CZOBLIHUFKICSL-SFHVURJKSA-N 1 0 338.398 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/nfs/dbraw/zinc/61/37/43/1317613743.db2.gz ATKZPFJEROGWIE-PZJWPPBQSA-N 1 0 346.515 3.333 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)cc1C ZINC001020409182 1317684297 /nfs/dbraw/zinc/68/42/97/1317684297.db2.gz IMEZFDVPGFAGCS-VJANTYMQSA-N 1 0 342.483 3.177 20 10 EGCDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000903344883 1317689209 /nfs/dbraw/zinc/68/92/09/1317689209.db2.gz YMOLXFVEKZNOAK-NVXWUHKLSA-N 1 0 328.456 3.307 20 10 EGCDRO Cc1ncccc1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903414401 1317697645 /nfs/dbraw/zinc/69/76/45/1317697645.db2.gz AYMDWAPSXCUYDE-MRXNPFEDSA-N 1 0 343.446 3.259 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)N(C)C)cc1 ZINC000903447793 1317700741 /nfs/dbraw/zinc/70/07/41/1317700741.db2.gz CMLSJROXZLDDMH-WCIQWLHISA-N 1 0 345.531 3.149 20 10 EGCDRO Cc1csc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000903447774 1317700951 /nfs/dbraw/zinc/70/09/51/1317700951.db2.gz CIQOQJWHLVSISS-WMLDXEAASA-N 1 0 332.517 3.471 20 10 EGCDRO COc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000858241510 1328719164 /nfs/dbraw/zinc/71/91/64/1328719164.db2.gz WJHRYLZDACJADE-UHFFFAOYSA-N 1 0 325.456 3.368 20 10 EGCDRO CCOc1ccc(O)c(CN(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000809738228 1317884700 /nfs/dbraw/zinc/88/47/00/1317884700.db2.gz UKAMHHNFIKZONW-UHFFFAOYSA-N 1 0 346.446 3.494 20 10 EGCDRO CN(CC[NH+]1CCCC1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809737418 1317884998 /nfs/dbraw/zinc/88/49/98/1317884998.db2.gz HGCPKOQPCGLTBK-UHFFFAOYSA-N 1 0 346.475 3.113 20 10 EGCDRO COc1cccc(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)c1O ZINC000809740367 1317886593 /nfs/dbraw/zinc/88/65/93/1317886593.db2.gz WFCDRNREGVSHGA-UHFFFAOYSA-N 1 0 331.803 3.231 20 10 EGCDRO CN(C[C@H](O)C[N@H+](C)C1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000809986060 1317930683 /nfs/dbraw/zinc/93/06/83/1317930683.db2.gz XLFWLUDOYMOXFM-HXUWFJFHSA-N 1 0 340.467 3.157 20 10 EGCDRO CC[C@H]([NH2+]CCc1nncn1CC)c1ccc(C(F)(F)F)cc1O ZINC000810226535 1317980352 /nfs/dbraw/zinc/98/03/52/1317980352.db2.gz ZJFBZYJZHFRQIP-ZDUSSCGKSA-N 1 0 342.365 3.306 20 10 EGCDRO CC[C@H]([NH2+]CCc1cnccn1)c1ccc(C(F)(F)F)cc1O ZINC000810229852 1317981536 /nfs/dbraw/zinc/98/15/36/1317981536.db2.gz LVKMOKTYGPOEGI-AWEZNQCLSA-N 1 0 325.334 3.484 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)c1O ZINC000810241762 1317984485 /nfs/dbraw/zinc/98/44/85/1317984485.db2.gz DNAYLAWRYOSVDI-GFCCVEGCSA-N 1 0 332.831 3.233 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CCC=CCC3)C2)cc1C ZINC001021063734 1318064301 /nfs/dbraw/zinc/06/43/01/1318064301.db2.gz LPZQYCVKUMCAQG-WGSAOQKQSA-N 1 0 342.483 3.487 20 10 EGCDRO COc1ccc2[nH]cc(C3=CCN(c4cc[nH+]c(CO)c4)CC3)c2c1 ZINC000858353087 1328743323 /nfs/dbraw/zinc/74/33/23/1328743323.db2.gz IVZKULNFRFBMOS-UHFFFAOYSA-N 1 0 335.407 3.358 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1O ZINC000811513375 1318191532 /nfs/dbraw/zinc/19/15/32/1318191532.db2.gz UWRDPCHHQPNGTC-SFHVURJKSA-N 1 0 338.451 3.428 20 10 EGCDRO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000929970399 1328752796 /nfs/dbraw/zinc/75/27/96/1328752796.db2.gz JZXSYKCPSUHQRR-CTNGQTDRSA-N 1 0 341.451 3.415 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C)cc1C ZINC000960094983 1318350572 /nfs/dbraw/zinc/35/05/72/1318350572.db2.gz PTQFQKSKPKERDI-WBAXXEDZSA-N 1 0 330.472 3.130 20 10 EGCDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000812511870 1318404214 /nfs/dbraw/zinc/40/42/14/1318404214.db2.gz ORKXDCGWVZEGIP-INIZCTEOSA-N 1 0 346.519 3.155 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[N@H+](CC)CCC ZINC000812662981 1318437054 /nfs/dbraw/zinc/43/70/54/1318437054.db2.gz SFSJTKJWTZCVOX-MRXNPFEDSA-N 1 0 335.492 3.434 20 10 EGCDRO Cc1nn(C)c2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc12 ZINC000812773685 1318452242 /nfs/dbraw/zinc/45/22/42/1318452242.db2.gz MLQSFKHNYMJGFV-UHFFFAOYSA-N 1 0 349.482 3.246 20 10 EGCDRO CC[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000910285489 1318598204 /nfs/dbraw/zinc/59/82/04/1318598204.db2.gz AOIWPHZGIHMOBV-INIZCTEOSA-N 1 0 340.471 3.045 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC3CCCC3)C2)cc1C ZINC001021791046 1318686195 /nfs/dbraw/zinc/68/61/95/1318686195.db2.gz WSWZIEVNXVCYSK-HDICACEKSA-N 1 0 330.472 3.321 20 10 EGCDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000814178963 1318691797 /nfs/dbraw/zinc/69/17/97/1318691797.db2.gz KXRUJDDLTHQENM-MRXNPFEDSA-N 1 0 338.492 3.237 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@H](F)C3)C2)cc1C ZINC001022067471 1318787015 /nfs/dbraw/zinc/78/70/15/1318787015.db2.gz GAOMMVSTQTXJSO-XLAORIBOSA-N 1 0 348.462 3.269 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(N(C)C)cc1 ZINC000858534855 1328790510 /nfs/dbraw/zinc/79/05/10/1328790510.db2.gz JBBFVUVRRBNUSJ-XVSDVWIESA-N 1 0 327.428 3.034 20 10 EGCDRO Cc1cc(C[NH2+]C2CCN(C=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000858541787 1328791813 /nfs/dbraw/zinc/79/18/13/1328791813.db2.gz CVSBRHBCSWAUOC-UHFFFAOYSA-N 1 0 325.456 3.113 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000815019014 1318867661 /nfs/dbraw/zinc/86/76/61/1318867661.db2.gz GDFLUKLOFSDUQI-OAQYLSRUSA-N 1 0 342.458 3.460 20 10 EGCDRO Cc1cc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1N(C)C ZINC000815025700 1318870433 /nfs/dbraw/zinc/87/04/33/1318870433.db2.gz JHIBYXBQTILQSQ-NSHGMRRFSA-N 1 0 345.531 3.135 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC3(C)C)C2)cc1C ZINC001022569605 1318997037 /nfs/dbraw/zinc/99/70/37/1318997037.db2.gz GINWHISQWQQCQH-BBWFWOEESA-N 1 0 330.472 3.177 20 10 EGCDRO CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)OCCO1 ZINC000815600514 1319026392 /nfs/dbraw/zinc/02/63/92/1319026392.db2.gz WHCUBQLYWUVZRY-SFHVURJKSA-N 1 0 327.424 3.419 20 10 EGCDRO C[NH+](C)CCN(Cc1ccco1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816611522 1319192971 /nfs/dbraw/zinc/19/29/71/1319192971.db2.gz RNUBGJDGFVXEQM-UHFFFAOYSA-N 1 0 326.799 3.342 20 10 EGCDRO COc1ccc(OC)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000817405432 1319350254 /nfs/dbraw/zinc/35/02/54/1319350254.db2.gz DWHCXNJAMOQETH-UHFFFAOYSA-N 1 0 341.455 3.068 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(CC(N)=O)CC2)cc1 ZINC000817411617 1319350617 /nfs/dbraw/zinc/35/06/17/1319350617.db2.gz WDFGWWPQHYYZKV-UHFFFAOYSA-N 1 0 343.496 3.130 20 10 EGCDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000817413078 1319353134 /nfs/dbraw/zinc/35/31/34/1319353134.db2.gz SNSGJTGTNATZCC-JCNLHEQBSA-N 1 0 338.451 3.441 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)c1O ZINC000817413361 1319354048 /nfs/dbraw/zinc/35/40/48/1319354048.db2.gz XAMSIQSOCWKWRO-UKRRQHHQSA-N 1 0 335.444 3.343 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(C(N)=O)c2)cc1 ZINC000914851978 1319389208 /nfs/dbraw/zinc/38/92/08/1319389208.db2.gz WYXZZTGSXFCVCX-UHFFFAOYSA-N 1 0 325.456 3.264 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817888203 1319451137 /nfs/dbraw/zinc/45/11/37/1319451137.db2.gz JQRAYWYRIIPONB-VAMGGRTRSA-N 1 0 345.556 3.250 20 10 EGCDRO Cc1c([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942830 1319469840 /nfs/dbraw/zinc/46/98/40/1319469840.db2.gz RFQPTFLLROHOTK-AUUYWEPGSA-N 1 0 329.492 3.189 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000817941029 1319470115 /nfs/dbraw/zinc/47/01/15/1319470115.db2.gz IKEDHTBMIYJYJZ-CVEARBPZSA-N 1 0 349.400 3.447 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cncc(F)c3)C2)cc1 ZINC000818220680 1319521540 /nfs/dbraw/zinc/52/15/40/1319521540.db2.gz IVILZMGDOWRRFM-GJZGRUSLSA-N 1 0 329.419 3.406 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn(C(C)C)c3)C2)cc1 ZINC000818222802 1319522955 /nfs/dbraw/zinc/52/29/55/1319522955.db2.gz WCPZWPRBIFRIHH-INIZCTEOSA-N 1 0 328.460 3.089 20 10 EGCDRO Nc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000818636263 1319573412 /nfs/dbraw/zinc/57/34/12/1319573412.db2.gz LXILYURGJSGAAT-QFBILLFUSA-N 1 0 336.439 3.007 20 10 EGCDRO OC1(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCC1 ZINC000819120037 1319640635 /nfs/dbraw/zinc/64/06/35/1319640635.db2.gz IHPDUMIMZNBEEA-CQSZACIVSA-N 1 0 340.414 3.152 20 10 EGCDRO C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCCC[C@H]1C ZINC000916446961 1319653742 /nfs/dbraw/zinc/65/37/42/1319653742.db2.gz FJEBQNYJGKUTLV-IAGOWNOFSA-N 1 0 346.519 3.157 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000916705637 1319699079 /nfs/dbraw/zinc/69/90/79/1319699079.db2.gz QEGDYKRQCLNTLM-IBGZPJMESA-N 1 0 325.456 3.164 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000819373808 1319712828 /nfs/dbraw/zinc/71/28/28/1319712828.db2.gz CNZNGKDELAWXJL-YWZLYKJASA-N 1 0 330.447 3.454 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000819377150 1319713713 /nfs/dbraw/zinc/71/37/13/1319713713.db2.gz NJVQVBFARVOSPC-LAUBAEHRSA-N 1 0 326.484 3.185 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000917291990 1319782419 /nfs/dbraw/zinc/78/24/19/1319782419.db2.gz FSPYJLSDRMYTMO-ICSRJNTNSA-N 1 0 337.467 3.451 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1C(C)C ZINC000917463594 1319817296 /nfs/dbraw/zinc/81/72/96/1319817296.db2.gz XLRXYSYKZMHKCX-HNNXBMFYSA-N 1 0 339.501 3.081 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1C ZINC000822508025 1320090489 /nfs/dbraw/zinc/09/04/89/1320090489.db2.gz MQEGLFUGBMLSEA-RDJZCZTQSA-N 1 0 346.471 3.450 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000822697310 1320114766 /nfs/dbraw/zinc/11/47/66/1320114766.db2.gz BCBKXSNSLCZNIB-QGZVFWFLSA-N 1 0 347.503 3.434 20 10 EGCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@H](OC)c1ccccc1 ZINC000823575942 1320187818 /nfs/dbraw/zinc/18/78/18/1320187818.db2.gz FECNEVXNOSNASV-IBGZPJMESA-N 1 0 343.423 3.145 20 10 EGCDRO COCC1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000823729414 1320201809 /nfs/dbraw/zinc/20/18/09/1320201809.db2.gz GDOSGIWWQLTQTA-LRYGQEGESA-N 1 0 332.488 3.379 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000824847510 1320291881 /nfs/dbraw/zinc/29/18/81/1320291881.db2.gz ZXHWXXXJHAQRLC-NHCUHLMSSA-N 1 0 344.499 3.051 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1Cl ZINC000824926264 1320296616 /nfs/dbraw/zinc/29/66/16/1320296616.db2.gz DFOVXJXJAIVKNZ-SUMWQHHRSA-N 1 0 349.862 3.033 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000824955201 1320299309 /nfs/dbraw/zinc/29/93/09/1320299309.db2.gz UZTLODRNENCYPG-ZBQZNYHESA-N 1 0 328.412 3.367 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c1O ZINC000825016543 1320304431 /nfs/dbraw/zinc/30/44/31/1320304431.db2.gz DQTZIOQAMZHFMX-GXFFZTMASA-N 1 0 336.233 3.455 20 10 EGCDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825045172 1320305733 /nfs/dbraw/zinc/30/57/33/1320305733.db2.gz CCMVSGDADIESEO-GFCCVEGCSA-N 1 0 340.393 3.226 20 10 EGCDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825321402 1320327808 /nfs/dbraw/zinc/32/78/08/1320327808.db2.gz XGKHRHBXYZHSCI-UHFFFAOYSA-N 1 0 344.249 3.366 20 10 EGCDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc(Br)ccc2O)C1 ZINC000825331469 1320328625 /nfs/dbraw/zinc/32/86/25/1320328625.db2.gz HEYLKRFFQRBZQE-CQSZACIVSA-N 1 0 327.266 3.069 20 10 EGCDRO CCc1nocc1C[N@H+](C)Cc1ccc(Br)cc1O ZINC000826016875 1320377976 /nfs/dbraw/zinc/37/79/76/1320377976.db2.gz MTLCOGRYEFICQM-UHFFFAOYSA-N 1 0 325.206 3.337 20 10 EGCDRO C[NH+](C)CCCC(C)(C)NC(=O)NCCCSc1nccs1 ZINC000838513202 1320786561 /nfs/dbraw/zinc/78/65/61/1320786561.db2.gz GNHUAKKMVCYXOF-UHFFFAOYSA-N 1 0 344.550 3.045 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000838983553 1320847010 /nfs/dbraw/zinc/84/70/10/1320847010.db2.gz VZVPRUSFHPJLJF-KRWDZBQOSA-N 1 0 335.444 3.105 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Br)cn2)c1 ZINC000839538370 1320934412 /nfs/dbraw/zinc/93/44/12/1320934412.db2.gz BMXHEIBHVWQFAA-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO Cc1ccccc1C(C)(C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839609876 1320944828 /nfs/dbraw/zinc/94/48/28/1320944828.db2.gz SCESTDZKFMFZHJ-UHFFFAOYSA-N 1 0 339.483 3.202 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1Cl ZINC000840181962 1321044159 /nfs/dbraw/zinc/04/41/59/1321044159.db2.gz BKKDMHZBIKFODU-MRXNPFEDSA-N 1 0 349.814 3.112 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000840810672 1321153924 /nfs/dbraw/zinc/15/39/24/1321153924.db2.gz ROCYTKWZECTSLI-RDJZCZTQSA-N 1 0 329.440 3.444 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000840862609 1321164555 /nfs/dbraw/zinc/16/45/55/1321164555.db2.gz CJEIHIZXLWSKCS-SFHVURJKSA-N 1 0 346.496 3.397 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000840892938 1321171732 /nfs/dbraw/zinc/17/17/32/1321171732.db2.gz FHRCZDBPBYAGLY-CVEARBPZSA-N 1 0 326.488 3.486 20 10 EGCDRO CC(=O)Nc1ccc(CC[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840930994 1321179871 /nfs/dbraw/zinc/17/98/71/1321179871.db2.gz CFNSDPRCUIVPCC-UHFFFAOYSA-N 1 0 325.456 3.352 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000840945748 1321183016 /nfs/dbraw/zinc/18/30/16/1321183016.db2.gz ASNAWAYAXQNQGZ-HSZRJFAPSA-N 1 0 330.497 3.229 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c1O ZINC000840962871 1321188497 /nfs/dbraw/zinc/18/84/97/1321188497.db2.gz GWIVGCFIJHOXMN-WOPDTQHZSA-N 1 0 328.250 3.366 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)cc1C ZINC000840969452 1321189658 /nfs/dbraw/zinc/18/96/58/1321189658.db2.gz KANKILJBEQYDGQ-KRWDZBQOSA-N 1 0 328.387 3.038 20 10 EGCDRO COCCCn1nccc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975091 1321192184 /nfs/dbraw/zinc/19/21/84/1321192184.db2.gz CYMXAOHGXIXOGS-QGZVFWFLSA-N 1 0 344.503 3.015 20 10 EGCDRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841004249 1321198136 /nfs/dbraw/zinc/19/81/36/1321198136.db2.gz DDEMCMBJBBOTDW-KRWDZBQOSA-N 1 0 339.399 3.212 20 10 EGCDRO CCCC[C@@H](C[NH3+])NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841030254 1321203816 /nfs/dbraw/zinc/20/38/16/1321203816.db2.gz MIAHZRPCAFJGFM-INIZCTEOSA-N 1 0 334.464 3.192 20 10 EGCDRO COc1ccc(Br)cc1C[NH2+]CCc1ccc(N)cc1 ZINC000841035880 1321205813 /nfs/dbraw/zinc/20/58/13/1321205813.db2.gz JSXRMYPUSJKYRK-UHFFFAOYSA-N 1 0 335.245 3.372 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](CN)C3CCCCC3)CC2)cc1 ZINC000841039104 1321207138 /nfs/dbraw/zinc/20/71/38/1321207138.db2.gz ALFIQGICCLDSHG-FQEVSTJZSA-N 1 0 331.504 3.161 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccccc2Br)cc1 ZINC000841042388 1321207675 /nfs/dbraw/zinc/20/76/75/1321207675.db2.gz JEVOIGFZEVUESZ-QGZVFWFLSA-N 1 0 348.288 3.305 20 10 EGCDRO CC[NH2+]Cc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000841044340 1321208109 /nfs/dbraw/zinc/20/81/09/1321208109.db2.gz YRKAJLHNMXCAMC-UHFFFAOYSA-N 1 0 331.372 3.031 20 10 EGCDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(OCc2ccccc2)cc1O ZINC000841085519 1321215868 /nfs/dbraw/zinc/21/58/68/1321215868.db2.gz FXZHCRULGODIQU-IBGZPJMESA-N 1 0 326.440 3.201 20 10 EGCDRO CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841088172 1321216810 /nfs/dbraw/zinc/21/68/10/1321216810.db2.gz ZFZDUTBYVUFRRR-LJQANCHMSA-N 1 0 328.456 3.434 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299957 1321248968 /nfs/dbraw/zinc/24/89/68/1321248968.db2.gz KUASIKKOJNCEPE-JKSUJKDBSA-N 1 0 330.476 3.387 20 10 EGCDRO Nc1ccc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000841300670 1321249768 /nfs/dbraw/zinc/24/97/68/1321249768.db2.gz ZHWNNQCOPSZEOP-UHFFFAOYSA-N 1 0 330.476 3.437 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000841385335 1321267372 /nfs/dbraw/zinc/26/73/72/1321267372.db2.gz AZAVWACTMXHHKC-LJQANCHMSA-N 1 0 343.446 3.201 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)[C@@]12CCCO2 ZINC000841751533 1321306212 /nfs/dbraw/zinc/30/62/12/1321306212.db2.gz HRSFRTRXVKVYNR-UQCMEYCASA-N 1 0 325.836 3.423 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(Br)cc1O ZINC000841764780 1321308761 /nfs/dbraw/zinc/30/87/61/1321308761.db2.gz ILKAOWQKHIHWJP-KOLCDFICSA-N 1 0 349.219 3.145 20 10 EGCDRO CC1(C)C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000841864197 1321323901 /nfs/dbraw/zinc/32/39/01/1321323901.db2.gz HIFWVWKHHIEASH-KBPBESRZSA-N 1 0 340.414 3.414 20 10 EGCDRO CCn1nncc1C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841883660 1321325660 /nfs/dbraw/zinc/32/56/60/1321325660.db2.gz VOJQBCIHNWQEOF-CQSZACIVSA-N 1 0 347.894 3.478 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842006735 1321334693 /nfs/dbraw/zinc/33/46/93/1321334693.db2.gz VDFQKOHVWNDCQZ-GOSISDBHSA-N 1 0 346.519 3.205 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000842744981 1321427143 /nfs/dbraw/zinc/42/71/43/1321427143.db2.gz YNLAUOASBHOEHB-CQSZACIVSA-N 1 0 325.412 3.081 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125937 1321473848 /nfs/dbraw/zinc/47/38/48/1321473848.db2.gz DAAGTQYIECTSOP-QWHCGFSZSA-N 1 0 326.843 3.396 20 10 EGCDRO Cc1ccc(-c2noc(CN3CCCc4cc(C[NH3+])ccc43)n2)cc1 ZINC000843349671 1321503327 /nfs/dbraw/zinc/50/33/27/1321503327.db2.gz ICDCCMINDYMISY-UHFFFAOYSA-N 1 0 334.423 3.457 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843387832 1321509715 /nfs/dbraw/zinc/50/97/15/1321509715.db2.gz JBZUFSYKWKPSOK-UONOGXRCSA-N 1 0 336.863 3.070 20 10 EGCDRO C[C@@H](C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1)[C@H](C)[NH3+] ZINC000843487958 1321522465 /nfs/dbraw/zinc/52/24/65/1321522465.db2.gz MPTAYGBNRXLJBN-OWCLPIDISA-N 1 0 326.440 3.465 20 10 EGCDRO CCCC(C)(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000844379278 1321596549 /nfs/dbraw/zinc/59/65/49/1321596549.db2.gz OXBBLVICODRVPO-UHFFFAOYSA-N 1 0 349.494 3.410 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2F)c1 ZINC000845972568 1321759848 /nfs/dbraw/zinc/75/98/48/1321759848.db2.gz SBEICRWUCFSPDV-NSHDSACASA-N 1 0 335.375 3.408 20 10 EGCDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846142889 1321770594 /nfs/dbraw/zinc/77/05/94/1321770594.db2.gz WVZSFXMHFOIRKO-ZDUSSCGKSA-N 1 0 331.412 3.311 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c1O ZINC000846141217 1321770966 /nfs/dbraw/zinc/77/09/66/1321770966.db2.gz GCDGABIRRQOUNH-CYBMUJFWSA-N 1 0 340.423 3.144 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1O ZINC000846145664 1321771242 /nfs/dbraw/zinc/77/12/42/1321771242.db2.gz NZBNQTIGIZESKX-ZDUSSCGKSA-N 1 0 338.448 3.308 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000846144326 1321771533 /nfs/dbraw/zinc/77/15/33/1321771533.db2.gz KLMVQOZIXSVWLJ-DZGCQCFKSA-N 1 0 340.423 3.136 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2nc3cc(F)ccc3n2C)c1O ZINC000846152563 1321772231 /nfs/dbraw/zinc/77/22/31/1321772231.db2.gz AKFPGMDYGBDYNR-LLVKDONJSA-N 1 0 329.375 3.277 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCCc2ccc3c(c2)OCCO3)c1O ZINC000846155782 1321772829 /nfs/dbraw/zinc/77/28/29/1321772829.db2.gz YGVXNFMSNBIKMY-CQSZACIVSA-N 1 0 343.423 3.455 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1O ZINC000846171475 1321773743 /nfs/dbraw/zinc/77/37/43/1321773743.db2.gz SVUDRCXIXARVHY-ZIAGYGMSSA-N 1 0 330.403 3.469 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000846166369 1321773819 /nfs/dbraw/zinc/77/38/19/1321773819.db2.gz XQRYPZWIKKUPLZ-RHSMWYFYSA-N 1 0 346.471 3.375 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)o1 ZINC000846472754 1321787717 /nfs/dbraw/zinc/78/77/17/1321787717.db2.gz MJSRTYRFLOKJBK-UHFFFAOYSA-N 1 0 336.819 3.410 20 10 EGCDRO C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000846663251 1321799200 /nfs/dbraw/zinc/79/92/00/1321799200.db2.gz GKWVPDNVKWAYPC-ACJLOTCBSA-N 1 0 345.874 3.326 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccccc2C(C)(C)C)cc1 ZINC000846663222 1321799443 /nfs/dbraw/zinc/79/94/43/1321799443.db2.gz FNRKZLKEEYAUEY-IBGZPJMESA-N 1 0 339.483 3.480 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c1O ZINC000847074570 1321838620 /nfs/dbraw/zinc/83/86/20/1321838620.db2.gz KOLKIXQAIHHWPH-INIZCTEOSA-N 1 0 339.407 3.190 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847443848 1321871713 /nfs/dbraw/zinc/87/17/13/1321871713.db2.gz FGIOJYUIGIOIAP-QZTJIDSGSA-N 1 0 345.487 3.331 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(N2CCCCC2)cc1 ZINC000848562444 1321977368 /nfs/dbraw/zinc/97/73/68/1321977368.db2.gz DJQBJUNASMQVET-RDJZCZTQSA-N 1 0 339.487 3.014 20 10 EGCDRO COC(=O)/C=C/c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000848877841 1322027271 /nfs/dbraw/zinc/02/72/71/1322027271.db2.gz ULDCARADPVZNMO-VAWYXSNFSA-N 1 0 328.412 3.164 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccccc2N2CCOCC2)c1O ZINC000848894283 1322033241 /nfs/dbraw/zinc/03/32/41/1322033241.db2.gz ICDAJPXDKUJODC-UHFFFAOYSA-N 1 0 326.440 3.081 20 10 EGCDRO CCc1cccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1O ZINC000848904931 1322039671 /nfs/dbraw/zinc/03/96/71/1322039671.db2.gz DRWXVBLAMGNNRD-UHFFFAOYSA-N 1 0 330.394 3.319 20 10 EGCDRO CCc1cccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC000848903381 1322040019 /nfs/dbraw/zinc/04/00/19/1322040019.db2.gz QXNHOLFMRNQKCG-MRXNPFEDSA-N 1 0 331.378 3.480 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000848904877 1322040612 /nfs/dbraw/zinc/04/06/12/1322040612.db2.gz CLUAFBIWOHGGLE-AZUAARDMSA-N 1 0 329.415 3.350 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c(C)n1-c1ccccn1 ZINC000920459778 1322181206 /nfs/dbraw/zinc/18/12/06/1322181206.db2.gz XITZXLYNBGSKQP-MRXNPFEDSA-N 1 0 340.471 3.093 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1F ZINC000850354959 1322232168 /nfs/dbraw/zinc/23/21/68/1322232168.db2.gz DWIKXLHIZIWPDV-SYJLOODJSA-N 1 0 340.508 3.451 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(OC)c1 ZINC000850362970 1322234966 /nfs/dbraw/zinc/23/49/66/1322234966.db2.gz XFZIIGRJNVEYJF-SFHVURJKSA-N 1 0 332.419 3.378 20 10 EGCDRO c1cc(N2CCOCC2)ccc1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850382663 1322235833 /nfs/dbraw/zinc/23/58/33/1322235833.db2.gz UFYVYBYJQHBUJD-IBGZPJMESA-N 1 0 343.515 3.020 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CN3CCC(C)CC3)CC2)cc1 ZINC000850386457 1322236777 /nfs/dbraw/zinc/23/67/77/1322236777.db2.gz JJAZCMSZMNIHAB-SFHVURJKSA-N 1 0 345.531 3.374 20 10 EGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(Cl)cc1O ZINC000850531237 1322262013 /nfs/dbraw/zinc/26/20/13/1322262013.db2.gz IGBSSEDBYFKHBY-LBPRGKRZSA-N 1 0 345.892 3.444 20 10 EGCDRO CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(N(C)C)cc1 ZINC000850562714 1322267998 /nfs/dbraw/zinc/26/79/98/1322267998.db2.gz PGJKPIOZURLMHO-AZUAARDMSA-N 1 0 334.504 3.361 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Cl)ccc1O ZINC000850563342 1322269465 /nfs/dbraw/zinc/26/94/65/1322269465.db2.gz WHHMHLKLXJELOS-SJKOYZFVSA-N 1 0 327.852 3.264 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850567434 1322269531 /nfs/dbraw/zinc/26/95/31/1322269531.db2.gz BYJXHSPUZQOQHZ-OAQYLSRUSA-N 1 0 340.467 3.125 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccncc1 ZINC000850567438 1322269945 /nfs/dbraw/zinc/26/99/45/1322269945.db2.gz CBRCHQUXJGXVHS-FQEVSTJZSA-N 1 0 325.456 3.284 20 10 EGCDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921538312 1322344507 /nfs/dbraw/zinc/34/45/07/1322344507.db2.gz KAHTUPBYTBGHCX-UHFFFAOYSA-N 1 0 330.472 3.138 20 10 EGCDRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cn2)n1 ZINC000921547745 1322348103 /nfs/dbraw/zinc/34/81/03/1322348103.db2.gz NIQGHCOAXABNNV-UHFFFAOYSA-N 1 0 348.450 3.499 20 10 EGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000922430030 1322527735 /nfs/dbraw/zinc/52/77/35/1322527735.db2.gz QFAXUISOABVEHU-UHFFFAOYSA-N 1 0 333.741 3.359 20 10 EGCDRO C[NH+](C)C1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000923007295 1322672675 /nfs/dbraw/zinc/67/26/75/1322672675.db2.gz JLQGMGNIIHTAJD-UHFFFAOYSA-N 1 0 345.487 3.331 20 10 EGCDRO CO[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000851718413 1323072256 /nfs/dbraw/zinc/07/22/56/1323072256.db2.gz XCOIYMBGFGOJKQ-FQEVSTJZSA-N 1 0 332.488 3.160 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2nc(C(C)=O)c(C)[nH]2)cc1 ZINC000851716963 1323073397 /nfs/dbraw/zinc/07/33/97/1323073397.db2.gz RYQRPWJFPJGSBE-UHFFFAOYSA-N 1 0 342.487 3.441 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@H](C)CO)cc2)CC1 ZINC000852429270 1323190510 /nfs/dbraw/zinc/19/05/10/1323190510.db2.gz ZGFNZKYAMUSHSW-UTKZUKDTSA-N 1 0 346.515 3.285 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C=C(C)C)C[C@@H]23)cc1C ZINC001026184779 1324652029 /nfs/dbraw/zinc/65/20/29/1324652029.db2.gz LBOQZRSLWBOIGQ-GUDVDZBRSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3C=CCC3)C2)cc1C ZINC001026674198 1324967002 /nfs/dbraw/zinc/96/70/02/1324967002.db2.gz PXGOIGDJRGUULW-HKUYNNGSSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(F)CCCC3)C2)cc1C ZINC001026930821 1325088881 /nfs/dbraw/zinc/08/88/81/1325088881.db2.gz UTLIQUXONVREMH-KRWDZBQOSA-N 1 0 348.462 3.224 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1OC ZINC000853583564 1325130015 /nfs/dbraw/zinc/13/00/15/1325130015.db2.gz CBCBXKRKLZGVSP-QGZVFWFLSA-N 1 0 342.439 3.120 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cocc3C)C2)cc1C ZINC001026999941 1325138820 /nfs/dbraw/zinc/13/88/20/1325138820.db2.gz HAHBPEOTUQGWNF-QGZVFWFLSA-N 1 0 342.439 3.157 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(CF)CCC3)C2)cc1C ZINC001027072417 1325202286 /nfs/dbraw/zinc/20/22/86/1325202286.db2.gz HDXHDPMUAPWZFM-KRWDZBQOSA-N 1 0 348.462 3.082 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)CC2 ZINC000854223486 1325231605 /nfs/dbraw/zinc/23/16/05/1325231605.db2.gz GHPVTJADLQLLPP-FGTMMUONSA-N 1 0 326.415 3.254 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3c(C)noc3C)C2)cc1 ZINC000926609979 1327634652 /nfs/dbraw/zinc/63/46/52/1327634652.db2.gz BPNCRCOPMVSBTJ-CZUORRHYSA-N 1 0 329.444 3.477 20 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EGCDRO C[C@@]1(F)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1F ZINC001138338121 1377705258 /nfs/dbraw/zinc/70/52/58/1377705258.db2.gz KHRINGPVKGXEDX-QFBILLFUSA-N 1 0 336.426 3.363 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)[C@H](C)C1 ZINC001138341230 1377705615 /nfs/dbraw/zinc/70/56/15/1377705615.db2.gz KKQQXMGODDDXSF-PBHICJAKSA-N 1 0 330.472 3.090 20 10 EGCDRO Cc1ncccc1C[N@@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138343175 1377706437 /nfs/dbraw/zinc/70/64/37/1377706437.db2.gz ZCNKQLQZVRPJMW-UHFFFAOYSA-N 1 0 337.467 3.426 20 10 EGCDRO CN1CCCc2cc(C[N@@H+]3CCCC[C@H]3C(=O)N3CCCC3)ccc21 ZINC001138358467 1377709366 /nfs/dbraw/zinc/70/93/66/1377709366.db2.gz SNAKYGHGVNJBOB-FQEVSTJZSA-N 1 0 341.499 3.046 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CC)CCn2ccnc2)c(OC)c1 ZINC001138391518 1377714309 /nfs/dbraw/zinc/71/43/09/1377714309.db2.gz FHGFWCMKPJPZGS-UHFFFAOYSA-N 1 0 330.476 3.260 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC001138392136 1377714350 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CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001273285282 1378094551 /nfs/dbraw/zinc/09/45/51/1378094551.db2.gz PBJACZSEMBVALG-LIRRHRJNSA-N 1 0 334.435 3.287 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001140619535 1378099718 /nfs/dbraw/zinc/09/97/18/1378099718.db2.gz GUSBYQVBOPBIGQ-CVEARBPZSA-N 1 0 332.444 3.284 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001140660608 1378108136 /nfs/dbraw/zinc/10/81/36/1378108136.db2.gz XSABVMANRNGIQN-UHFFFAOYSA-N 1 0 328.378 3.284 20 10 EGCDRO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001273769072 1378110281 /nfs/dbraw/zinc/11/02/81/1378110281.db2.gz GPJJVTSZWKMNFJ-WBVHZDCISA-N 1 0 330.472 3.217 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC001140742156 1378128617 /nfs/dbraw/zinc/12/86/17/1378128617.db2.gz IVJHGLLFGFUZGD-GOSISDBHSA-N 1 0 326.440 3.113 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC)C2)c(O)c1 ZINC001140856035 1378159571 /nfs/dbraw/zinc/15/95/71/1378159571.db2.gz PNUZGHMGMVPWLU-HNNXBMFYSA-N 1 0 334.460 3.014 20 10 EGCDRO Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926502 1378183003 /nfs/dbraw/zinc/18/30/03/1378183003.db2.gz MPEPOULYESWJIO-MRXNPFEDSA-N 1 0 346.862 3.158 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c(Cl)c1 ZINC001140926846 1378183132 /nfs/dbraw/zinc/18/31/32/1378183132.db2.gz XIQYGNJNPOODQP-INIZCTEOSA-N 1 0 346.862 3.239 20 10 EGCDRO Cc1ccc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)c(O)c1 ZINC001140954346 1378191924 /nfs/dbraw/zinc/19/19/24/1378191924.db2.gz QTKPYPFZQYSGIA-UHFFFAOYSA-N 1 0 336.435 3.152 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001140954322 1378192096 /nfs/dbraw/zinc/19/20/96/1378192096.db2.gz QBKMGUGCHYNEKE-XIRDDKMYSA-N 1 0 346.471 3.436 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(c3ccncc3)CC2)c(OC)c1 ZINC001141028372 1378212705 /nfs/dbraw/zinc/21/27/05/1378212705.db2.gz MIUZAHACLNLHJB-UHFFFAOYSA-N 1 0 328.412 3.184 20 10 EGCDRO CCCC[NH+]1CCC(N(C)Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141033082 1378213784 /nfs/dbraw/zinc/21/37/84/1378213784.db2.gz YZQZMDHIUDOKSZ-UHFFFAOYSA-N 1 0 336.476 3.106 20 10 EGCDRO OCC[N@H+](Cc1cccs1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076610 1378232930 /nfs/dbraw/zinc/23/29/30/1378232930.db2.gz XAPSKHXEGMCZFY-UHFFFAOYSA-N 1 0 342.508 3.441 20 10 EGCDRO CC[N@H+](CCCC(=O)OC)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074877 1378233274 /nfs/dbraw/zinc/23/32/74/1378233274.db2.gz VVJMVWRGFHXKOT-UHFFFAOYSA-N 1 0 330.472 3.161 20 10 EGCDRO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141142842 1378248349 /nfs/dbraw/zinc/24/83/49/1378248349.db2.gz CNEOQLKWQPSABR-SFHVURJKSA-N 1 0 338.451 3.477 20 10 EGCDRO Oc1ccc(O)c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001141160962 1378255047 /nfs/dbraw/zinc/25/50/47/1378255047.db2.gz KZIMEUYPZWKPAG-UHFFFAOYSA-N 1 0 338.451 3.121 20 10 EGCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)C3C[NH+](C)C3)cc2)cc1 ZINC001142599273 1378463352 /nfs/dbraw/zinc/46/33/52/1378463352.db2.gz SAHHJIOCVYXPPE-SNAWJCMRSA-N 1 0 335.451 3.423 20 10 EGCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143111499 1378542092 /nfs/dbraw/zinc/54/20/92/1378542092.db2.gz CCOOJWREJFFQMD-IMJJTQAJSA-N 1 0 331.456 3.463 20 10 EGCDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143108930 1378542278 /nfs/dbraw/zinc/54/22/78/1378542278.db2.gz ZOESPOMHRUEZAD-OAHLLOKOSA-N 1 0 343.471 3.165 20 10 EGCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144306861 1378713947 /nfs/dbraw/zinc/71/39/47/1378713947.db2.gz UQBMWOMPRAPMDR-ZDUSSCGKSA-N 1 0 332.213 3.029 20 10 EGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)cc1OC ZINC001144509041 1378738801 /nfs/dbraw/zinc/73/88/01/1378738801.db2.gz IOUBOPAASHZPLX-OAHLLOKOSA-N 1 0 345.395 3.158 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCSC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001144514570 1378739601 /nfs/dbraw/zinc/73/96/01/1378739601.db2.gz KYGUKXLPVTZBQL-HNNXBMFYSA-N 1 0 335.400 3.233 20 10 EGCDRO CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146662085 1378892475 /nfs/dbraw/zinc/89/24/75/1378892475.db2.gz FHAGHILGLOZQHP-KGLIPLIRSA-N 1 0 347.463 3.382 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C(F)=C2CCCC2)cc1C ZINC001156540961 1380591069 /nfs/dbraw/zinc/59/10/69/1380591069.db2.gz JUVVIHIPGIVBFR-UHFFFAOYSA-N 1 0 334.435 3.397 20 10 EGCDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Cl ZINC001156656729 1380605574 /nfs/dbraw/zinc/60/55/74/1380605574.db2.gz ZSGGTCDVFCXVPH-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO COc1cc2c[nH+]c(NCc3ccc(O)c(O)c3)cc2cc1OC ZINC001158997387 1381503169 /nfs/dbraw/zinc/50/31/69/1381503169.db2.gz GBFSGSPGXLIXBF-UHFFFAOYSA-N 1 0 326.352 3.275 20 10 EGCDRO [NH3+][C@@H]1CCN(c2c(F)cccc2Nc2ccc3c(c2)CCCN3)C1 ZINC001160117463 1382001998 /nfs/dbraw/zinc/00/19/98/1382001998.db2.gz YEAGVNGNSTXVHL-CQSZACIVSA-N 1 0 326.419 3.465 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1C ZINC001161362092 1382383475 /nfs/dbraw/zinc/38/34/75/1382383475.db2.gz FSUAAGPUTTYLIH-KURKYZTESA-N 1 0 330.472 3.036 20 10 EGCDRO Oc1cc(Br)ccc1CN1CCOC[C@@H]1C1CCC1 ZINC001328762549 1388847052 /nfs/dbraw/zinc/84/70/52/1388847052.db2.gz NMGDQNDILYRCFX-CQSZACIVSA-N 1 0 326.234 3.156 20 10 EGCDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)c3cccnc3c1[O-])C2 ZINC001169099801 1384107290 /nfs/dbraw/zinc/10/72/90/1384107290.db2.gz VXMUYYKFJBUQHL-ZSOGYDGISA-N 1 0 331.847 3.309 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC23CCCC3)cc1C ZINC001170246547 1384275520 /nfs/dbraw/zinc/27/55/20/1384275520.db2.gz XAFNEBBDIVZNDG-QGZVFWFLSA-N 1 0 330.472 3.180 20 10 EGCDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1ccc(O)cc1O)CC2 ZINC001171287370 1384486099 /nfs/dbraw/zinc/48/60/99/1384486099.db2.gz FEKFUCXZVLPJPK-GFCCVEGCSA-N 1 0 333.815 3.407 20 10 EGCDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172862132 1384867468 /nfs/dbraw/zinc/86/74/68/1384867468.db2.gz XQBMJLIUCDOMCZ-JTQLQIEISA-N 1 0 337.778 3.294 20 10 EGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001329155995 1388994212 /nfs/dbraw/zinc/99/42/12/1388994212.db2.gz KQXVTXLEUXAZGO-CQSZACIVSA-N 1 0 338.398 3.361 20 10 EGCDRO C[C@@H]([NH2+]CCC1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC001319767353 1386287252 /nfs/dbraw/zinc/28/72/52/1386287252.db2.gz VYELFSKXADVPTG-OAHLLOKOSA-N 1 0 336.451 3.130 20 10 EGCDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180130140 1386706283 /nfs/dbraw/zinc/70/62/83/1386706283.db2.gz XQJRDFVYMWVYMB-PYUISTEWSA-N 1 0 329.488 3.002 20 10 EGCDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC001180130312 1386706290 /nfs/dbraw/zinc/70/62/90/1386706290.db2.gz HLXAQDISGOCKBJ-PGUYEUBTSA-N 1 0 329.488 3.001 20 10 EGCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001321076191 1386802360 /nfs/dbraw/zinc/80/23/60/1386802360.db2.gz KSIOATUBLMLIMB-UHFFFAOYSA-N 1 0 342.317 3.027 20 10 EGCDRO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C2=CCC[NH2+]CC2)cs1 ZINC001336690954 1389136699 /nfs/dbraw/zinc/13/66/99/1389136699.db2.gz BSZQPCNRWSKABR-UHFFFAOYSA-N 1 0 339.464 3.317 20 10 EGCDRO Cc1cc(CN2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)CC2)no1 ZINC001330236138 1389355350 /nfs/dbraw/zinc/35/53/50/1389355350.db2.gz CZHYPVJCSZQYHS-UHFFFAOYSA-N 1 0 349.862 3.358 20 10 EGCDRO CN(Cc1c[nH]nc1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC001337871126 1389465154 /nfs/dbraw/zinc/46/51/54/1389465154.db2.gz HMPRXPVAJMLLJL-UHFFFAOYSA-N 1 0 330.476 3.284 20 10 EGCDRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001338005201 1389513467 /nfs/dbraw/zinc/51/34/67/1389513467.db2.gz ORMVAKXKTVVDMD-GBXCKJPGSA-N 1 0 342.508 3.496 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1cccc(F)c1 ZINC001331272693 1389679909 /nfs/dbraw/zinc/67/99/09/1389679909.db2.gz UGOSTYNSRFZDST-ADLMAVQZSA-N 1 0 338.373 3.382 20 10 EGCDRO COc1ccc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c(O)c1OC ZINC001333705654 1390379447 /nfs/dbraw/zinc/37/94/47/1390379447.db2.gz KGAQAKQQLFIAJS-ZDUSSCGKSA-N 1 0 329.396 3.193 20 10 EGCDRO COc1ccc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c(O)c1OC ZINC001333705653 1390379651 /nfs/dbraw/zinc/37/96/51/1390379651.db2.gz KGAQAKQQLFIAJS-CYBMUJFWSA-N 1 0 329.396 3.193 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC001350317523 1391446338 /nfs/dbraw/zinc/44/63/38/1391446338.db2.gz XEJYQSZXMKPPGL-GFCCVEGCSA-N 1 0 329.400 3.051 20 10 EGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](F)c2ccccc2)cc1C ZINC001753235975 1440341659 /nfs/dbraw/zinc/34/16/59/1440341659.db2.gz OAMURLCOGGPRLQ-LJQANCHMSA-N 1 0 344.430 3.262 20 10 EGCDRO CC[C@H](CNC(=O)C1(CF)CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753485855 1440417656 /nfs/dbraw/zinc/41/76/56/1440417656.db2.gz DCSMMXZSXRQPIA-MRXNPFEDSA-N 1 0 336.451 3.128 20 10 EGCDRO CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001753787162 1440488374 /nfs/dbraw/zinc/48/83/74/1440488374.db2.gz BWNSVZJMTRSCDZ-INIZCTEOSA-N 1 0 345.447 3.232 20 10 EGCDRO CCOc1cccc(CN2CCc3nc(C(C)(C)C)ncc3C2)c1O ZINC000529642976 313377008 /nfs/dbraw/zinc/37/70/08/313377008.db2.gz PQZHQKQFEMQOPJ-UHFFFAOYSA-N 1 0 341.455 3.437 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(Br)o2)c1 ZINC000179681654 455066721 /nfs/dbraw/zinc/06/67/21/455066721.db2.gz YBLMCKLBXJWWHO-UHFFFAOYSA-N 1 0 326.190 3.388 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCOC1 ZINC000157717162 455224124 /nfs/dbraw/zinc/22/41/24/455224124.db2.gz PGAPCAONNOSYGP-KGLIPLIRSA-N 1 0 340.414 3.271 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(OCCC(C)C)CC2)cc1OC ZINC000159868495 455411581 /nfs/dbraw/zinc/41/15/81/455411581.db2.gz WMDZUQDPJKMEKY-UHFFFAOYSA-N 1 0 337.460 3.437 20 10 EGCDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000089728914 454184218 /nfs/dbraw/zinc/18/42/18/454184218.db2.gz HWUDIVYKDUPNHG-QFBILLFUSA-N 1 0 329.488 3.337 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000089730597 454185145 /nfs/dbraw/zinc/18/51/45/454185145.db2.gz MDARCYFMBYVWTK-HNNXBMFYSA-N 1 0 342.439 3.155 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000121774002 454475070 /nfs/dbraw/zinc/47/50/70/454475070.db2.gz JENXOWPRAOTYJH-CYBMUJFWSA-N 1 0 342.830 3.468 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cn1 ZINC000092740585 454622658 /nfs/dbraw/zinc/62/26/58/454622658.db2.gz LMTHDHKJWHDTME-OAHLLOKOSA-N 1 0 343.446 3.280 20 10 EGCDRO O=C1CCCN1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093087666 454680066 /nfs/dbraw/zinc/68/00/66/454680066.db2.gz NSQZJKAXKVCXOB-UHFFFAOYSA-N 1 0 341.499 3.264 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124187208 454704356 /nfs/dbraw/zinc/70/43/56/454704356.db2.gz CYNUTOHIWGDONA-MRXNPFEDSA-N 1 0 340.471 3.398 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000093335894 454704513 /nfs/dbraw/zinc/70/45/13/454704513.db2.gz OTBDGRMYIUNVSU-UHFFFAOYSA-N 1 0 340.452 3.028 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093504824 454719930 /nfs/dbraw/zinc/71/99/30/454719930.db2.gz XJZGNDBWEZLPJL-ABAIWWIYSA-N 1 0 326.234 3.156 20 10 EGCDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000109772528 454835174 /nfs/dbraw/zinc/83/51/74/454835174.db2.gz JFKLWPVLYKCSSI-UHFFFAOYSA-N 1 0 343.383 3.069 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1 ZINC000177943185 454921489 /nfs/dbraw/zinc/92/14/89/454921489.db2.gz BHIDODJTUNQGHU-HOTGVXAUSA-N 1 0 325.456 3.108 20 10 EGCDRO O=C1CCCN1c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113321744 454923122 /nfs/dbraw/zinc/92/31/22/454923122.db2.gz UEUVQNNGDGFIAR-UHFFFAOYSA-N 1 0 330.815 3.462 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1O ZINC000114509029 454959360 /nfs/dbraw/zinc/95/93/60/454959360.db2.gz JOYKBZMTXAYAPN-GOSISDBHSA-N 1 0 337.366 3.066 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccncc2)cc1 ZINC000155177775 454970897 /nfs/dbraw/zinc/97/08/97/454970897.db2.gz YRCUVCMJKMRINL-UHFFFAOYSA-N 1 0 335.455 3.180 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccccc1O ZINC000155705555 455034424 /nfs/dbraw/zinc/03/44/24/455034424.db2.gz CFTCXALYOWXTJY-SJKOYZFVSA-N 1 0 337.366 3.151 20 10 EGCDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000179706468 455068800 /nfs/dbraw/zinc/06/88/00/455068800.db2.gz SUYDZBAXJCEIST-FQEVSTJZSA-N 1 0 325.456 3.199 20 10 EGCDRO CCC[N@H+](CCn1cnc2ccccc2c1=O)Cc1ccccc1O ZINC000117338006 455083754 /nfs/dbraw/zinc/08/37/54/455083754.db2.gz GSMWMJGPEHGPIP-UHFFFAOYSA-N 1 0 337.423 3.014 20 10 EGCDRO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000179922546 455099657 /nfs/dbraw/zinc/09/96/57/455099657.db2.gz JQIBIONBORQPPF-UHFFFAOYSA-N 1 0 346.377 3.019 20 10 EGCDRO C[N@H+](CCC1CCOCC1)Cc1cc(Br)ccc1O ZINC000129612582 455118387 /nfs/dbraw/zinc/11/83/87/455118387.db2.gz SRPHHOSHAPAJAO-UHFFFAOYSA-N 1 0 328.250 3.403 20 10 EGCDRO COC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180198523 455147410 /nfs/dbraw/zinc/14/74/10/455147410.db2.gz FHPJCZAWNSGJKN-LBPRGKRZSA-N 1 0 328.250 3.322 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000157071638 455164021 /nfs/dbraw/zinc/16/40/21/455164021.db2.gz GGKZOVBSDYRJRX-HNNXBMFYSA-N 1 0 344.459 3.409 20 10 EGCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3O)C2)c1 ZINC000183543694 455304759 /nfs/dbraw/zinc/30/47/59/455304759.db2.gz OLHKMWYPYFGUCB-CABCVRRESA-N 1 0 342.439 3.339 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccn1 ZINC000158773874 455327418 /nfs/dbraw/zinc/32/74/18/455327418.db2.gz WINPIWLPQBMJRK-AWEZNQCLSA-N 1 0 329.419 3.033 20 10 EGCDRO Cc1ccc(NCc2ccccc2O)cc1NC(=O)CC[NH+](C)C ZINC000183776939 455327583 /nfs/dbraw/zinc/32/75/83/455327583.db2.gz WMCYZUHHPXPZDY-UHFFFAOYSA-N 1 0 327.428 3.203 20 10 EGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000181563499 455355703 /nfs/dbraw/zinc/35/57/03/455355703.db2.gz OUPIQIIECCYEQF-UXHICEINSA-N 1 0 346.515 3.189 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c(O)c1 ZINC000184979846 455480535 /nfs/dbraw/zinc/48/05/35/455480535.db2.gz FFHCRGXNWGLHFT-AWEZNQCLSA-N 1 0 328.412 3.249 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c(O)c1 ZINC000185033500 455489230 /nfs/dbraw/zinc/48/92/30/455489230.db2.gz LMZBYKROWQCWHM-CVEARBPZSA-N 1 0 341.455 3.172 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000185068743 455495974 /nfs/dbraw/zinc/49/59/74/455495974.db2.gz JJNUWVOBCRIUMI-MRXNPFEDSA-N 1 0 325.456 3.411 20 10 EGCDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(C)c(C)cc3O)C2=O)cc1 ZINC000191808548 455521828 /nfs/dbraw/zinc/52/18/28/455521828.db2.gz HAGITCFCEDHZCC-LJQANCHMSA-N 1 0 338.451 3.208 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c1 ZINC000185338079 455543666 /nfs/dbraw/zinc/54/36/66/455543666.db2.gz FAHJCFKCLUPSPY-CYBMUJFWSA-N 1 0 328.412 3.253 20 10 EGCDRO C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc2ccccc2c1O ZINC000185367056 455549427 /nfs/dbraw/zinc/54/94/27/455549427.db2.gz OIHXJXBHAJNYFY-KRWDZBQOSA-N 1 0 341.499 3.224 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000186022430 455677678 /nfs/dbraw/zinc/67/76/78/455677678.db2.gz VBCCCIVGYUQVAZ-XJKSGUPXSA-N 1 0 328.387 3.296 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000271541847 455678400 /nfs/dbraw/zinc/67/84/00/455678400.db2.gz YPMLCHXUTNWRBB-JXFKEZNVSA-N 1 0 337.467 3.204 20 10 EGCDRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000268442675 455684855 /nfs/dbraw/zinc/68/48/55/455684855.db2.gz SKJTWGMNQHDDAR-UHFFFAOYSA-N 1 0 347.286 3.024 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 ZINC000186081595 455689857 /nfs/dbraw/zinc/68/98/57/455689857.db2.gz HTQGJYYFPNTRHE-GLJUWKHASA-N 1 0 340.423 3.245 20 10 EGCDRO CC[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000268845441 455715919 /nfs/dbraw/zinc/71/59/19/455715919.db2.gz DSWKEHKRFDAUEF-HXUWFJFHSA-N 1 0 345.531 3.438 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccccc1O ZINC000271676966 455719856 /nfs/dbraw/zinc/71/98/56/455719856.db2.gz HQLIQVINLVYEAW-INIZCTEOSA-N 1 0 334.441 3.005 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000268900195 455723767 /nfs/dbraw/zinc/72/37/67/455723767.db2.gz LCKLBIWYFDQMJL-AOIWGVFYSA-N 1 0 331.504 3.440 20 10 EGCDRO C[C@@H]([NH2+]CC1CCSCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268903850 455724689 /nfs/dbraw/zinc/72/46/89/455724689.db2.gz RBVNHFUKTDEZGN-CQSZACIVSA-N 1 0 338.492 3.456 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268991655 455756760 /nfs/dbraw/zinc/75/67/60/455756760.db2.gz RLUSXMYWSNFWMF-KSSFIOAISA-N 1 0 338.492 3.335 20 10 EGCDRO CCNC(=O)[C@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293870590 455799119 /nfs/dbraw/zinc/79/91/19/455799119.db2.gz UXRDVQQDLLOCOZ-MAUKXSAKSA-N 1 0 326.440 3.180 20 10 EGCDRO C[C@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1O)C(=O)NCCF ZINC000294329472 455811514 /nfs/dbraw/zinc/81/15/14/455811514.db2.gz OWDVFXGNVQFKTB-MAUKXSAKSA-N 1 0 344.430 3.130 20 10 EGCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294735001 455825212 /nfs/dbraw/zinc/82/52/12/455825212.db2.gz GYVCRTWADZNQIE-OAHLLOKOSA-N 1 0 345.512 3.198 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000294806000 455828775 /nfs/dbraw/zinc/82/87/75/455828775.db2.gz COKPCJUSPFJQIW-WOJBJXKFSA-N 1 0 330.472 3.055 20 10 EGCDRO CNC(=O)CCC[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294854661 455829718 /nfs/dbraw/zinc/82/97/18/455829718.db2.gz PBRKPYILEMDVNS-UHFFFAOYSA-N 1 0 345.512 3.343 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000294877234 455831326 /nfs/dbraw/zinc/83/13/26/455831326.db2.gz VHLYADNLRZZLMH-UHFFFAOYSA-N 1 0 340.423 3.054 20 10 EGCDRO CC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccccc1O ZINC000295114603 455838541 /nfs/dbraw/zinc/83/85/41/455838541.db2.gz MCXFYLZUIYSBPH-ZBCRRDGASA-N 1 0 325.474 3.036 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000278830488 455850159 /nfs/dbraw/zinc/85/01/59/455850159.db2.gz OUZZQAUMFCSBNP-DOXZYTNZSA-N 1 0 336.451 3.007 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C[C@@H]3CCOC3)C3CC3)cc2)CC1 ZINC000295507668 455851678 /nfs/dbraw/zinc/85/16/78/455851678.db2.gz LFOCJDOERRBQFO-SFHVURJKSA-N 1 0 344.499 3.303 20 10 EGCDRO C=Cn1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000278902584 455852803 /nfs/dbraw/zinc/85/28/03/455852803.db2.gz RJOHRVKCPVCQEM-GJZGRUSLSA-N 1 0 344.434 3.026 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@H](CCO)c3ccco3)cc2)CC1 ZINC000295628938 455855351 /nfs/dbraw/zinc/85/53/51/455855351.db2.gz AZYWQXRWQBTDSD-LJQANCHMSA-N 1 0 344.455 3.108 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCn2cccn2)c1O ZINC000186973958 455858318 /nfs/dbraw/zinc/85/83/18/455858318.db2.gz NPLSVGYOAUPIKY-LBPRGKRZSA-N 1 0 338.249 3.401 20 10 EGCDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296088433 455868632 /nfs/dbraw/zinc/86/86/32/455868632.db2.gz PPLKKRCFSVUQLL-GOSISDBHSA-N 1 0 345.531 3.218 20 10 EGCDRO Oc1ccccc1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000187572384 455926345 /nfs/dbraw/zinc/92/63/45/455926345.db2.gz CZWUACQKCXLPFO-UHFFFAOYSA-N 1 0 326.318 3.061 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2cnn(C)c2)cc1 ZINC000296418269 455933128 /nfs/dbraw/zinc/93/31/28/455933128.db2.gz MJXOKIHEXGDZEB-UHFFFAOYSA-N 1 0 340.496 3.450 20 10 EGCDRO Cc1cccc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000280276117 455934009 /nfs/dbraw/zinc/93/40/09/455934009.db2.gz YECQMCKCAXWZFR-QGZVFWFLSA-N 1 0 325.456 3.120 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)cc1OC ZINC000272453276 455955207 /nfs/dbraw/zinc/95/52/07/455955207.db2.gz WNCMCMNLIHDTCG-BLVKFPJESA-N 1 0 349.402 3.414 20 10 EGCDRO CC[C@H](c1ccc(F)cc1[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296506386 455958512 /nfs/dbraw/zinc/95/85/12/455958512.db2.gz PICMKEHCJHUAEW-JJRVBVJISA-N 1 0 342.414 3.263 20 10 EGCDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000296576761 455978096 /nfs/dbraw/zinc/97/80/96/455978096.db2.gz VPXJDVPSWFBMJV-MSOLQXFVSA-N 1 0 336.435 3.079 20 10 EGCDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2ccccc2O)c1 ZINC000288371466 456093993 /nfs/dbraw/zinc/09/39/93/456093993.db2.gz FBICSFUEDGBGQK-UHFFFAOYSA-N 1 0 327.428 3.285 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000271038550 456107506 /nfs/dbraw/zinc/10/75/06/456107506.db2.gz LJUDTNSSCSISRS-UHFFFAOYSA-N 1 0 325.408 3.398 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)cc1F ZINC000271040559 456107752 /nfs/dbraw/zinc/10/77/52/456107752.db2.gz IJRNCQCTLIISAI-UHFFFAOYSA-N 1 0 349.494 3.409 20 10 EGCDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1O ZINC000289377952 456123676 /nfs/dbraw/zinc/12/36/76/456123676.db2.gz CAYJJYMUXPATBE-IBGZPJMESA-N 1 0 325.456 3.274 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)C[C@H]2OCCc3ccccc32)cc1OC ZINC000271106403 456127867 /nfs/dbraw/zinc/12/78/67/456127867.db2.gz RXCPBPVKYSRRQY-HXUWFJFHSA-N 1 0 343.423 3.155 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1O ZINC000289649638 456134628 /nfs/dbraw/zinc/13/46/28/456134628.db2.gz MSVZSIUWBOWAKD-QRVBRYPASA-N 1 0 339.435 3.405 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1O ZINC000289649632 456134808 /nfs/dbraw/zinc/13/48/08/456134808.db2.gz MSVZSIUWBOWAKD-GUDVDZBRSA-N 1 0 339.435 3.405 20 10 EGCDRO CCOC(=O)CN(Cc1ccc(N2CCC(OC)CC2)cc1)C(C)C ZINC000297263590 456165408 /nfs/dbraw/zinc/16/54/08/456165408.db2.gz WDUFNOBHFCNXMU-UHFFFAOYSA-N 1 0 348.487 3.075 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)CC1 ZINC000236676305 456166969 /nfs/dbraw/zinc/16/69/69/456166969.db2.gz XDEYAURBKOZACE-UHFFFAOYSA-N 1 0 337.467 3.312 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000271242123 456188208 /nfs/dbraw/zinc/18/82/08/456188208.db2.gz YXRFSEQLKOZRDV-HNNXBMFYSA-N 1 0 343.427 3.431 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273304888 456222883 /nfs/dbraw/zinc/22/28/83/456222883.db2.gz CJXMCWCIZMDBEZ-GFCCVEGCSA-N 1 0 336.819 3.317 20 10 EGCDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(Br)cc1O ZINC000273467832 456233211 /nfs/dbraw/zinc/23/32/11/456233211.db2.gz JFXKTDDGBOEMOQ-WRWORJQWSA-N 1 0 342.155 3.119 20 10 EGCDRO CN1CCCc2cc(C[NH2+]C3CCN(CC(F)(F)F)CC3)ccc21 ZINC000237129608 456237841 /nfs/dbraw/zinc/23/78/41/456237841.db2.gz ZPJCPGAFYBQIBU-UHFFFAOYSA-N 1 0 341.421 3.185 20 10 EGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273552534 456238040 /nfs/dbraw/zinc/23/80/40/456238040.db2.gz GDVPYBWJCSMLRL-LIRRHRJNSA-N 1 0 345.439 3.410 20 10 EGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274934272 456268053 /nfs/dbraw/zinc/26/80/53/456268053.db2.gz PAFMJULYJOZMNC-UHFFFAOYSA-N 1 0 346.862 3.353 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2cccn2)c1O ZINC000275332063 456273181 /nfs/dbraw/zinc/27/31/81/456273181.db2.gz NEMAHWNWCZPESL-NEPJUHHUSA-N 1 0 338.249 3.399 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000290523213 456353258 /nfs/dbraw/zinc/35/32/58/456353258.db2.gz QDFOODQWQNSXJN-INIZCTEOSA-N 1 0 337.423 3.415 20 10 EGCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000303118609 456446294 /nfs/dbraw/zinc/44/62/94/456446294.db2.gz XPNQBEOEBWJCPV-HXUWFJFHSA-N 1 0 344.430 3.080 20 10 EGCDRO CC[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)ccc1O ZINC000282328079 456478674 /nfs/dbraw/zinc/47/86/74/456478674.db2.gz NYIZBNSBLWUQOX-BLVKFPJESA-N 1 0 346.290 3.107 20 10 EGCDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000276786761 456579596 /nfs/dbraw/zinc/57/95/96/456579596.db2.gz KKUPMAPFPHHYPB-LJQANCHMSA-N 1 0 336.435 3.256 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(C(F)(F)F)c1 ZINC000291353376 456615506 /nfs/dbraw/zinc/61/55/06/456615506.db2.gz XMWZLWHAJIKXGP-OAHLLOKOSA-N 1 0 338.377 3.415 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2c1O ZINC000325761997 456686732 /nfs/dbraw/zinc/68/67/32/456686732.db2.gz BFBXSRBYXNVDJW-USXIJHARSA-N 1 0 326.440 3.059 20 10 EGCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000348707177 456822961 /nfs/dbraw/zinc/82/29/61/456822961.db2.gz QUWBJMSVTLXGBL-MRXNPFEDSA-N 1 0 342.487 3.018 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1O ZINC000370207582 457585966 /nfs/dbraw/zinc/58/59/66/457585966.db2.gz VYMLFXKFDVQGOP-ZDUSSCGKSA-N 1 0 347.846 3.361 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1F ZINC000367710142 457974808 /nfs/dbraw/zinc/97/48/08/457974808.db2.gz YMBOXWXPWQESOR-INIZCTEOSA-N 1 0 330.451 3.395 20 10 EGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ncc[nH]1 ZINC000367754359 457979329 /nfs/dbraw/zinc/97/93/29/457979329.db2.gz MSFVYXHROKZINN-LBPRGKRZSA-N 1 0 336.386 3.331 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458754447 458159226 /nfs/dbraw/zinc/15/92/26/458159226.db2.gz VYFLGMXIRZNPHA-UHFFFAOYSA-N 1 0 344.503 3.406 20 10 EGCDRO OC[C@H]1C=C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000377396885 458499746 /nfs/dbraw/zinc/49/97/46/458499746.db2.gz DMQPPRDTTABZQO-PZJWPPBQSA-N 1 0 334.463 3.276 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000472218433 458773888 /nfs/dbraw/zinc/77/38/88/458773888.db2.gz CGBMOIUFQARZJL-UHFFFAOYSA-N 1 0 342.487 3.159 20 10 EGCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2c(C)c3ccccc3n2C)C[C@@H]1C ZINC000472222355 458775422 /nfs/dbraw/zinc/77/54/22/458775422.db2.gz HWJGDGSIEDFYLG-LSDHHAIUSA-N 1 0 342.487 3.111 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571533852 459569375 /nfs/dbraw/zinc/56/93/75/459569375.db2.gz YRRXTNCYIDPNOI-UHFFFAOYSA-N 1 0 348.450 3.454 20 10 EGCDRO C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000727468932 574669977 /nfs/dbraw/zinc/66/99/77/574669977.db2.gz PNJZGKYORGCCMO-OAHLLOKOSA-N 1 0 336.439 3.250 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000729685948 574879248 /nfs/dbraw/zinc/87/92/48/574879248.db2.gz OTTJFNLXPAQCCT-OAHLLOKOSA-N 1 0 346.475 3.157 20 10 EGCDRO C[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccccc1O ZINC000731843802 575211845 /nfs/dbraw/zinc/21/18/45/575211845.db2.gz XDTFBRYDEZTMMU-UHFFFAOYSA-N 1 0 346.228 3.434 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000732214935 575246066 /nfs/dbraw/zinc/24/60/66/575246066.db2.gz WGFHEXIBUSBCNG-UHFFFAOYSA-N 1 0 343.515 3.415 20 10 EGCDRO CC(C)[C@@H]1CC(=O)N(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000733293399 575325408 /nfs/dbraw/zinc/32/54/08/575325408.db2.gz NDUWKBCEXGUSES-GOSISDBHSA-N 1 0 331.504 3.425 20 10 EGCDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735324634 575644006 /nfs/dbraw/zinc/64/40/06/575644006.db2.gz XAUJVGLUVHMGHN-MRXNPFEDSA-N 1 0 349.475 3.472 20 10 EGCDRO c1ccc2c(c1)SC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000735508923 575672258 /nfs/dbraw/zinc/67/22/58/575672258.db2.gz QSGGCPBCTUIDDH-GOSISDBHSA-N 1 0 326.465 3.460 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000736348689 575941173 /nfs/dbraw/zinc/94/11/73/575941173.db2.gz UJRWXPNWAJQCGG-QFBILLFUSA-N 1 0 337.467 3.239 20 10 EGCDRO CCc1cc(CN2CC[NH+](CC(C)(C)O)CC2)c(O)c(C(C)(C)C)c1 ZINC000740758810 576623873 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341.455 3.363 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(N(C)C)cc1 ZINC000834911779 1293174038 /nfs/dbraw/zinc/17/40/38/1293174038.db2.gz KCSGNHIMIOIFOY-YXJHDRRASA-N 1 0 328.460 3.057 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(=O)NCCc1ccccc1 ZINC000834913484 1293175038 /nfs/dbraw/zinc/17/50/38/1293175038.db2.gz HLQMVIVSJLFPAX-ZIAGYGMSSA-N 1 0 346.858 3.444 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(N2CCCCC2)cc1 ZINC000834916379 1293175940 /nfs/dbraw/zinc/17/59/40/1293175940.db2.gz WWJNRSGKURTDSB-FFZOFVMBSA-N 1 0 341.499 3.481 20 10 EGCDRO COc1cc(Br)cc(CN2C[C@H](C)OC(C)(C)C2)c1O ZINC000119502598 1293274157 /nfs/dbraw/zinc/27/41/57/1293274157.db2.gz KFELEBSIGPBKLX-JTQLQIEISA-N 1 0 344.249 3.163 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)cc1 ZINC000129204970 1293617422 /nfs/dbraw/zinc/61/74/22/1293617422.db2.gz CADVNDHKUBOEAI-KRWDZBQOSA-N 1 0 339.483 3.500 20 10 EGCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Br)ccc1O ZINC000130345803 1293653453 /nfs/dbraw/zinc/65/34/53/1293653453.db2.gz SKZUKFNVNLOGJS-IINYFYTJSA-N 1 0 340.217 3.350 20 10 EGCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000151026929 1293903865 /nfs/dbraw/zinc/90/38/65/1293903865.db2.gz MJWLGNLIVDOCAS-UHFFFAOYSA-N 1 0 344.430 3.269 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)cc1F ZINC000152222141 1293959574 /nfs/dbraw/zinc/95/95/74/1293959574.db2.gz HTDSWLCQGBEPRG-AWEZNQCLSA-N 1 0 347.434 3.059 20 10 EGCDRO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1O ZINC000154872774 1294073604 /nfs/dbraw/zinc/07/36/04/1294073604.db2.gz LXRWZOMEGDUIME-GOSISDBHSA-N 1 0 332.488 3.468 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000155342356 1294093481 /nfs/dbraw/zinc/09/34/81/1294093481.db2.gz RRBGQHGVYASWCY-SFHVURJKSA-N 1 0 345.531 3.438 20 10 EGCDRO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000155614554 1294107014 /nfs/dbraw/zinc/10/70/14/1294107014.db2.gz YJFGBQYOFCLUNX-INIZCTEOSA-N 1 0 348.487 3.296 20 10 EGCDRO Cc1cc(Br)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000158031507 1294193893 /nfs/dbraw/zinc/19/38/93/1294193893.db2.gz AGSKZGBINRPKTP-OAHLLOKOSA-N 1 0 339.277 3.133 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)cc1OC ZINC000160373934 1294267033 /nfs/dbraw/zinc/26/70/33/1294267033.db2.gz KRPOULNCIDVOLS-AWEZNQCLSA-N 1 0 342.439 3.250 20 10 EGCDRO COc1cc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c(O)cc1C ZINC000160565415 1294271319 /nfs/dbraw/zinc/27/13/19/1294271319.db2.gz CKGVOXGZRJBGNS-UHFFFAOYSA-N 1 0 338.448 3.008 20 10 EGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000163002470 1294326573 /nfs/dbraw/zinc/32/65/73/1294326573.db2.gz NSMZAQJRWFZJPW-MRXNPFEDSA-N 1 0 348.805 3.422 20 10 EGCDRO COCCOC[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173397939 1294460774 /nfs/dbraw/zinc/46/07/74/1294460774.db2.gz BVYNJDWPXNZXFT-HNNXBMFYSA-N 1 0 345.439 3.039 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174656666 1294514368 /nfs/dbraw/zinc/51/43/68/1294514368.db2.gz UJXCNGMPIHQGQA-QUCCMNQESA-N 1 0 337.467 3.403 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000179450770 1294796372 /nfs/dbraw/zinc/79/63/72/1294796372.db2.gz OURLJAXHTRMOJO-OAHLLOKOSA-N 1 0 334.460 3.389 20 10 EGCDRO COc1cccc([C@H](C)N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179569975 1294804949 /nfs/dbraw/zinc/80/49/49/1294804949.db2.gz KQPWONSMKOYAGW-INIZCTEOSA-N 1 0 326.440 3.280 20 10 EGCDRO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O)c1ccccc1 ZINC000180027499 1294854548 /nfs/dbraw/zinc/85/45/48/1294854548.db2.gz KMVHDUQLMFPKCU-SFHVURJKSA-N 1 0 342.414 3.316 20 10 EGCDRO COc1ccc(C[N@H+](Cc2ccccc2O)[C@H](CO)C(C)C)cc1 ZINC000181155042 1294943896 /nfs/dbraw/zinc/94/38/96/1294943896.db2.gz OWFGMNIGCBBSME-LJQANCHMSA-N 1 0 329.440 3.420 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c(O)c1 ZINC000185263558 1295250833 /nfs/dbraw/zinc/25/08/33/1295250833.db2.gz IRHSJQICTWBUAV-AWEZNQCLSA-N 1 0 333.453 3.096 20 10 EGCDRO C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(F)ccc1O ZINC000186401604 1295323347 /nfs/dbraw/zinc/32/33/47/1295323347.db2.gz LRVKMJSHLGUXCB-AWEZNQCLSA-N 1 0 329.419 3.456 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000189487877 1295526125 /nfs/dbraw/zinc/52/61/25/1295526125.db2.gz FETUFNULCUNTEQ-UHFFFAOYSA-N 1 0 345.487 3.409 20 10 EGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000195196752 1296046275 /nfs/dbraw/zinc/04/62/75/1296046275.db2.gz UYNFGEUINSIFTD-LJQANCHMSA-N 1 0 335.444 3.202 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cc(Br)ccc1O ZINC000228846845 1296155069 /nfs/dbraw/zinc/15/50/69/1296155069.db2.gz YAAUWJJJQPRSML-IACUBPJLSA-N 1 0 328.250 3.355 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1O ZINC000246352018 1296349151 /nfs/dbraw/zinc/34/91/51/1296349151.db2.gz WXACJVDAFBJHBY-SFHVURJKSA-N 1 0 326.440 3.280 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000246838530 1296372564 /nfs/dbraw/zinc/37/25/64/1296372564.db2.gz KJAOYSNDUKCBRU-ZBFHGGJFSA-N 1 0 337.485 3.102 20 10 EGCDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000261796337 1296602669 /nfs/dbraw/zinc/60/26/69/1296602669.db2.gz LKLQPEWVZAJWEB-SWLSCSKDSA-N 1 0 329.419 3.043 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)CC(C)(C)C[NH3+])c2C)cc1 ZINC000262571384 1296641181 /nfs/dbraw/zinc/64/11/81/1296641181.db2.gz AWFUHWUCVZVODZ-UHFFFAOYSA-N 1 0 343.471 3.160 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC000320961052 1297174105 /nfs/dbraw/zinc/17/41/05/1297174105.db2.gz VZLXEZCACCGSPF-INIZCTEOSA-N 1 0 336.863 3.308 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2cccc(C(=O)NC)c2)cc1C ZINC000873009151 1297219646 /nfs/dbraw/zinc/21/96/46/1297219646.db2.gz UNADKHCQWQYHJM-UHFFFAOYSA-N 1 0 326.440 3.433 20 10 EGCDRO COc1ccc(C[NH2+]Cc2sc(C)nc2C)cc1Cn1cccn1 ZINC000873060697 1297253838 /nfs/dbraw/zinc/25/38/38/1297253838.db2.gz AAJMMEAIARVRJG-UHFFFAOYSA-N 1 0 342.468 3.303 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2COc3ccc(C)cc32)cc1Cn1cccn1 ZINC000873076810 1297261663 /nfs/dbraw/zinc/26/16/63/1297261663.db2.gz BINJLNNQNNCEBZ-LJQANCHMSA-N 1 0 349.434 3.472 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000378905618 1297528081 /nfs/dbraw/zinc/52/80/81/1297528081.db2.gz DYLRTCQKHWQCOD-INIZCTEOSA-N 1 0 332.444 3.111 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCN(C)C(=O)OC(C)(C)C)cc1 ZINC000379686313 1297538984 /nfs/dbraw/zinc/53/89/84/1297538984.db2.gz PEYSELXYULNEIT-UHFFFAOYSA-N 1 0 335.492 3.489 20 10 EGCDRO Cc1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000390334307 1297624106 /nfs/dbraw/zinc/62/41/06/1297624106.db2.gz KYHWRSUNAWUPCB-UHFFFAOYSA-N 1 0 334.485 3.007 20 10 EGCDRO CCc1cc(C[N@H+](C)CC(=O)N2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000874009440 1297754898 /nfs/dbraw/zinc/75/48/98/1297754898.db2.gz WMYQVHKRPCETFI-UHFFFAOYSA-N 1 0 332.488 3.306 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC000706558756 1298220930 /nfs/dbraw/zinc/22/09/30/1298220930.db2.gz ZVLAIQIRPGXILI-CQSZACIVSA-N 1 0 328.250 3.462 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000713535137 1298270840 /nfs/dbraw/zinc/27/08/40/1298270840.db2.gz XEMOLFQOGMMYBQ-COLVAYQJSA-N 1 0 338.245 3.202 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Br)ccc1O ZINC000717825589 1298303552 /nfs/dbraw/zinc/30/35/52/1298303552.db2.gz ACQKIKDUFNDGBF-KOLCDFICSA-N 1 0 338.192 3.212 20 10 EGCDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850215 1298377260 /nfs/dbraw/zinc/37/72/60/1298377260.db2.gz RGCPTSSOVQSBGG-MRXNPFEDSA-N 1 0 335.448 3.082 20 10 EGCDRO CCC[N@H+](CC)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000746769903 1298658782 /nfs/dbraw/zinc/65/87/82/1298658782.db2.gz IAIOLEFLGSELCE-UHFFFAOYSA-N 1 0 348.535 3.405 20 10 EGCDRO Cc1cc(C(=O)NCCNc2cc[nH+]cc2)c(C)n1-c1ccccc1C ZINC000747209425 1298743116 /nfs/dbraw/zinc/74/31/16/1298743116.db2.gz FXLQZMKRDJQTHE-UHFFFAOYSA-N 1 0 348.450 3.061 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C/CCc2ccccc2)cc1 ZINC000876506639 1298796567 /nfs/dbraw/zinc/79/65/67/1298796567.db2.gz NABLBEGKHCEIGA-OEMHODTASA-N 1 0 337.467 3.058 20 10 EGCDRO Cc1ccccc1C[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506667 1298798392 /nfs/dbraw/zinc/79/83/92/1298798392.db2.gz NLRSZRQCFDXVNL-UZLBHIALSA-N 1 0 339.483 3.056 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(O)c1 ZINC000876649102 1298896288 /nfs/dbraw/zinc/89/62/88/1298896288.db2.gz LWVWIMKLRKDEPU-UHFFFAOYSA-N 1 0 330.472 3.362 20 10 EGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000876690828 1298923399 /nfs/dbraw/zinc/92/33/99/1298923399.db2.gz SGTMQMLCRYXHDU-HNNXBMFYSA-N 1 0 334.460 3.389 20 10 EGCDRO Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c(O)c1 ZINC000876750466 1298956961 /nfs/dbraw/zinc/95/69/61/1298956961.db2.gz VXKJWUPKROXQEQ-UHFFFAOYSA-N 1 0 331.847 3.067 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000748268486 1298972829 /nfs/dbraw/zinc/97/28/29/1298972829.db2.gz UFMQFUSSFHDGPA-QGZVFWFLSA-N 1 0 349.471 3.165 20 10 EGCDRO O=C(NCc1ccccc1O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000748462683 1299013867 /nfs/dbraw/zinc/01/38/67/1299013867.db2.gz GOMOCCQHZWDJLV-UHFFFAOYSA-N 1 0 345.487 3.380 20 10 EGCDRO Cc1cccc(O)c1CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000876825314 1299017195 /nfs/dbraw/zinc/01/71/95/1299017195.db2.gz USHITVHFBCGJSR-UHFFFAOYSA-N 1 0 326.440 3.187 20 10 EGCDRO OCCCCOc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876995105 1299106327 /nfs/dbraw/zinc/10/63/27/1299106327.db2.gz AIXBUMIWOLQKIW-UHFFFAOYSA-N 1 0 327.424 3.063 20 10 EGCDRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2c(C)cccc2O)C1 ZINC000876999351 1299108846 /nfs/dbraw/zinc/10/88/46/1299108846.db2.gz SVPJJPPIMJQZTA-MRXNPFEDSA-N 1 0 326.440 3.325 20 10 EGCDRO CC(C)COC(=O)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000749249379 1299177727 /nfs/dbraw/zinc/17/77/27/1299177727.db2.gz XEJCWAQLAHKNIH-UHFFFAOYSA-N 1 0 342.439 3.456 20 10 EGCDRO CN(Cc1ccc2nccnc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000877342447 1299254886 /nfs/dbraw/zinc/25/48/86/1299254886.db2.gz NBZNOVPQCVHNNI-UHFFFAOYSA-N 1 0 336.439 3.207 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000749841261 1299285728 /nfs/dbraw/zinc/28/57/28/1299285728.db2.gz WYFLGMZHTHFDIX-MRXNPFEDSA-N 1 0 333.432 3.100 20 10 EGCDRO Cc1cc(Cl)nc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877498229 1299347650 /nfs/dbraw/zinc/34/76/50/1299347650.db2.gz OFLOMJYOEDPTKS-UHFFFAOYSA-N 1 0 345.874 3.294 20 10 EGCDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877518849 1299361199 /nfs/dbraw/zinc/36/11/99/1299361199.db2.gz WBAUPWCGXMIPMM-XLIONFOSSA-N 1 0 346.515 3.163 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2Br)c1 ZINC000877532842 1299374847 /nfs/dbraw/zinc/37/48/47/1299374847.db2.gz ISINWUJSBZEWAI-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2OCCCCO)c1 ZINC000877533364 1299375363 /nfs/dbraw/zinc/37/53/63/1299375363.db2.gz NOCVUKVFHBNVRM-HNNXBMFYSA-N 1 0 345.439 3.403 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000877729597 1299508350 /nfs/dbraw/zinc/50/83/50/1299508350.db2.gz WECMFDDOHSGFFE-CQSZACIVSA-N 1 0 347.480 3.251 20 10 EGCDRO COC(=O)[C@]1(F)CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000751934843 1299656938 /nfs/dbraw/zinc/65/69/38/1299656938.db2.gz AQBWYMBLZNOYJF-IBGZPJMESA-N 1 0 343.354 3.379 20 10 EGCDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753572793 1299977710 /nfs/dbraw/zinc/97/77/10/1299977710.db2.gz YLKQIMKOXVLQLF-KRWDZBQOSA-N 1 0 340.467 3.403 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000754082155 1300081635 /nfs/dbraw/zinc/08/16/35/1300081635.db2.gz RLQHCDWRYVJQOH-CTNGQTDRSA-N 1 0 342.483 3.107 20 10 EGCDRO CCCC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CCC1 ZINC000754350446 1300127611 /nfs/dbraw/zinc/12/76/11/1300127611.db2.gz GVVJKKYCVFAHBS-LJQANCHMSA-N 1 0 331.504 3.317 20 10 EGCDRO CC(C)C(=O)NCCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000756041922 1300431024 /nfs/dbraw/zinc/43/10/24/1300431024.db2.gz RJQJLGURHBHXIN-UHFFFAOYSA-N 1 0 326.440 3.311 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)c2c1c(F)ccc2O ZINC000756402812 1300484741 /nfs/dbraw/zinc/48/47/41/1300484741.db2.gz ZAPFVGVPWFIFKW-ABAIWWIYSA-N 1 0 332.419 3.070 20 10 EGCDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000756435221 1300490485 /nfs/dbraw/zinc/49/04/85/1300490485.db2.gz XZOBDCUHWYASJB-GFCCVEGCSA-N 1 0 348.830 3.021 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cc(F)ccc1O ZINC000756455386 1300496115 /nfs/dbraw/zinc/49/61/15/1300496115.db2.gz SFNAWHKIGFGCDA-DYVFJYSZSA-N 1 0 330.403 3.402 20 10 EGCDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)ccc1OCCO ZINC000756458423 1300496204 /nfs/dbraw/zinc/49/62/04/1300496204.db2.gz MMXKFXPSYFIIBY-LSDHHAIUSA-N 1 0 345.439 3.492 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2F)c2c1c(F)ccc2O ZINC000756460736 1300497662 /nfs/dbraw/zinc/49/76/62/1300497662.db2.gz RAKLIJHABBERGN-XHDPSFHLSA-N 1 0 346.377 3.238 20 10 EGCDRO C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756482875 1300502999 /nfs/dbraw/zinc/50/29/99/1300502999.db2.gz JQEKBSHVIDJVAQ-MJBXVCDLSA-N 1 0 342.430 3.210 20 10 EGCDRO C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756505990 1300509525 /nfs/dbraw/zinc/50/95/25/1300509525.db2.gz ZJQGSLZVJWNXMR-NXEZZACHSA-N 1 0 333.245 3.285 20 10 EGCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Br)cc1O ZINC000756645436 1300540587 /nfs/dbraw/zinc/54/05/87/1300540587.db2.gz GPGGOJUKBGRENO-PGUXBMHVSA-N 1 0 339.277 3.288 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c2c1c(F)ccc2O ZINC000756655526 1300542452 /nfs/dbraw/zinc/54/24/52/1300542452.db2.gz QNEQLOJWPIWBRD-IVMMDQJWSA-N 1 0 346.446 3.460 20 10 EGCDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc2ccccc2c1O ZINC000756762883 1300562152 /nfs/dbraw/zinc/56/21/52/1300562152.db2.gz SHFYAASZJCTKOU-CYBMUJFWSA-N 1 0 333.453 3.021 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000756777340 1300565661 /nfs/dbraw/zinc/56/56/61/1300565661.db2.gz IBUYAWULRHLXOC-UXVLEFJLSA-N 1 0 325.499 3.431 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000756850780 1300576749 /nfs/dbraw/zinc/57/67/49/1300576749.db2.gz OGTFZGXSWINQFT-GFCCVEGCSA-N 1 0 327.380 3.469 20 10 EGCDRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648636 1300649740 /nfs/dbraw/zinc/64/97/40/1300649740.db2.gz XBNIOMUVHAFYAK-OLZOCXBDSA-N 1 0 326.396 3.273 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)ccc1OC ZINC000757802073 1300736871 /nfs/dbraw/zinc/73/68/71/1300736871.db2.gz ZEKIPUXTFUFBNQ-XLIONFOSSA-N 1 0 349.471 3.443 20 10 EGCDRO CCc1cc(C[NH+]2CCC(O)(COC)CC2)c(O)c(C(C)(C)C)c1 ZINC000758370010 1300863010 /nfs/dbraw/zinc/86/30/10/1300863010.db2.gz FABUSWIHAOHDQX-UHFFFAOYSA-N 1 0 335.488 3.225 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000758530256 1300904576 /nfs/dbraw/zinc/90/45/76/1300904576.db2.gz SQAUPVUPLNQAPW-WOJBJXKFSA-N 1 0 328.431 3.148 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[N@H+]2CC=C(C(C)(C)C)CC2)cc1 ZINC000759269232 1301056212 /nfs/dbraw/zinc/05/62/12/1301056212.db2.gz RHBWNCRSFOAOLW-UHFFFAOYSA-N 1 0 329.488 3.047 20 10 EGCDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000759837867 1301173445 /nfs/dbraw/zinc/17/34/45/1301173445.db2.gz VCEQMLLMJJYBNA-DOTOQJQBSA-N 1 0 347.459 3.490 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000760040449 1301212076 /nfs/dbraw/zinc/21/20/76/1301212076.db2.gz KDMIERVLUACQOB-YHJVDBJQSA-N 1 0 345.414 3.357 20 10 EGCDRO CCN(Cc1c(O)cccc1OC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000761225256 1301424544 /nfs/dbraw/zinc/42/45/44/1301424544.db2.gz AUNZDNCPGWNUAO-SFHVURJKSA-N 1 0 340.467 3.497 20 10 EGCDRO CN(Cc1nn(C)c2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223821 1301424888 /nfs/dbraw/zinc/42/48/88/1301424888.db2.gz RPBWPMOLXBDMRZ-UHFFFAOYSA-N 1 0 338.455 3.150 20 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CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000766605411 1302485887 /nfs/dbraw/zinc/48/58/87/1302485887.db2.gz LZWZUTDEHOLZNU-HBMCJLEFSA-N 1 0 345.531 3.437 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1[nH]nc2ccccc21)C[C@H]1CCCO1 ZINC000768160868 1302838975 /nfs/dbraw/zinc/83/89/75/1302838975.db2.gz BAWCQKGQRBKCBI-MRXNPFEDSA-N 1 0 337.423 3.450 20 10 EGCDRO CCC[N@@H+](Cc1cccc(OC)c1O)C[C@H]1COc2ccccc2O1 ZINC000768179581 1302846590 /nfs/dbraw/zinc/84/65/90/1302846590.db2.gz GKNVMMZVKWPZLJ-INIZCTEOSA-N 1 0 343.423 3.453 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1)[C@@H](O)CO2 ZINC000768442435 1302904058 /nfs/dbraw/zinc/90/40/58/1302904058.db2.gz WBINOIYJAFWCSY-APWZRJJASA-N 1 0 325.408 3.025 20 10 EGCDRO COc1cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c(O)cc1C ZINC000768444763 1302906112 /nfs/dbraw/zinc/90/61/12/1302906112.db2.gz OESNGNPERVIETN-HXUWFJFHSA-N 1 0 327.424 3.455 20 10 EGCDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768447908 1302909085 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CCN(C)c1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1 ZINC000773757284 1303735456 /nfs/dbraw/zinc/73/54/56/1303735456.db2.gz OGMWJESMCYAXFX-OAQYLSRUSA-N 1 0 342.483 3.152 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000773770015 1303737707 /nfs/dbraw/zinc/73/77/07/1303737707.db2.gz AVSYHSDJAPYRFA-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccnc1Cl ZINC000774485219 1303816660 /nfs/dbraw/zinc/81/66/60/1303816660.db2.gz SKGLHNCJBPIEBN-STQMWFEESA-N 1 0 346.862 3.479 20 10 EGCDRO COc1c(O)c(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775055201 1303896184 /nfs/dbraw/zinc/89/61/84/1303896184.db2.gz QWYSFPJXBGSRBD-GXSJLCMTSA-N 1 0 348.321 3.472 20 10 EGCDRO CCCN(Cc1ccc(-n2cncn2)c(F)c1)c1ccc(C[NH3+])cc1 ZINC000775141039 1303914961 /nfs/dbraw/zinc/91/49/61/1303914961.db2.gz UXQBRBBPSAHGLR-UHFFFAOYSA-N 1 0 339.418 3.282 20 10 EGCDRO COC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000775320682 1303938489 /nfs/dbraw/zinc/93/84/89/1303938489.db2.gz GSOXOSCGKHHJML-UHFFFAOYSA-N 1 0 336.451 3.101 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H]1Oc1ccccc1 ZINC000775484789 1303970630 /nfs/dbraw/zinc/97/06/30/1303970630.db2.gz IWFJYFSTXWUMQU-NJYVYQBISA-N 1 0 340.467 3.467 20 10 EGCDRO CC[C@H]([NH2+]CCN1CCC(OC)CC1)c1cc(Cl)ccc1O ZINC000775511464 1303976188 /nfs/dbraw/zinc/97/61/88/1303976188.db2.gz GAPORUKIQOVLDM-INIZCTEOSA-N 1 0 326.868 3.197 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](CCO)C2CCCC2)c1O ZINC000775637263 1304000418 /nfs/dbraw/zinc/00/04/18/1304000418.db2.gz MYBXUMJLXLYYOY-UHFFFAOYSA-N 1 0 328.250 3.200 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CCC(CCO)CC2)c1O ZINC000775648398 1304003013 /nfs/dbraw/zinc/00/30/13/1304003013.db2.gz SZNKUYIUYFESNA-UHFFFAOYSA-N 1 0 328.250 3.058 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000775677896 1304013231 /nfs/dbraw/zinc/01/32/31/1304013231.db2.gz JSMWVGXOUWOPSW-GPMSIDNRSA-N 1 0 331.504 3.125 20 10 EGCDRO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775832965 1304046446 /nfs/dbraw/zinc/04/64/46/1304046446.db2.gz DEXQGLMSRGUDDW-VQIMIIECSA-N 1 0 328.456 3.152 20 10 EGCDRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834009 1304046977 /nfs/dbraw/zinc/04/69/77/1304046977.db2.gz ODHLAGROUNTXGP-OAHLLOKOSA-N 1 0 341.455 3.441 20 10 EGCDRO Cc1c(-c2cc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)on2)cnn1C ZINC000775835499 1304047956 /nfs/dbraw/zinc/04/79/56/1304047956.db2.gz ZZIOPNUFKXKCAL-ZDUSSCGKSA-N 1 0 339.443 3.300 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775837037 1304048221 /nfs/dbraw/zinc/04/82/21/1304048221.db2.gz QPPDZADUUCUWHT-JKSUJKDBSA-N 1 0 337.467 3.381 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589760 1304176497 /nfs/dbraw/zinc/17/64/97/1304176497.db2.gz WJTSYHQXMOWOLC-GOSISDBHSA-N 1 0 330.384 3.246 20 10 EGCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000776866384 1304213841 /nfs/dbraw/zinc/21/38/41/1304213841.db2.gz GBOLEYKQKJCUPN-NIKGAXFTSA-N 1 0 345.439 3.017 20 10 EGCDRO Cc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000779161794 1304536493 /nfs/dbraw/zinc/53/64/93/1304536493.db2.gz JNJCFJZYAWPSKW-HUUCEWRRSA-N 1 0 334.460 3.436 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1F ZINC000780575604 1304710974 /nfs/dbraw/zinc/71/09/74/1304710974.db2.gz FMKZNQGFNNWKAD-BBRMVZONSA-N 1 0 348.384 3.465 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3nnc(-c4ccccc4)o3)cc2)CC1 ZINC000780905009 1304749899 /nfs/dbraw/zinc/74/98/99/1304749899.db2.gz VENWFNSSEWERKU-UHFFFAOYSA-N 1 0 349.438 3.101 20 10 EGCDRO CC(C)c1[nH]ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249807 1305000114 /nfs/dbraw/zinc/00/01/14/1305000114.db2.gz SXVAOTQGMWHBFP-SFHVURJKSA-N 1 0 342.487 3.237 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CC=CCC2)[NH+](C)C)cc1 ZINC000891248924 1305000130 /nfs/dbraw/zinc/00/01/30/1305000130.db2.gz OQSPVDAYPUJVKM-QUCCMNQESA-N 1 0 329.488 3.218 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC23CCCC3)[NH+](C)C)cc1 ZINC000891252658 1305000176 /nfs/dbraw/zinc/00/01/76/1305000176.db2.gz LWNGBFWGZCFWSE-ROUUACIJSA-N 1 0 329.488 3.052 20 10 EGCDRO CSc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891252748 1305000424 /nfs/dbraw/zinc/00/04/24/1305000424.db2.gz NLZIRTOWDZORRL-HNNXBMFYSA-N 1 0 347.484 3.100 20 10 EGCDRO CSc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)co1 ZINC000891248509 1305000436 /nfs/dbraw/zinc/00/04/36/1305000436.db2.gz XOLLADWBSHLDJY-INIZCTEOSA-N 1 0 347.484 3.100 20 10 EGCDRO Cc1cscc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253368 1305000687 /nfs/dbraw/zinc/00/06/87/1305000687.db2.gz RRTQUJMNVXLRJE-KRWDZBQOSA-N 1 0 331.485 3.155 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)cc1F ZINC000891510098 1305072972 /nfs/dbraw/zinc/07/29/72/1305072972.db2.gz VLDGXPFXOJZHPB-UHFFFAOYSA-N 1 0 335.375 3.189 20 10 EGCDRO CCC[N@H+](Cc1ccc(OCC(=O)OC)cc1)Cc1ccccc1O ZINC000783443897 1305093446 /nfs/dbraw/zinc/09/34/46/1305093446.db2.gz BBGZOSXSBVJJEX-UHFFFAOYSA-N 1 0 343.423 3.356 20 10 EGCDRO Cc1cccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)c1 ZINC000784026877 1305179026 /nfs/dbraw/zinc/17/90/26/1305179026.db2.gz PSJZJHQVBFXUQD-DNVCBOLYSA-N 1 0 325.408 3.116 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3cc(OC)ccc3C2)c1 ZINC000784623385 1305265792 /nfs/dbraw/zinc/26/57/92/1305265792.db2.gz KZTLBFBPQZBWCH-KRWDZBQOSA-N 1 0 327.424 3.447 20 10 EGCDRO COc1ccc(C[N@H+](C)CCOCc2ccccc2)c(O)c1OC ZINC000892224011 1305284818 /nfs/dbraw/zinc/28/48/18/1305284818.db2.gz OXJHAEUXJFJHGI-UHFFFAOYSA-N 1 0 331.412 3.058 20 10 EGCDRO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000786818440 1305635071 /nfs/dbraw/zinc/63/50/71/1305635071.db2.gz YFYAGYBZVSUNLN-INIZCTEOSA-N 1 0 334.508 3.187 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000786956516 1305665876 /nfs/dbraw/zinc/66/58/76/1305665876.db2.gz FYQLNTSDQPLARD-LLVKDONJSA-N 1 0 325.455 3.016 20 10 EGCDRO COc1ccc(C[NH2+]CCc2nc3c(cccc3C)o2)c(O)c1OC ZINC000893074315 1305692508 /nfs/dbraw/zinc/69/25/08/1305692508.db2.gz MIIBZXRBFXPKFW-UHFFFAOYSA-N 1 0 342.395 3.191 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@](C)(C(=O)OC)c2ccccc2)c(O)c1 ZINC000787430127 1305745607 /nfs/dbraw/zinc/74/56/07/1305745607.db2.gz ZVWJOPCTRFRFSQ-FQEVSTJZSA-N 1 0 343.423 3.011 20 10 EGCDRO COc1ccc(N2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)cc1 ZINC000787732050 1305785859 /nfs/dbraw/zinc/78/58/59/1305785859.db2.gz VIXZAECJYKNQHV-IBGZPJMESA-N 1 0 331.504 3.080 20 10 EGCDRO CCN(CCC[NH+](CC)CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000788324112 1305922303 /nfs/dbraw/zinc/92/23/03/1305922303.db2.gz RLFYHQORCSXQFP-UHFFFAOYSA-N 1 0 348.535 3.324 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc[nH]c(=O)c1 ZINC000788563863 1305971549 /nfs/dbraw/zinc/97/15/49/1305971549.db2.gz ODXINWGRUHUFHK-LSDHHAIUSA-N 1 0 327.428 3.036 20 10 EGCDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000789557471 1306185292 /nfs/dbraw/zinc/18/52/92/1306185292.db2.gz IOHPMZVKGXHJTB-HXUWFJFHSA-N 1 0 327.424 3.318 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]CCOC(F)(F)F)c1O ZINC000789578200 1306187449 /nfs/dbraw/zinc/18/74/49/1306187449.db2.gz BVDGIEJZQNDIFM-UHFFFAOYSA-N 1 0 328.128 3.089 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCc2ccn(-c3ccccc3)n2)c1O ZINC000894211509 1306279894 /nfs/dbraw/zinc/27/98/94/1306279894.db2.gz PMSXZEWAKYFCSP-UHFFFAOYSA-N 1 0 337.423 3.227 20 10 EGCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H](C)O2 ZINC000790395074 1306315330 /nfs/dbraw/zinc/31/53/30/1306315330.db2.gz BGTZGWPMJBLJAA-LAPQFRIASA-N 1 0 349.471 3.164 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790457348 1306330751 /nfs/dbraw/zinc/33/07/51/1306330751.db2.gz DYYBFECJQLOEKK-KRWDZBQOSA-N 1 0 344.499 3.449 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCNC(=O)CC2CCCCC2)cc1F ZINC000790545979 1306349486 /nfs/dbraw/zinc/34/94/86/1306349486.db2.gz YRBUEYHEXJCQEG-UHFFFAOYSA-N 1 0 335.467 3.068 20 10 EGCDRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc(O)c1O ZINC000790772022 1308863092 /nfs/dbraw/zinc/86/30/92/1308863092.db2.gz IZBYSKYYKGTNSQ-QGZVFWFLSA-N 1 0 340.423 3.055 20 10 EGCDRO Cc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c(C)n1-c1ccc(F)cc1 ZINC000791249031 1308940665 /nfs/dbraw/zinc/94/06/65/1308940665.db2.gz MEZRJVSRXBQPSV-UHFFFAOYSA-N 1 0 341.430 3.011 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1O ZINC000894685879 1309020988 /nfs/dbraw/zinc/02/09/88/1309020988.db2.gz RVCFJWMWIGSXBD-CYBMUJFWSA-N 1 0 338.448 3.102 20 10 EGCDRO COCCOCc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894811105 1309084599 /nfs/dbraw/zinc/08/45/99/1309084599.db2.gz YQTSLIRVSGXSIM-UHFFFAOYSA-N 1 0 345.439 3.162 20 10 EGCDRO COc1ccc(CNc2ccc(C[NH+](C)C)c(C)c2)c(O)c1OC ZINC000894865706 1309106021 /nfs/dbraw/zinc/10/60/21/1309106021.db2.gz KPJLHNRALJUNFP-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000792834403 1309241595 /nfs/dbraw/zinc/24/15/95/1309241595.db2.gz IELLVXNSRYWBPZ-MRXNPFEDSA-N 1 0 328.378 3.384 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c(C(F)(F)F)c1 ZINC000792991506 1309278189 /nfs/dbraw/zinc/27/81/89/1309278189.db2.gz JEIUNDAKVRSHDF-CYBMUJFWSA-N 1 0 338.377 3.142 20 10 EGCDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793048663 1309286992 /nfs/dbraw/zinc/28/69/92/1309286992.db2.gz LMAROACCBGARRI-ZDUSSCGKSA-N 1 0 329.410 3.203 20 10 EGCDRO CC[C@@]1(O)CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895444849 1309339591 /nfs/dbraw/zinc/33/95/91/1309339591.db2.gz UTZBFSUWMFFJID-CQSZACIVSA-N 1 0 332.213 3.031 20 10 EGCDRO COc1ccc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c(O)c1OC ZINC000895586149 1309415508 /nfs/dbraw/zinc/41/55/08/1309415508.db2.gz WERHQLCANCNCEL-UHFFFAOYSA-N 1 0 330.428 3.180 20 10 EGCDRO CN(C)c1ccc(CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C2CC2)cc1 ZINC000895633395 1309436629 /nfs/dbraw/zinc/43/66/29/1309436629.db2.gz NDOKSLFKTASZBR-SFHVURJKSA-N 1 0 329.488 3.116 20 10 EGCDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000794378931 1309513597 /nfs/dbraw/zinc/51/35/97/1309513597.db2.gz HAXFMMZGDPKIRL-LJQANCHMSA-N 1 0 342.439 3.100 20 10 EGCDRO CSC(C)(C)CC[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895813401 1309531507 /nfs/dbraw/zinc/53/15/07/1309531507.db2.gz JXULMWKBKYVKFP-UHFFFAOYSA-N 1 0 349.544 3.010 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCc3cc(O)c(OC)cc3C2)c(O)c1 ZINC000895889512 1309580215 /nfs/dbraw/zinc/58/02/15/1309580215.db2.gz WEKQMXJFEZIWSB-UHFFFAOYSA-N 1 0 329.396 3.063 20 10 EGCDRO CC[C@H]([NH2+]Cc1ncnn1CC)c1cc(Br)ccc1O ZINC000794841019 1309606870 /nfs/dbraw/zinc/60/68/70/1309606870.db2.gz KOAMQGHZDDBZLM-LBPRGKRZSA-N 1 0 339.237 3.007 20 10 EGCDRO CC[C@H](C)CCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000796231886 1309940745 /nfs/dbraw/zinc/94/07/45/1309940745.db2.gz MAJCUTDUWBLVHD-INIZCTEOSA-N 1 0 349.494 3.410 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000896985696 1310121579 /nfs/dbraw/zinc/12/15/79/1310121579.db2.gz WKVGVPGDWRUHQR-HNNXBMFYSA-N 1 0 334.460 3.437 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000897331554 1310295237 /nfs/dbraw/zinc/29/52/37/1310295237.db2.gz ULZGFTXVKRHXHV-HNNXBMFYSA-N 1 0 341.329 3.243 20 10 EGCDRO CN(C)c1ccc([C@H](CNc2nc(C3CC3)ns2)[NH+](C)C)cc1 ZINC000897524845 1310363654 /nfs/dbraw/zinc/36/36/54/1310363654.db2.gz FPOCQRZPSYMZAY-HNNXBMFYSA-N 1 0 331.489 3.196 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897555240 1310377364 /nfs/dbraw/zinc/37/73/64/1310377364.db2.gz QELZXEBWMFPXOX-QGZVFWFLSA-N 1 0 347.503 3.436 20 10 EGCDRO CN(C)CC1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1 ZINC000798961128 1310464922 /nfs/dbraw/zinc/46/49/22/1310464922.db2.gz QZIIJGFBUCRNOQ-UHFFFAOYSA-N 1 0 329.410 3.345 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)CCCO1 ZINC000798963736 1310465625 /nfs/dbraw/zinc/46/56/25/1310465625.db2.gz CKNCMJZVSKZYQQ-ZDUSSCGKSA-N 1 0 344.249 3.164 20 10 EGCDRO Fc1cc(C[NH2+][C@@H](c2ccncc2)C2CC2)ccc1N1CCOCC1 ZINC000898326289 1310678042 /nfs/dbraw/zinc/67/80/42/1310678042.db2.gz VHDCFKWYKHSEEW-HXUWFJFHSA-N 1 0 341.430 3.298 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)cc1 ZINC000800311986 1310730665 /nfs/dbraw/zinc/73/06/65/1310730665.db2.gz QCKVPMRTURGKAS-SDNWHVSQSA-N 1 0 337.467 3.062 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc3[nH]cnc3c2)N(C)C)cc1 ZINC000898450676 1310741891 /nfs/dbraw/zinc/74/18/91/1310741891.db2.gz CLWGMYPLMKJLJD-FQEVSTJZSA-N 1 0 337.471 3.021 20 10 EGCDRO CCC1(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOCC1 ZINC000898450238 1310742224 /nfs/dbraw/zinc/74/22/24/1310742224.db2.gz PEOCRIDHNPOQRV-IBGZPJMESA-N 1 0 333.520 3.152 20 10 EGCDRO Cc1ccc(CCC[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898451312 1310742383 /nfs/dbraw/zinc/74/23/83/1310742383.db2.gz XFNZLLLUTPVKAE-NRFANRHFSA-N 1 0 340.515 3.281 20 10 EGCDRO C[C@H]([NH2+]CCCOC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000800989569 1310848252 /nfs/dbraw/zinc/84/82/52/1310848252.db2.gz GOQFINUVHXZWEG-LBPRGKRZSA-N 1 0 348.821 3.457 20 10 EGCDRO CC(C)[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101653 1310933437 /nfs/dbraw/zinc/93/34/37/1310933437.db2.gz KHFBXYVUSYKYHB-QAPCUYQASA-N 1 0 334.508 3.041 20 10 EGCDRO CC[N@H+](Cc1cnn(C)c1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824609681 1320269542 /nfs/dbraw/zinc/26/95/42/1320269542.db2.gz CQNWMRPMLCGTSR-UHFFFAOYSA-N 1 0 331.460 3.454 20 10 EGCDRO CC(C)(CO)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824603730 1320269990 /nfs/dbraw/zinc/26/99/90/1320269990.db2.gz ZNUIDZWJFVYWGU-UHFFFAOYSA-N 1 0 335.448 3.083 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1Cl ZINC000826084154 1320382868 /nfs/dbraw/zinc/38/28/68/1320382868.db2.gz VUIPJDHMBIRDOA-DYVFJYSZSA-N 1 0 335.835 3.097 20 10 EGCDRO OCCOCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC000827210020 1320433932 /nfs/dbraw/zinc/43/39/32/1320433932.db2.gz JNXAVYKZULUPAF-UHFFFAOYSA-N 1 0 332.488 3.040 20 10 EGCDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839130072 1320876283 /nfs/dbraw/zinc/87/62/83/1320876283.db2.gz RIFLTYFAVOYLGA-OKILXGFUSA-N 1 0 339.277 3.052 20 10 EGCDRO C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000839562665 1320938452 /nfs/dbraw/zinc/93/84/52/1320938452.db2.gz ABDGBFOATPALBI-CQSZACIVSA-N 1 0 336.439 3.295 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000802005948 1316974755 /nfs/dbraw/zinc/97/47/55/1316974755.db2.gz CUYQLXARKDISHM-QGZVFWFLSA-N 1 0 347.503 3.436 20 10 EGCDRO COc1ccc2c(c1)OCC[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000802743661 1317035147 /nfs/dbraw/zinc/03/51/47/1317035147.db2.gz KOINKXXISWKVTH-UHFFFAOYSA-N 1 0 336.391 3.344 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1F ZINC000858142432 1328694772 /nfs/dbraw/zinc/69/47/72/1328694772.db2.gz ANXIDOUFCJVTOF-INIZCTEOSA-N 1 0 342.336 3.132 20 10 EGCDRO COC[C@H](NCc1c(O)cccc1Br)c1ccco1 ZINC000858148381 1328696391 /nfs/dbraw/zinc/69/63/91/1328696391.db2.gz VJLCMMZOJKPSEG-LBPRGKRZSA-N 1 0 326.190 3.225 20 10 EGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858155780 1328698118 /nfs/dbraw/zinc/69/81/18/1328698118.db2.gz IKUHVHKVOVSHID-NHYWBVRUSA-N 1 0 328.250 3.448 20 10 EGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858170359 1328702309 /nfs/dbraw/zinc/70/23/09/1328702309.db2.gz JLGICRVEQGIYNY-NSHDSACASA-N 1 0 340.336 3.478 20 10 EGCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)OCC1CC1 ZINC000858178745 1328704269 /nfs/dbraw/zinc/70/42/69/1328704269.db2.gz RTALHGMIZOGUJE-UHFFFAOYSA-N 1 0 328.250 3.450 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1F ZINC000858173926 1328703741 /nfs/dbraw/zinc/70/37/41/1328703741.db2.gz JQVVISISNNYSJA-AUUYWEPGSA-N 1 0 347.409 3.436 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1 ZINC000806662517 1317517162 /nfs/dbraw/zinc/51/71/62/1317517162.db2.gz DDTPQQPDBTYRLT-YOEHRIQHSA-N 1 0 337.533 3.003 20 10 EGCDRO CNc1ccccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000902595792 1317598447 /nfs/dbraw/zinc/59/84/47/1317598447.db2.gz WJKCNBZXMSHRQP-UHFFFAOYSA-N 1 0 347.409 3.133 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)C2)cc1C ZINC001020321936 1317642798 /nfs/dbraw/zinc/64/27/98/1317642798.db2.gz VNDRETAXXFZNOQ-ZRSRNVLSSA-N 1 0 342.483 3.177 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000903231998 1317676879 /nfs/dbraw/zinc/67/68/79/1317676879.db2.gz SIMAKJQIGKVWGQ-GOSISDBHSA-N 1 0 331.504 3.050 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)N(C)C)cc1 ZINC000903449332 1317702380 /nfs/dbraw/zinc/70/23/80/1317702380.db2.gz XIQGHOBEMYCQOM-NHCUHLMSSA-N 1 0 338.499 3.491 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1O ZINC000903480635 1317705422 /nfs/dbraw/zinc/70/54/22/1317705422.db2.gz YVISFCAEPOPRDR-WDEREUQCSA-N 1 0 336.233 3.017 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000808706918 1317719325 /nfs/dbraw/zinc/71/93/25/1317719325.db2.gz BEUIQQHKTPEVPW-IACUBPJLSA-N 1 0 345.892 3.360 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c1O ZINC000808706190 1317719473 /nfs/dbraw/zinc/71/94/73/1317719473.db2.gz ZCMWTEJBMDDCKR-LLVKDONJSA-N 1 0 333.881 3.218 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c(O)c1 ZINC000858251375 1328723261 /nfs/dbraw/zinc/72/32/61/1328723261.db2.gz WFWKTUUYVWNXNY-UHFFFAOYSA-N 1 0 328.412 3.063 20 10 EGCDRO COc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000809736312 1317884513 /nfs/dbraw/zinc/88/45/13/1317884513.db2.gz OLZRJBRSMPTNHW-UHFFFAOYSA-N 1 0 332.419 3.104 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000809770980 1317896008 /nfs/dbraw/zinc/89/60/08/1317896008.db2.gz CLMORSQHPCRTPQ-QGZVFWFLSA-N 1 0 347.478 3.116 20 10 EGCDRO COC[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)OCCc2ccccc21 ZINC000810158734 1317965463 /nfs/dbraw/zinc/96/54/63/1317965463.db2.gz SNGUGGAQPCDNQB-IBGZPJMESA-N 1 0 347.842 3.250 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@]3(C)C(C)C)C2)cc1C ZINC001020858524 1317965871 /nfs/dbraw/zinc/96/58/71/1317965871.db2.gz SGDONWRZONNXOH-RYLXDESZSA-N 1 0 344.499 3.423 20 10 EGCDRO CC[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810217130 1317979232 /nfs/dbraw/zinc/97/92/32/1317979232.db2.gz WZRTVRIEMPDHJS-SWLSCSKDSA-N 1 0 346.393 3.172 20 10 EGCDRO Oc1cc2c(cc1CN1C[C@@H]3CCC[N@@H+]3Cc3ccccc31)OCO2 ZINC000811508339 1318186952 /nfs/dbraw/zinc/18/69/52/1318186952.db2.gz MMOQMSDGAJAKDU-INIZCTEOSA-N 1 0 338.407 3.106 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000811863972 1318281904 /nfs/dbraw/zinc/28/19/04/1318281904.db2.gz HZPLEYBKPORVTE-INIZCTEOSA-N 1 0 334.508 3.061 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)C[C@H](C)OC ZINC000812807419 1318461038 /nfs/dbraw/zinc/46/10/38/1318461038.db2.gz NYDQCNMYOAOXFI-JTQLQIEISA-N 1 0 332.238 3.020 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000813791847 1318633299 /nfs/dbraw/zinc/63/32/99/1318633299.db2.gz KHORPIPKVOVRGP-HNNXBMFYSA-N 1 0 330.403 3.299 20 10 EGCDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(C)c(O)c1O ZINC000813854568 1318644230 /nfs/dbraw/zinc/64/42/30/1318644230.db2.gz BFYKQEZTGBBFKY-UHFFFAOYSA-N 1 0 334.460 3.134 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Br)cc(F)c1[O-] ZINC000813877200 1318648930 /nfs/dbraw/zinc/64/89/30/1318648930.db2.gz NZMBZUYZWMCBFM-VHSXEESVSA-N 1 0 333.245 3.142 20 10 EGCDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000814170907 1318686946 /nfs/dbraw/zinc/68/69/46/1318686946.db2.gz DLDCKCKVNRSZTK-HXUWFJFHSA-N 1 0 325.408 3.017 20 10 EGCDRO Cc1cccc2oc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc21 ZINC000911668488 1318757939 /nfs/dbraw/zinc/75/79/39/1318757939.db2.gz XWTJIRBUMGBGCC-KRWDZBQOSA-N 1 0 337.423 3.237 20 10 EGCDRO Cc1cc(CN2CCN(C(=O)C3CCCCC3)CC2)ccc1N(C)C ZINC000815024790 1318870469 /nfs/dbraw/zinc/87/04/69/1318870469.db2.gz ACXSIXACQIZKGT-UHFFFAOYSA-N 1 0 343.515 3.286 20 10 EGCDRO Cc1noc(C2(C)CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815087408 1318885829 /nfs/dbraw/zinc/88/58/29/1318885829.db2.gz UARPIPVBZRTBBO-UHFFFAOYSA-N 1 0 328.460 3.306 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000858563397 1328796505 /nfs/dbraw/zinc/79/65/05/1328796505.db2.gz PVXYLNUQTBJDDW-SNVBAGLBSA-N 1 0 337.217 3.415 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c(O)c1 ZINC000815557375 1319014660 /nfs/dbraw/zinc/01/46/60/1319014660.db2.gz TWAHPLLUYDIQRQ-INIZCTEOSA-N 1 0 336.439 3.500 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c(O)c1 ZINC000815625802 1319030462 /nfs/dbraw/zinc/03/04/62/1319030462.db2.gz MQXFAEIJDAAALN-CQSZACIVSA-N 1 0 325.474 3.017 20 10 EGCDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816487398 1319165012 /nfs/dbraw/zinc/16/50/12/1319165012.db2.gz LZYYISWTQFNVGY-INIZCTEOSA-N 1 0 328.412 3.256 20 10 EGCDRO Oc1c(C[NH2+]CC2(N3CCCC3)CCOCC2)ccc2ccccc21 ZINC000816548431 1319180027 /nfs/dbraw/zinc/18/00/27/1319180027.db2.gz HOMYXUGESYNIOY-UHFFFAOYSA-N 1 0 340.467 3.280 20 10 EGCDRO Oc1c(C[N@@H+]2CCOC3(CCOCC3)CC2)ccc2ccccc21 ZINC000816570938 1319185535 /nfs/dbraw/zinc/18/55/35/1319185535.db2.gz MHFVZBRVZXEIRR-UHFFFAOYSA-N 1 0 327.424 3.317 20 10 EGCDRO [NH3+]CCN(Cc1ccc2ccccc2c1O)c1ccc([N+](=O)[O-])cc1 ZINC000816610727 1319192646 /nfs/dbraw/zinc/19/26/46/1319192646.db2.gz WBLOJZOLQPJNBG-UHFFFAOYSA-N 1 0 337.379 3.419 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000816768637 1319219709 /nfs/dbraw/zinc/21/97/09/1319219709.db2.gz ZSYWQYXYTVXESN-QFBILLFUSA-N 1 0 325.456 3.259 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000817043234 1319265266 /nfs/dbraw/zinc/26/52/66/1319265266.db2.gz DTJOBIROILUUGG-NRFANRHFSA-N 1 0 337.467 3.262 20 10 EGCDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000817363397 1319338562 /nfs/dbraw/zinc/33/85/62/1319338562.db2.gz CMPDFXHLLDQGLI-CHWSQXEVSA-N 1 0 349.427 3.063 20 10 EGCDRO CON1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000817587567 1319407209 /nfs/dbraw/zinc/40/72/09/1319407209.db2.gz YXLZDGRPTRSJDQ-HNNXBMFYSA-N 1 0 335.467 3.492 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[NH+]1CCC(C)CC1 ZINC000915215515 1319445854 /nfs/dbraw/zinc/44/58/54/1319445854.db2.gz UMMBTNLIRYDVMA-UHFFFAOYSA-N 1 0 331.504 3.222 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cccnc2)ccc1N1CCCCC1 ZINC000915229081 1319449321 /nfs/dbraw/zinc/44/93/21/1319449321.db2.gz PZPRUZWWDNDDDQ-UHFFFAOYSA-N 1 0 340.427 3.312 20 10 EGCDRO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938886 1319467009 /nfs/dbraw/zinc/46/70/09/1319467009.db2.gz VASHOIXSYWCZJE-LEWJYISDSA-N 1 0 339.483 3.428 20 10 EGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000817940241 1319468186 /nfs/dbraw/zinc/46/81/86/1319468186.db2.gz DYLZPUIWQJIDOP-LIRRHRJNSA-N 1 0 344.478 3.308 20 10 EGCDRO Cc1c([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940772 1319469117 /nfs/dbraw/zinc/46/91/17/1319469117.db2.gz HSQJJYZOLPSFDT-IFXJQAMLSA-N 1 0 343.519 3.363 20 10 EGCDRO Cc1nc2c(s1)[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)CCC2 ZINC000817940650 1319469246 /nfs/dbraw/zinc/46/92/46/1319469246.db2.gz GKCFSBJEYCTBAJ-JKSUJKDBSA-N 1 0 330.501 3.185 20 10 EGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817956036 1319476762 /nfs/dbraw/zinc/47/67/62/1319476762.db2.gz OHYMKLDCYZRIRP-HNNXBMFYSA-N 1 0 343.446 3.138 20 10 EGCDRO COC(=O)c1ccc(O)c([C@H](C)NCC[NH2+]C2CCCCCC2)c1 ZINC000817960823 1319478583 /nfs/dbraw/zinc/47/85/83/1319478583.db2.gz RFCBJAXZZKSWIK-AWEZNQCLSA-N 1 0 334.460 3.142 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(Br)c(F)cc1[O-] ZINC000817970302 1319480767 /nfs/dbraw/zinc/48/07/67/1319480767.db2.gz QXZHSVLEXKBKLV-LPEHRKFASA-N 1 0 331.229 3.214 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000817970845 1319480960 /nfs/dbraw/zinc/48/09/60/1319480960.db2.gz FZRBBJGATWOOQZ-YWVKMMECSA-N 1 0 331.229 3.085 20 10 EGCDRO COC[C@]1(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CCC[NH2+]1 ZINC000817974190 1319482329 /nfs/dbraw/zinc/48/23/29/1319482329.db2.gz JCGGCTABIWYECL-OXQOHEQNSA-N 1 0 349.494 3.235 20 10 EGCDRO COCC1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC[NH2+]CC1 ZINC000817973713 1319482959 /nfs/dbraw/zinc/48/29/59/1319482959.db2.gz GVHQLJACOABVMK-NSHDSACASA-N 1 0 347.286 3.366 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000817984433 1319485703 /nfs/dbraw/zinc/48/57/03/1319485703.db2.gz YCLFPQLYDXTKAP-KSSFIOAISA-N 1 0 342.439 3.310 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000817993486 1319486533 /nfs/dbraw/zinc/48/65/33/1319486533.db2.gz JMJXKWAKRWTUOS-LJQANCHMSA-N 1 0 339.483 3.437 20 10 EGCDRO C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000817984642 1319487088 /nfs/dbraw/zinc/48/70/88/1319487088.db2.gz WOCGMYVLQRWYRJ-SECBINFHSA-N 1 0 331.229 3.087 20 10 EGCDRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953060 1319587478 /nfs/dbraw/zinc/58/74/78/1319587478.db2.gz ASMHEKIFAZFBIR-HXUWFJFHSA-N 1 0 340.467 3.125 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000818964083 1319594137 /nfs/dbraw/zinc/59/41/37/1319594137.db2.gz KHJWTFITBXHTLG-LJQANCHMSA-N 1 0 328.481 3.063 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC3(O)CCC(C)CC3)CC2)cc1 ZINC000819002917 1319612232 /nfs/dbraw/zinc/61/22/32/1319612232.db2.gz PGTIGQVSRZNTHN-UHFFFAOYSA-N 1 0 332.488 3.195 20 10 EGCDRO CC(C)[N@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccc(N(C)C)cc1 ZINC000917074567 1319748276 /nfs/dbraw/zinc/74/82/76/1319748276.db2.gz AHJOYFLXJUCCOS-KRWDZBQOSA-N 1 0 331.504 3.364 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C(C)(C)C3CC3)C2)cc1C ZINC000962208245 1319860284 /nfs/dbraw/zinc/86/02/84/1319860284.db2.gz MLWKHIDFFIJPNH-UHFFFAOYSA-N 1 0 344.499 3.424 20 10 EGCDRO c1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000822497399 1320089383 /nfs/dbraw/zinc/08/93/83/1320089383.db2.gz CDTPGDZZFKIXEJ-IBGZPJMESA-N 1 0 325.460 3.106 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H](C)O1 ZINC000823955098 1320217917 /nfs/dbraw/zinc/21/79/17/1320217917.db2.gz HGZHJYYWOUGPBN-OEUWWYETSA-N 1 0 340.414 3.412 20 10 EGCDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000824085949 1320227642 /nfs/dbraw/zinc/22/76/42/1320227642.db2.gz REYGDHXKQKVRQM-SJORKVTESA-N 1 0 329.488 3.057 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CSc3ccccc32)cc1OC ZINC000824484034 1320261248 /nfs/dbraw/zinc/26/12/48/1320261248.db2.gz YNVKHDBJIVMQJD-CYBMUJFWSA-N 1 0 331.437 3.389 20 10 EGCDRO COc1ccc(O)c(C[NH2+]CCOc2ccc(Cl)c(F)c2)c1 ZINC000824790082 1320285650 /nfs/dbraw/zinc/28/56/50/1320285650.db2.gz LJTUWWISLMNLNQ-UHFFFAOYSA-N 1 0 325.767 3.362 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1Cl ZINC000824949542 1320299753 /nfs/dbraw/zinc/29/97/53/1320299753.db2.gz MPTWPPKZNUYJQR-CRAIPNDOSA-N 1 0 349.862 3.176 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1O ZINC000825103011 1320310323 /nfs/dbraw/zinc/31/03/23/1320310323.db2.gz AVOSCTVNPVKTGZ-HUUCEWRRSA-N 1 0 325.836 3.444 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c1O ZINC000825117453 1320312273 /nfs/dbraw/zinc/31/22/73/1320312273.db2.gz DLLLLTDSQFWTFH-BRWVUGGUSA-N 1 0 329.444 3.184 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1Cl ZINC000825127071 1320312740 /nfs/dbraw/zinc/31/27/40/1320312740.db2.gz VIHJMTGISAJTMC-NSHDSACASA-N 1 0 336.785 3.328 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)NCc2ccccc2)cc1Cl ZINC000825130558 1320313898 /nfs/dbraw/zinc/31/38/98/1320313898.db2.gz CUDGRLWYPSYYRA-ZDUSSCGKSA-N 1 0 332.831 3.149 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2N2CCOCC2)cc1Cl ZINC000825156351 1320315758 /nfs/dbraw/zinc/31/57/58/1320315758.db2.gz UNSWVDFIBITJHJ-UHFFFAOYSA-N 1 0 346.858 3.480 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@H]2CCCO[C@@H]21 ZINC000825320997 1320327752 /nfs/dbraw/zinc/32/77/52/1320327752.db2.gz RFRLKJVELVVUMG-YUELXQCFSA-N 1 0 340.261 3.448 20 10 EGCDRO C[N@H+](Cc1cc(F)ccc1O)C1CCN(CCC(F)(F)F)CC1 ZINC000825331802 1320328596 /nfs/dbraw/zinc/32/85/96/1320328596.db2.gz NPPFCLURHBYFFE-UHFFFAOYSA-N 1 0 334.357 3.380 20 10 EGCDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CCCO)C2)ccc1N1CCCCC1 ZINC000825338669 1320329489 /nfs/dbraw/zinc/32/94/89/1320329489.db2.gz SXIZCZOOILMZHY-MRXNPFEDSA-N 1 0 347.459 3.180 20 10 EGCDRO C[NH+]1CCC(Nc2ccccc2NC(=O)C2=CC(=O)CS2)CC1 ZINC000825440278 1320338091 /nfs/dbraw/zinc/33/80/91/1320338091.db2.gz DOTJLGRGYUHPTO-UHFFFAOYSA-N 1 0 331.441 3.212 20 10 EGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000825949421 1320374175 /nfs/dbraw/zinc/37/41/75/1320374175.db2.gz UTUFYDLXPKOWEE-CQSZACIVSA-N 1 0 328.250 3.041 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1Cl ZINC000826084156 1320382600 /nfs/dbraw/zinc/38/26/00/1320382600.db2.gz VUIPJDHMBIRDOA-SUMWQHHRSA-N 1 0 335.835 3.097 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000826919846 1320414143 /nfs/dbraw/zinc/41/41/43/1320414143.db2.gz BQPDGPYDYWWAPX-HNNXBMFYSA-N 1 0 333.350 3.381 20 10 EGCDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000827113804 1320427763 /nfs/dbraw/zinc/42/77/63/1320427763.db2.gz JPRWAMQEJYCAPF-GOSISDBHSA-N 1 0 329.440 3.468 20 10 EGCDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)CC1=O ZINC000827554341 1320460080 /nfs/dbraw/zinc/46/00/80/1320460080.db2.gz CSCJOFPGUHXHFN-CQSZACIVSA-N 1 0 326.440 3.282 20 10 EGCDRO Cc1sccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144632 1320879727 /nfs/dbraw/zinc/87/97/27/1320879727.db2.gz IQMITTVTRPFBPS-UHFFFAOYSA-N 1 0 338.423 3.461 20 10 EGCDRO C[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000839540801 1320934672 /nfs/dbraw/zinc/93/46/72/1320934672.db2.gz FIXRZEDSXCHOCZ-DYESRHJHSA-N 1 0 340.467 3.298 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000840758942 1321142946 /nfs/dbraw/zinc/14/29/46/1321142946.db2.gz IVCYAQVGRSDICY-CYBMUJFWSA-N 1 0 333.382 3.047 20 10 EGCDRO Fc1cc(C[NH2+][C@H](C2CC2)C2CCC2)cc(F)c1N1CCOCC1 ZINC000840758190 1321143130 /nfs/dbraw/zinc/14/31/30/1321143130.db2.gz OSMIRXXZGPHHPH-SFHVURJKSA-N 1 0 336.426 3.470 20 10 EGCDRO COC1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000840793430 1321149451 /nfs/dbraw/zinc/14/94/51/1321149451.db2.gz PKPPQTPDKCHLPP-OOHWJJMZSA-N 1 0 336.451 3.271 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c(O)c1C ZINC000840797143 1321150673 /nfs/dbraw/zinc/15/06/73/1321150673.db2.gz IOYHCARAKKZALE-NVXWUHKLSA-N 1 0 349.471 3.075 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000840811636 1321154231 /nfs/dbraw/zinc/15/42/31/1321154231.db2.gz HGHMXMYIXCADNO-QAPCUYQASA-N 1 0 328.456 3.188 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@](C)(OC)C3CC3)CC2)cc1 ZINC000840858984 1321163409 /nfs/dbraw/zinc/16/34/09/1321163409.db2.gz FQDRZDKIBWGWSF-QRWLVFNGSA-N 1 0 332.488 3.457 20 10 EGCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000840890394 1321172149 /nfs/dbraw/zinc/17/21/49/1321172149.db2.gz MHMBZBJTKFPANE-GJZGRUSLSA-N 1 0 335.467 3.380 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000840911785 1321175231 /nfs/dbraw/zinc/17/52/31/1321175231.db2.gz QYBRZRSOVOPBQL-OAQYLSRUSA-N 1 0 342.483 3.071 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000840917670 1321177189 /nfs/dbraw/zinc/17/71/89/1321177189.db2.gz WGMMLZIPYLDOMU-INIZCTEOSA-N 1 0 330.394 3.196 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000840920960 1321178169 /nfs/dbraw/zinc/17/81/69/1321178169.db2.gz QIFUYLOVVDIZQL-QGZVFWFLSA-N 1 0 339.487 3.436 20 10 EGCDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840935765 1321180676 /nfs/dbraw/zinc/18/06/76/1321180676.db2.gz CSSOLQXGJBDXGH-FQEVSTJZSA-N 1 0 328.456 3.283 20 10 EGCDRO Cc1cc(N(C)C)ccc1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000840949521 1321184528 /nfs/dbraw/zinc/18/45/28/1321184528.db2.gz ZIMUORNUFMUHPP-UHFFFAOYSA-N 1 0 326.488 3.020 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)cc1C ZINC000840960315 1321187606 /nfs/dbraw/zinc/18/76/06/1321187606.db2.gz FBLDMWUNPXUOLC-KRWDZBQOSA-N 1 0 328.412 3.219 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1OC ZINC000840969749 1321190312 /nfs/dbraw/zinc/19/03/12/1321190312.db2.gz MHBJBRHUQXTELR-SFHVURJKSA-N 1 0 335.444 3.046 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000840975796 1321192039 /nfs/dbraw/zinc/19/20/39/1321192039.db2.gz LSNUQPSOLQZDGK-HNNXBMFYSA-N 1 0 337.471 3.064 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC000840978774 1321193342 /nfs/dbraw/zinc/19/33/42/1321193342.db2.gz SAQIODJDVMNDDO-IBGZPJMESA-N 1 0 332.444 3.368 20 10 EGCDRO Cc1nn(-c2ccccc2)cc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041525 1321207336 /nfs/dbraw/zinc/20/73/36/1321207336.db2.gz CVUGBSGOYOSXSV-OAQYLSRUSA-N 1 0 349.482 3.036 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000841041963 1321207525 /nfs/dbraw/zinc/20/75/25/1321207525.db2.gz GKYKENWSKFILFP-QGZVFWFLSA-N 1 0 348.834 3.104 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C/C=C\c2ccc(F)cc2F)cc1 ZINC000841046225 1321209392 /nfs/dbraw/zinc/20/93/92/1321209392.db2.gz YBWVVYOLIOSPSH-ZRHASKPBSA-N 1 0 331.410 3.334 20 10 EGCDRO [NH3+]C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000841086825 1321215813 /nfs/dbraw/zinc/21/58/13/1321215813.db2.gz MVVHNBUWTFZQAX-KRWDZBQOSA-N 1 0 346.475 3.192 20 10 EGCDRO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000841309918 1321252514 /nfs/dbraw/zinc/25/25/14/1321252514.db2.gz BICIQADFPCEQMS-ZDUSSCGKSA-N 1 0 343.427 3.393 20 10 EGCDRO O=C(NCCCSc1nccs1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000841332726 1321258309 /nfs/dbraw/zinc/25/83/09/1321258309.db2.gz ULQRGRMKTDXFGU-UHFFFAOYSA-N 1 0 334.470 3.050 20 10 EGCDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(Cl)cc1O ZINC000841745019 1321305241 /nfs/dbraw/zinc/30/52/41/1321305241.db2.gz TVWBEUIDYWZKIC-GFCCVEGCSA-N 1 0 334.851 3.257 20 10 EGCDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743418 1321305766 /nfs/dbraw/zinc/30/57/66/1321305766.db2.gz GDURXGHFQUEDIY-ZFWWWQNUSA-N 1 0 326.868 3.053 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744632 1321305817 /nfs/dbraw/zinc/30/58/17/1321305817.db2.gz JJBXMLVRDKRKRU-ZDUSSCGKSA-N 1 0 332.831 3.435 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(Cl)cc1O ZINC000841749480 1321306883 /nfs/dbraw/zinc/30/68/83/1321306883.db2.gz FHDXUXAIRVFHSD-CYBMUJFWSA-N 1 0 332.831 3.055 20 10 EGCDRO O=C(NCCC[NH2+]C1CC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841918408 1321329351 /nfs/dbraw/zinc/32/93/51/1321329351.db2.gz JRSLJLKJJQSRMU-UHFFFAOYSA-N 1 0 345.487 3.379 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000841946715 1321330918 /nfs/dbraw/zinc/33/09/18/1321330918.db2.gz BPCJXXTYGGYUAL-GOSISDBHSA-N 1 0 341.455 3.404 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842013168 1321334840 /nfs/dbraw/zinc/33/48/40/1321334840.db2.gz FWEOEEFFQGZREO-RYQLBKOJSA-N 1 0 345.487 3.092 20 10 EGCDRO CC(C)Cn1nccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000842674434 1321416865 /nfs/dbraw/zinc/41/68/65/1321416865.db2.gz OLTJVEPHJFROHZ-KRWDZBQOSA-N 1 0 342.487 3.227 20 10 EGCDRO [O-]c1c(Br)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843045026 1321460472 /nfs/dbraw/zinc/46/04/72/1321460472.db2.gz GKGNAOVFHKUHFV-OAHLLOKOSA-N 1 0 339.277 3.119 20 10 EGCDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052885 1321461757 /nfs/dbraw/zinc/46/17/57/1321461757.db2.gz XOYDWZLCIFUOSM-DOTOQJQBSA-N 1 0 346.475 3.144 20 10 EGCDRO CC[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000843051350 1321462421 /nfs/dbraw/zinc/46/24/21/1321462421.db2.gz WXBRFPSZADHZOR-WBMJQRKESA-N 1 0 329.410 3.331 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055793 1321462919 /nfs/dbraw/zinc/46/29/19/1321462919.db2.gz PUQKXUZUVVNTOQ-LJQANCHMSA-N 1 0 338.451 3.298 20 10 EGCDRO COc1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC000843057131 1321464093 /nfs/dbraw/zinc/46/40/93/1321464093.db2.gz CQVHRPHTBGLFAJ-UHFFFAOYSA-N 1 0 327.384 3.015 20 10 EGCDRO O=C(CN1CCC[NH2+]CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000843345040 1321502950 /nfs/dbraw/zinc/50/29/50/1321502950.db2.gz NLHNZJQKEHIQOB-UHFFFAOYSA-N 1 0 337.427 3.336 20 10 EGCDRO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349546 1321503774 /nfs/dbraw/zinc/50/37/74/1321503774.db2.gz CUBDTIUUJYAYLA-CYBMUJFWSA-N 1 0 334.423 3.308 20 10 EGCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nc(C(C)(C)[NH3+])no1 ZINC000843390265 1321510258 /nfs/dbraw/zinc/51/02/58/1321510258.db2.gz QLLPGBXEYZORBJ-CQSZACIVSA-N 1 0 344.459 3.107 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000843488245 1321522356 /nfs/dbraw/zinc/52/23/56/1321522356.db2.gz UZYBWYIJGRIRFR-ZVBHREPYSA-N 1 0 343.515 3.255 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000845988782 1321761465 /nfs/dbraw/zinc/76/14/65/1321761465.db2.gz BAWSBOOYZQNFKR-ZIAGYGMSSA-N 1 0 333.453 3.250 20 10 EGCDRO CSc1cccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846061966 1321765877 /nfs/dbraw/zinc/76/58/77/1321765877.db2.gz YHPAPLFDVZRUNT-UHFFFAOYSA-N 1 0 328.485 3.167 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846112135 1321768974 /nfs/dbraw/zinc/76/89/74/1321768974.db2.gz XIDZUWZHIXRDNR-HXUWFJFHSA-N 1 0 327.424 3.080 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)c1O ZINC000846137334 1321770140 /nfs/dbraw/zinc/77/01/40/1321770140.db2.gz NVKIKVYZTNROJK-GFCCVEGCSA-N 1 0 347.411 3.277 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1O ZINC000846146505 1321771473 /nfs/dbraw/zinc/77/14/73/1321771473.db2.gz SBRPMUBCEFCGRB-HNNXBMFYSA-N 1 0 342.439 3.088 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)c1O ZINC000846150163 1321771836 /nfs/dbraw/zinc/77/18/36/1321771836.db2.gz APLOCDAFWSORCC-CYBMUJFWSA-N 1 0 346.402 3.011 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)c1O ZINC000846153634 1321771869 /nfs/dbraw/zinc/77/18/69/1321771869.db2.gz ZKOOZIBHMGVGAG-GFCCVEGCSA-N 1 0 343.402 3.320 20 10 EGCDRO COc1cccc([C@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1O ZINC000846159920 1321773362 /nfs/dbraw/zinc/77/33/62/1321773362.db2.gz NSADHCWQFBGGRC-HNNXBMFYSA-N 1 0 341.455 3.326 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1O ZINC000846174817 1321774547 /nfs/dbraw/zinc/77/45/47/1321774547.db2.gz ZGUZZSOLAHZBAN-ZLOXQWCVSA-N 1 0 333.453 3.130 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000846215263 1321776828 /nfs/dbraw/zinc/77/68/28/1321776828.db2.gz WRVQRINLDXPWJX-SFHVURJKSA-N 1 0 336.439 3.001 20 10 EGCDRO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000846474574 1321788022 /nfs/dbraw/zinc/78/80/22/1321788022.db2.gz VJOWGEXOHJQLCL-MRXNPFEDSA-N 1 0 336.863 3.459 20 10 EGCDRO Cc1cc(C(=O)N(C)CC[NH+]2CCCCC2)c(C)n1-c1ccccn1 ZINC000846612216 1321795830 /nfs/dbraw/zinc/79/58/30/1321795830.db2.gz LHPCXJGGZHWYOS-UHFFFAOYSA-N 1 0 340.471 3.047 20 10 EGCDRO CNC(=O)CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846842242 1321816003 /nfs/dbraw/zinc/81/60/03/1321816003.db2.gz RQGXULWIOCAWLM-INIZCTEOSA-N 1 0 326.440 3.482 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000848565872 1321977012 /nfs/dbraw/zinc/97/70/12/1321977012.db2.gz NLQPGRQCCBIXJK-HNNXBMFYSA-N 1 0 337.460 3.494 20 10 EGCDRO COC(=O)CC1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000918733228 1321986944 /nfs/dbraw/zinc/98/69/44/1321986944.db2.gz POXMPJUZUCWXLX-UHFFFAOYSA-N 1 0 343.423 3.329 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@]2(COC)OCCc3ccccc32)c1O ZINC000848912355 1322043389 /nfs/dbraw/zinc/04/33/89/1322043389.db2.gz FSBMEXSQCAXQNQ-OAQYLSRUSA-N 1 0 341.451 3.159 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)N2CCCCC2)cc1 ZINC000920206538 1322149756 /nfs/dbraw/zinc/14/97/56/1322149756.db2.gz MWSICBZCNHCVMC-UHFFFAOYSA-N 1 0 331.504 3.367 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3nccn3C(C)C)CC2)cc1 ZINC000850116092 1322194147 /nfs/dbraw/zinc/19/41/47/1322194147.db2.gz LZDKFJSNNGVSGE-UHFFFAOYSA-N 1 0 328.460 3.231 20 10 EGCDRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850159679 1322201031 /nfs/dbraw/zinc/20/10/31/1322201031.db2.gz JNJXPOUTTWJHSW-LJQANCHMSA-N 1 0 333.428 3.289 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)ccc1OC ZINC000850355147 1322231640 /nfs/dbraw/zinc/23/16/40/1322231640.db2.gz GYXJLCREBYSMGL-SAHWJRBASA-N 1 0 339.501 3.011 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(C(C)(C)C)C3)CC2)cc1 ZINC000850351323 1322232326 /nfs/dbraw/zinc/23/23/26/1322232326.db2.gz MROXYEJHJJNNKD-KRWDZBQOSA-N 1 0 331.504 3.126 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)ccc1OC ZINC000850355144 1322232478 /nfs/dbraw/zinc/23/24/78/1322232478.db2.gz GYXJLCREBYSMGL-DGGJZMOXSA-N 1 0 339.501 3.011 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCc4ccccc4C3)cc2)CC1 ZINC000850406240 1322240821 /nfs/dbraw/zinc/24/08/21/1322240821.db2.gz YGQVKEXQHSLQGT-FQEVSTJZSA-N 1 0 336.479 3.295 20 10 EGCDRO COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3O)CC2=O)cc1 ZINC000850516255 1322259422 /nfs/dbraw/zinc/25/94/22/1322259422.db2.gz UBXWWNOEYASKKE-GJZGRUSLSA-N 1 0 340.423 3.165 20 10 EGCDRO CCn1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)nn1 ZINC000850522349 1322260491 /nfs/dbraw/zinc/26/04/91/1322260491.db2.gz OXEKVYWNYOCQRM-LJQANCHMSA-N 1 0 336.439 3.467 20 10 EGCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccccc1O ZINC000850532709 1322261493 /nfs/dbraw/zinc/26/14/93/1322261493.db2.gz XATPBMCFDDTNNR-OAHLLOKOSA-N 1 0 325.474 3.180 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c(O)c1 ZINC000850531496 1322261961 /nfs/dbraw/zinc/26/19/61/1322261961.db2.gz KCRXEKBZJJNWJA-HNNXBMFYSA-N 1 0 339.501 3.407 20 10 EGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850567359 1322269163 /nfs/dbraw/zinc/26/91/63/1322269163.db2.gz AQDACQPOYNIDGI-CYBMUJFWSA-N 1 0 331.485 3.263 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850567433 1322269773 /nfs/dbraw/zinc/26/97/73/1322269773.db2.gz BYJXHSPUZQOQHZ-NRFANRHFSA-N 1 0 340.467 3.125 20 10 EGCDRO c1cc(CN2CCC([NH2+]Cc3ccc4c(c3)CCCO4)CC2)ccn1 ZINC000921560339 1322352321 /nfs/dbraw/zinc/35/23/21/1322352321.db2.gz SANLFWOHRAGTSH-UHFFFAOYSA-N 1 0 337.467 3.161 20 10 EGCDRO Cn1c(CC[NH2+]Cc2ccc3c(c2)CCCO3)nc2cc(F)ccc21 ZINC000921758310 1322394133 /nfs/dbraw/zinc/39/41/33/1322394133.db2.gz CVVBJZKSBKTTOG-UHFFFAOYSA-N 1 0 339.414 3.370 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000852790993 1323243497 /nfs/dbraw/zinc/24/34/97/1323243497.db2.gz WRSGJBFPRJCORC-GOSISDBHSA-N 1 0 329.488 3.023 20 10 EGCDRO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025632548 1324484068 /nfs/dbraw/zinc/48/40/68/1324484068.db2.gz LVYFKKPUFZFNPZ-UKRRQHHQSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3occc3C)C2)cc1C ZINC001026684384 1324974975 /nfs/dbraw/zinc/97/49/75/1324974975.db2.gz BFNIKXAXOCGHMW-KRWDZBQOSA-N 1 0 342.439 3.157 20 10 EGCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854514424 1325271062 /nfs/dbraw/zinc/27/10/62/1325271062.db2.gz BLSOJNNEGKDKEI-HUUCEWRRSA-N 1 0 349.438 3.208 20 10 EGCDRO CCOc1cncc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000856790920 1325525836 /nfs/dbraw/zinc/52/58/36/1325525836.db2.gz OHOFPBCUKMPDKU-MRXNPFEDSA-N 1 0 341.455 3.105 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000857069957 1325567581 /nfs/dbraw/zinc/56/75/81/1325567581.db2.gz XTTFFRPMGOIFLI-HNAYVOBHSA-N 1 0 332.444 3.271 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccc(F)c3)C2)cc1C ZINC000966584586 1328348785 /nfs/dbraw/zinc/34/87/85/1328348785.db2.gz TZOPUZHDEYCAAX-GOSISDBHSA-N 1 0 342.414 3.147 20 10 EGCDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@@H]1CCCC[C@@H]1O ZINC000862300121 1329474455 /nfs/dbraw/zinc/47/44/55/1329474455.db2.gz KQHULCWIGMNZHQ-FZMZJTMJSA-N 1 0 328.250 3.138 20 10 EGCDRO C[C@H]1CN(Cc2c(O)cccc2Br)CC2(CCC2)O1 ZINC000862399850 1329482882 /nfs/dbraw/zinc/48/28/82/1329482882.db2.gz FFHKUFHWLNTUBQ-NSHDSACASA-N 1 0 326.234 3.298 20 10 EGCDRO C[C@@H](C[N@H+](C)Cc1c(O)cccc1Cl)NC(=O)OC(C)(C)C ZINC000862541482 1329494816 /nfs/dbraw/zinc/49/48/16/1329494816.db2.gz REBYANBRMVJLGX-NSHDSACASA-N 1 0 328.840 3.391 20 10 EGCDRO CN(c1ccc(CNC[C@H](O)C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000863551309 1329562245 /nfs/dbraw/zinc/56/22/45/1329562245.db2.gz KDAHHDJPCSAXGQ-NRFANRHFSA-N 1 0 345.531 3.002 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccccc1O)CC(F)F ZINC000865442834 1329698036 /nfs/dbraw/zinc/69/80/36/1329698036.db2.gz UNJZETUGGXKBDS-GFCCVEGCSA-N 1 0 330.375 3.030 20 10 EGCDRO COCCc1ncc(C[NH2+]CCCSc2nccs2)s1 ZINC000865468246 1329701477 /nfs/dbraw/zinc/70/14/77/1329701477.db2.gz FPULWOFZYWPELS-UHFFFAOYSA-N 1 0 329.516 3.061 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000934700366 1330000757 /nfs/dbraw/zinc/00/07/57/1330000757.db2.gz VCVGHDIWAWAIKA-GOSISDBHSA-N 1 0 342.439 3.387 20 10 EGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(S(C)(=O)=O)cc1 ZINC000866535456 1330123300 /nfs/dbraw/zinc/12/33/00/1330123300.db2.gz DPDLFAHZOFDVSJ-CXAGYDPISA-N 1 0 345.464 3.176 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1 ZINC000866640069 1330137055 /nfs/dbraw/zinc/13/70/55/1330137055.db2.gz BJOKIJSDMJDPCL-GFCCVEGCSA-N 1 0 328.412 3.231 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3c(C)coc3C)C2)cc1C ZINC000968565210 1335961622 /nfs/dbraw/zinc/96/16/22/1335961622.db2.gz XJPVBWYDMSWSKI-QGZVFWFLSA-N 1 0 342.439 3.218 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccc(C)c3)C2)cc1C ZINC001018456486 1339627277 /nfs/dbraw/zinc/62/72/77/1339627277.db2.gz LQIGZQVPFMMSGL-IBGZPJMESA-N 1 0 338.451 3.316 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)cc1C ZINC001034854169 1342805501 /nfs/dbraw/zinc/80/55/01/1342805501.db2.gz QREGOGBDYDWLFS-IEBWSBKVSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCC2CC2)cc1C ZINC001034886222 1342821718 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COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C2CCC2)C3)cc1C ZINC001094832809 1361919997 /nfs/dbraw/zinc/91/99/97/1361919997.db2.gz IBARLYUEJKGWOZ-UHOSZYNNSA-N 1 0 342.483 3.273 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3(CF)CCC3)C2)cc1C ZINC001100689754 1364219503 /nfs/dbraw/zinc/21/95/03/1364219503.db2.gz PNNNDSUNKSCYQJ-UHFFFAOYSA-N 1 0 348.462 3.128 20 10 EGCDRO COc1ccc([C@@H](CO)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001324757858 1387761127 /nfs/dbraw/zinc/76/11/27/1387761127.db2.gz OVHGMUKUMMSUOW-LJQANCHMSA-N 1 0 340.467 3.161 20 10 EGCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CO2 ZINC001324849252 1387791527 /nfs/dbraw/zinc/79/15/27/1387791527.db2.gz XSQUPTQBFMIAMQ-GOSISDBHSA-N 1 0 338.451 3.389 20 10 EGCDRO CC[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001201586911 1369583780 /nfs/dbraw/zinc/58/37/80/1369583780.db2.gz YQISKYAALBTWFN-HNNXBMFYSA-N 1 0 333.815 3.467 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2ccccc2O)Cc2c1cnn2CC1CC1 ZINC001203551673 1370166633 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COc1cc(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)cc(O)c1O ZINC001204346797 1370449557 /nfs/dbraw/zinc/44/95/57/1370449557.db2.gz ZJMAFJSYDZFKJR-KRWDZBQOSA-N 1 0 343.423 3.288 20 10 EGCDRO Cc1cc(CN2C[C@@H](C)CC[C@H]2C[NH3+])c(O)cc1Br ZINC001205856201 1370893751 /nfs/dbraw/zinc/89/37/51/1370893751.db2.gz SYXQWOYWMITRQI-GWCFXTLKSA-N 1 0 327.266 3.022 20 10 EGCDRO CN1CCN(c2ccc(C[N@H+](C)Cc3cccs3)cc2F)CC1 ZINC001116439777 1370911482 /nfs/dbraw/zinc/91/14/82/1370911482.db2.gz SKCVBRHDCNNLSC-UHFFFAOYSA-N 1 0 333.476 3.271 20 10 EGCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001116444703 1370913440 /nfs/dbraw/zinc/91/34/40/1370913440.db2.gz DKNIGKZHRDOMGC-WOJBJXKFSA-N 1 0 344.499 3.039 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)cc1 ZINC001116824344 1370981758 /nfs/dbraw/zinc/98/17/58/1370981758.db2.gz UDGNTLFOFRTYAB-FUHWJXTLSA-N 1 0 334.504 3.219 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3sc(C)nc3C)CC2)c(C)c1 ZINC001206192475 1370988532 /nfs/dbraw/zinc/98/85/32/1370988532.db2.gz SPPNRGCNIIQCIH-UHFFFAOYSA-N 1 0 331.485 3.399 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC001118578117 1371201570 /nfs/dbraw/zinc/20/15/70/1371201570.db2.gz PWJGJBAQYKEHQG-HNNXBMFYSA-N 1 0 335.831 3.228 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@H]3CCOC(C)(C)C3)CC2)c(C)c1 ZINC001207365362 1371375843 /nfs/dbraw/zinc/37/58/43/1371375843.db2.gz KDJHBKGXDOBVCX-KRWDZBQOSA-N 1 0 332.488 3.331 20 10 EGCDRO FC(F)(F)Oc1ccc(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)cc1 ZINC001208884908 1371932270 /nfs/dbraw/zinc/93/22/70/1371932270.db2.gz CWRKYNCFZPZMSR-INIZCTEOSA-N 1 0 342.361 3.400 20 10 EGCDRO C[N@H+]1CC=C(Nc2ccc(OCCOc3ccc(N)cc3)cc2)CC1 ZINC001208911216 1371941238 /nfs/dbraw/zinc/94/12/38/1371941238.db2.gz YRXIMLCKBUBVKD-UHFFFAOYSA-N 1 0 339.439 3.358 20 10 EGCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209517466 1372126987 /nfs/dbraw/zinc/12/69/87/1372126987.db2.gz HHGIRMDIADRCSI-GOSISDBHSA-N 1 0 326.440 3.479 20 10 EGCDRO CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001211345565 1372537180 /nfs/dbraw/zinc/53/71/80/1372537180.db2.gz KHXLSULHMZYQMU-XJKSGUPXSA-N 1 0 345.447 3.089 20 10 EGCDRO C=C/C(C)=C\CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001215351038 1373200595 /nfs/dbraw/zinc/20/05/95/1373200595.db2.gz WEYIHZGEAOVMIL-MTQPDYEDSA-N 1 0 342.483 3.463 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2c(C)cccc2C)cc1C ZINC001128405041 1373262437 /nfs/dbraw/zinc/26/24/37/1373262437.db2.gz KOVNLBLURMDXJV-UHFFFAOYSA-N 1 0 340.467 3.069 20 10 EGCDRO [NH3+][C@H](Cc1nnc(-c2ccc(-n3cccc3)cc2)o1)c1ccc(O)cc1 ZINC001217728585 1373495593 /nfs/dbraw/zinc/49/55/93/1373495593.db2.gz MZRCYRNEPAVLNP-GOSISDBHSA-N 1 0 346.390 3.475 20 10 EGCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CCC[C@@]34CC[NH2+]C4)cccc21 ZINC001218097800 1373560233 /nfs/dbraw/zinc/56/02/33/1373560233.db2.gz XZLYTLDYRFCLFN-AVRDEDQJSA-N 1 0 347.414 3.373 20 10 EGCDRO CCC[C@@H]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130566492 1373561352 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EGCDRO CC(C)[N@@H+]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C1 ZINC001227937257 1375492937 /nfs/dbraw/zinc/49/29/37/1375492937.db2.gz GXKZFECFZKVHEL-HNNXBMFYSA-N 1 0 341.407 3.190 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@H](C)c4c3c(O)ccc4C)[C@H]2C1 ZINC001327161730 1388414239 /nfs/dbraw/zinc/41/42/39/1388414239.db2.gz XIGSFMXTALKKKF-PEJOBZMASA-N 1 0 342.483 3.486 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)c4c3c(O)ccc4C)[C@H]2C1 ZINC001327161729 1388414970 /nfs/dbraw/zinc/41/49/70/1388414970.db2.gz XIGSFMXTALKKKF-NBZXXOOGSA-N 1 0 342.483 3.486 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(O)cc1O ZINC001231635384 1376286589 /nfs/dbraw/zinc/28/65/89/1376286589.db2.gz XRJQZAGCOPSRDM-UHFFFAOYSA-N 1 0 348.830 3.082 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001231844901 1376325175 /nfs/dbraw/zinc/32/51/75/1376325175.db2.gz QLLIRVJYBFTQCJ-SJLPKXTDSA-N 1 0 330.472 3.088 20 10 EGCDRO 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Oc1cc(C(F)(F)F)ccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001233451860 1376649008 /nfs/dbraw/zinc/64/90/08/1376649008.db2.gz BXCBOWLDVIGALB-UHFFFAOYSA-N 1 0 343.267 3.300 20 10 EGCDRO OCc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233451912 1376649807 /nfs/dbraw/zinc/64/98/07/1376649807.db2.gz DGKSFVMGOCCOMB-UHFFFAOYSA-N 1 0 337.341 3.462 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCC[C@@]1(C)O ZINC001233726226 1376703594 /nfs/dbraw/zinc/70/35/94/1376703594.db2.gz ATHJKXVANGCJFJ-IAQYHMDHSA-N 1 0 333.350 3.274 20 10 EGCDRO Oc1cccc(Br)c1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046584 1376843030 /nfs/dbraw/zinc/84/30/30/1376843030.db2.gz RNSHXHXIVHOUCF-INIZCTEOSA-N 1 0 339.277 3.263 20 10 EGCDRO Oc1ccc(F)c(Cl)c1CN(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001236488713 1376954809 /nfs/dbraw/zinc/95/48/09/1376954809.db2.gz OMFIIMNFODMRAM-AWEZNQCLSA-N 1 0 349.837 3.334 20 10 EGCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237053466 1376971685 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COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC12CC2 ZINC001138222449 1377691074 /nfs/dbraw/zinc/69/10/74/1377691074.db2.gz YKAMHGAWAVOYDH-GOSISDBHSA-N 1 0 328.456 3.062 20 10 EGCDRO Cc1c(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c2ccccc2n1C ZINC001138255640 1377694965 /nfs/dbraw/zinc/69/49/65/1377694965.db2.gz NVYSXBOVSJDZTG-UHFFFAOYSA-N 1 0 340.471 3.117 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138336882 1377704690 /nfs/dbraw/zinc/70/46/90/1377704690.db2.gz HJHNAOMKFDNUSN-CQSZACIVSA-N 1 0 340.389 3.475 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@]1(C)O ZINC001138337996 1377705517 /nfs/dbraw/zinc/70/55/17/1377705517.db2.gz JBRFANFRFDQZMH-BTYIYWSLSA-N 1 0 344.499 3.074 20 10 EGCDRO CO[C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)[C@H](C)C1 ZINC001138341232 1377705791 /nfs/dbraw/zinc/70/57/91/1377705791.db2.gz KKQQXMGODDDXSF-RHSMWYFYSA-N 1 0 330.472 3.090 20 10 EGCDRO CN1CCCc2cc(C[N@@H+]3CCc4ncnc(C5CC5)c4CC3)ccc21 ZINC001138357912 1377708557 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CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cc(F)ccc1O)[C@@H]2C ZINC001140054058 1377996776 /nfs/dbraw/zinc/99/67/76/1377996776.db2.gz IOVCYNACFNHWEJ-CQSZACIVSA-N 1 0 346.450 3.145 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001140098456 1378006992 /nfs/dbraw/zinc/00/69/92/1378006992.db2.gz BHXXVNGCVNJNEF-IAQYHMDHSA-N 1 0 326.234 3.156 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c1O ZINC001140182561 1378027008 /nfs/dbraw/zinc/02/70/08/1378027008.db2.gz VHKURPHJLMECRW-UHFFFAOYSA-N 1 0 330.472 3.234 20 10 EGCDRO Cc1ccc(C)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC001140180459 1378027232 /nfs/dbraw/zinc/02/72/32/1378027232.db2.gz XBQOBSGVECBXOG-UHFFFAOYSA-N 1 0 340.467 3.478 20 10 EGCDRO COc1cc(O[C@H]2CC[N@H+](Cc3c(C)ccc(C)c3O)C2)ccn1 ZINC001140185201 1378027913 /nfs/dbraw/zinc/02/79/13/1378027913.db2.gz RLRKEWNRIKTUSI-INIZCTEOSA-N 1 0 328.412 3.066 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140184543 1378028332 /nfs/dbraw/zinc/02/83/32/1378028332.db2.gz YRTOMWVHEFVEAA-SFHVURJKSA-N 1 0 327.424 3.225 20 10 EGCDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001140344741 1378050548 /nfs/dbraw/zinc/05/05/48/1378050548.db2.gz LJFARPIAMIGROR-UHFFFAOYSA-N 1 0 349.862 3.210 20 10 EGCDRO O=C1OC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)c2cnccc21 ZINC001140464624 1378068512 /nfs/dbraw/zinc/06/85/12/1378068512.db2.gz XWCOGSOEXKMWFR-UHFFFAOYSA-N 1 0 344.798 3.102 20 10 EGCDRO CC(C)=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001272618697 1378076437 /nfs/dbraw/zinc/07/64/37/1378076437.db2.gz NHLTXFFNIWWMOS-FQEVSTJZSA-N 1 0 328.456 3.315 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3)CC2)c(C)c1 ZINC001140576327 1378088300 /nfs/dbraw/zinc/08/83/00/1378088300.db2.gz RDOVHSLXQGOFOT-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001140620292 1378099639 /nfs/dbraw/zinc/09/96/39/1378099639.db2.gz JBULBFDIZAVGJX-LJQANCHMSA-N 1 0 342.464 3.391 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001140623400 1378100494 /nfs/dbraw/zinc/10/04/94/1378100494.db2.gz QHYQTABZEFHFMT-HOCLYGCPSA-N 1 0 334.460 3.436 20 10 EGCDRO C[N@H+](CCOc1ccccc1)Cc1ccc(N2CCOCC2)cc1F ZINC001140661475 1378108890 /nfs/dbraw/zinc/10/88/90/1378108890.db2.gz GFRQGSAKTSJHFO-UHFFFAOYSA-N 1 0 344.430 3.173 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001140662047 1378109034 /nfs/dbraw/zinc/10/90/34/1378109034.db2.gz CANOUTIEWDHOLC-INIZCTEOSA-N 1 0 346.368 3.232 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001140661556 1378109339 /nfs/dbraw/zinc/10/93/39/1378109339.db2.gz JGJOFGVWXZKBRR-KRWDZBQOSA-N 1 0 341.430 3.047 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)[C@H]2C)c(O)c1 ZINC001140855818 1378159601 /nfs/dbraw/zinc/15/96/01/1378159601.db2.gz LCLWKQGZCMAWJJ-RHSMWYFYSA-N 1 0 334.460 3.012 20 10 EGCDRO CN(C)c1ccc(CN2c3ccccc3C3(CC[NH+](C)CC3)C2=O)cc1 ZINC001276366595 1378173801 /nfs/dbraw/zinc/17/38/01/1378173801.db2.gz UUGVIPXZUUOUEL-UHFFFAOYSA-N 1 0 349.478 3.263 20 10 EGCDRO C[C@]1(CO)CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141075051 1378232648 /nfs/dbraw/zinc/23/26/48/1378232648.db2.gz XDHJWNLMXLHWBC-NRFANRHFSA-N 1 0 328.500 3.370 20 10 EGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076578 1378232724 /nfs/dbraw/zinc/23/27/24/1378232724.db2.gz VUZIACFYNRBXGH-BEFAXECRSA-N 1 0 342.483 3.159 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)[C@](C)(CO)C1 ZINC001141074589 1378232794 /nfs/dbraw/zinc/23/27/94/1378232794.db2.gz NFKLYCBMGIABLL-NRFANRHFSA-N 1 0 328.500 3.368 20 10 EGCDRO Oc1ccc(O)c(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c1 ZINC001141158455 1378252911 /nfs/dbraw/zinc/25/29/11/1378252911.db2.gz AEZAOQRDQJQYDP-UHFFFAOYSA-N 1 0 341.436 3.030 20 10 EGCDRO Oc1ccc(O)c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161322 1378255167 /nfs/dbraw/zinc/25/51/67/1378255167.db2.gz DRNQXJUVBAVPLP-PKOBYXMFSA-N 1 0 338.451 3.052 20 10 EGCDRO Cc1cnc(O[C@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)nc1 ZINC001143116490 1378543234 /nfs/dbraw/zinc/54/32/34/1378543234.db2.gz DXWLBSFEBUEVKW-INIZCTEOSA-N 1 0 341.455 3.441 20 10 EGCDRO Cc1cnc(C)nc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155630689 1380476224 /nfs/dbraw/zinc/47/62/24/1380476224.db2.gz VRBPSFACCOFHJS-MTQWCTHYSA-N 1 0 338.499 3.493 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)CC2=CCCCC2)cc1C ZINC001155748425 1380488741 /nfs/dbraw/zinc/48/87/41/1380488741.db2.gz GOLQWDSIVREKAQ-UHFFFAOYSA-N 1 0 330.472 3.490 20 10 EGCDRO Nc1ccc(OCCOc2ccc(NC=C3CC[NH2+]CC3)cc2)cc1 ZINC001159783341 1381898972 /nfs/dbraw/zinc/89/89/72/1381898972.db2.gz JBTWJHLYCFHBDE-UHFFFAOYSA-N 1 0 339.439 3.406 20 10 EGCDRO Cc1nc(Cl)c(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167427038 1383630782 /nfs/dbraw/zinc/63/07/82/1383630782.db2.gz VAUGDBHUMGXWSQ-UHFFFAOYSA-N 1 0 345.878 3.111 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cnc4[nH]cc(F)c4c3)cc2)CC1 ZINC001167434871 1383633791 /nfs/dbraw/zinc/63/37/91/1383633791.db2.gz XFDCJZHAFZWMEA-UHFFFAOYSA-N 1 0 339.418 3.066 20 10 EGCDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)c3cccnc3c1[O-])C2 ZINC001169099800 1384107500 /nfs/dbraw/zinc/10/75/00/1384107500.db2.gz VXMUYYKFJBUQHL-BTTYYORXSA-N 1 0 331.847 3.309 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC001328924708 1388902949 /nfs/dbraw/zinc/90/29/49/1388902949.db2.gz ZTKWXENQVIXEMV-XHDPSFHLSA-N 1 0 326.234 3.202 20 10 EGCDRO C[NH+](C)Cc1ccc(NCc2cc(Br)ccc2O)nc1 ZINC001171173918 1384460698 /nfs/dbraw/zinc/46/06/98/1384460698.db2.gz CPRXVQRVQGRBMM-UHFFFAOYSA-N 1 0 336.233 3.223 20 10 EGCDRO Cc1cccc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001172810929 1384857417 /nfs/dbraw/zinc/85/74/17/1384857417.db2.gz URKMWWBFGVTKRD-ALOPSCKCSA-N 1 0 344.455 3.497 20 10 EGCDRO CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001176797003 1385703748 /nfs/dbraw/zinc/70/37/48/1385703748.db2.gz SJHCKHCDNFYOJT-ZDUSSCGKSA-N 1 0 333.436 3.137 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(N2CCCC2)CCOCC1 ZINC001320410734 1386602634 /nfs/dbraw/zinc/60/26/34/1386602634.db2.gz GHKBJOKAEFXRQO-IAGOWNOFSA-N 1 0 344.499 3.484 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N)cc3)C[C@@H]2C1 ZINC001336284638 1389058920 /nfs/dbraw/zinc/05/89/20/1389058920.db2.gz BFVURQSZCKBDTG-JZXOWHBKSA-N 1 0 345.487 3.394 20 10 EGCDRO Nc1ccc(C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC001336286211 1389059911 /nfs/dbraw/zinc/05/99/11/1389059911.db2.gz PAPRIUDKWFLFEE-UHFFFAOYSA-N 1 0 331.410 3.301 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1O ZINC001329511447 1389136669 /nfs/dbraw/zinc/13/66/69/1389136669.db2.gz FSYFIMVZAJCQCB-OCCSQVGLSA-N 1 0 334.851 3.017 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1O ZINC001329511443 1389136693 /nfs/dbraw/zinc/13/66/93/1389136693.db2.gz FSYFIMVZAJCQCB-GXTWGEPZSA-N 1 0 334.851 3.017 20 10 EGCDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc(N2CCCC2)cc1 ZINC001329834569 1389233698 /nfs/dbraw/zinc/23/36/98/1389233698.db2.gz NILJJYJTTXCNLG-UHFFFAOYSA-N 1 0 327.472 3.444 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC001338077418 1389536152 /nfs/dbraw/zinc/53/61/52/1389536152.db2.gz UIZCEPGGBALINX-HNNXBMFYSA-N 1 0 344.499 3.489 20 10 EGCDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001331706677 1389858278 /nfs/dbraw/zinc/85/82/78/1389858278.db2.gz IDCVUPOYRUUJKV-PKOBYXMFSA-N 1 0 334.529 3.364 20 10 EGCDRO CC(C)(C)OC(=O)NOCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001334334753 1390518963 /nfs/dbraw/zinc/51/89/63/1390518963.db2.gz FKUYEFCNLJUFRO-UHFFFAOYSA-N 1 0 349.475 3.223 20 10 EGCDRO C[N@H+](Cc1ccc(N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001335285863 1390666602 /nfs/dbraw/zinc/66/66/02/1390666602.db2.gz STGLFFQBJZCFFY-KRWDZBQOSA-N 1 0 329.831 3.160 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(O)c1OC ZINC001342959704 1390677889 /nfs/dbraw/zinc/67/78/89/1390677889.db2.gz IDDXNFLCVHBVEQ-GFCCVEGCSA-N 1 0 346.383 3.477 20 10 EGCDRO COc1ccc(C[NH2+]CCCOCc2ccccc2)c(O)c1OC ZINC001335434520 1390684241 /nfs/dbraw/zinc/68/42/41/1390684241.db2.gz XNIRNAGJFFRUKH-UHFFFAOYSA-N 1 0 331.412 3.106 20 10 EGCDRO COc1ccc(CN2CC(C)(C)[C@@H]2c2ccncc2)c(O)c1OC ZINC001335544639 1390701369 /nfs/dbraw/zinc/70/13/69/1390701369.db2.gz ZHBJRESQSLTYJY-SFHVURJKSA-N 1 0 328.412 3.388 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC001345143876 1390841097 /nfs/dbraw/zinc/84/10/97/1390841097.db2.gz ZAZZMNVWHNIBEY-LSDHHAIUSA-N 1 0 333.472 3.406 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC001350317524 1391446472 /nfs/dbraw/zinc/44/64/72/1391446472.db2.gz XEJYQSZXMKPPGL-LBPRGKRZSA-N 1 0 329.400 3.051 20 10 EGCDRO COc1cccc2cc(C[NH2+]Cc3ccc(OC)c(OC)c3O)oc21 ZINC001351974591 1391733327 /nfs/dbraw/zinc/73/33/27/1391733327.db2.gz APCXBGNXBXHKNC-UHFFFAOYSA-N 1 0 343.379 3.454 20 10 EGCDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(N)cc3)CC2)cc1 ZINC001352789539 1391849811 /nfs/dbraw/zinc/84/98/11/1391849811.db2.gz XLXMBPZWCYAKGF-UHFFFAOYSA-N 1 0 337.467 3.106 20 10 EGCDRO CC[C@H](CNC(=O)[C@]1(C)C=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753481982 1440416838 /nfs/dbraw/zinc/41/68/38/1440416838.db2.gz AJFCLRDKWZVSET-YLJYHZDGSA-N 1 0 330.472 3.344 20 10 EGCDRO CC[C@@H](CNC(=O)C1(CF)CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753485854 1440417694 /nfs/dbraw/zinc/41/76/94/1440417694.db2.gz DCSMMXZSXRQPIA-INIZCTEOSA-N 1 0 336.451 3.128 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)/C=C\C(C)(C)C)cc1C ZINC001753608194 1440448433 /nfs/dbraw/zinc/44/84/33/1440448433.db2.gz ZNUQPLYGTWTKHO-FJVVXJACSA-N 1 0 332.488 3.448 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(F)=C2CCCC2)cc1C ZINC001754264253 1440560395 /nfs/dbraw/zinc/56/03/95/1440560395.db2.gz NSPRCFQSKCQWAM-AWEZNQCLSA-N 1 0 334.435 3.396 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CCCF)C2)cc1C ZINC001754797767 1440689937 /nfs/dbraw/zinc/68/99/37/1440689937.db2.gz SWYWTVAMILIJFO-NVXWUHKLSA-N 1 0 336.451 3.080 20 10 EGCDRO CCCC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001754945273 1440712714 /nfs/dbraw/zinc/71/27/14/1440712714.db2.gz VADGGJJGEBDBTM-CQSZACIVSA-N 1 0 345.447 3.091 20 10 EGCDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)CCC(C)(C)C ZINC001755327452 1440822585 /nfs/dbraw/zinc/82/25/85/1440822585.db2.gz DOLMVWXNXJMFPA-CYBMUJFWSA-N 1 0 347.463 3.335 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2ccns2)cc1C ZINC001755500597 1440862557 /nfs/dbraw/zinc/86/25/57/1440862557.db2.gz LQIGVBZNDBELOE-AWEZNQCLSA-N 1 0 347.484 3.148 20 10 EGCDRO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000824261116 946636441 /nfs/dbraw/zinc/63/64/41/946636441.db2.gz ATYBUKYIVMZUCS-UHFFFAOYSA-N 1 0 337.427 3.231 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000779076630 1126109393 /nfs/dbraw/zinc/10/93/93/1126109393.db2.gz DBEGUQAVGRNBQA-HOCLYGCPSA-N 1 0 343.320 3.155 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000835075622 1126111627 /nfs/dbraw/zinc/11/16/27/1126111627.db2.gz ZHOAHNAZVPUAIU-KRWDZBQOSA-N 1 0 349.858 3.364 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000766489254 1126108991 /nfs/dbraw/zinc/10/89/91/1126108991.db2.gz OZPCFHSJHFMGHY-LJQANCHMSA-N 1 0 330.447 3.365 20 10 EGCDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000865716172 1126115469 /nfs/dbraw/zinc/11/54/69/1126115469.db2.gz NGPSHNOBHDHNHC-FQEVSTJZSA-N 1 0 329.440 3.101 20 10 EGCDRO CC[N@H+](Cc1ccnc(N)c1)Cc1cc(Br)ccc1O ZINC000193365276 455755325 /nfs/dbraw/zinc/75/53/25/455755325.db2.gz WMNQKVQKOXDYGC-UHFFFAOYSA-N 1 0 336.233 3.154 20 10 EGCDRO CCOC[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157741970 455226871 /nfs/dbraw/zinc/22/68/71/455226871.db2.gz XNLJVGSHFPNBGW-ZDUSSCGKSA-N 1 0 328.403 3.271 20 10 EGCDRO c1ncn(CC2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000189976556 455263951 /nfs/dbraw/zinc/26/39/51/455263951.db2.gz LPXPQZBTJPFAQS-UHFFFAOYSA-N 1 0 339.487 3.181 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1O ZINC000183429300 455291123 /nfs/dbraw/zinc/29/11/23/455291123.db2.gz BGZOAQBSESEBEK-INIZCTEOSA-N 1 0 326.440 3.075 20 10 EGCDRO CC[C@H]([NH2+]CCCOCCOC)c1cc(Br)ccc1O ZINC000020192262 453662704 /nfs/dbraw/zinc/66/27/04/453662704.db2.gz YTCBLEANIDLISB-AWEZNQCLSA-N 1 0 346.265 3.249 20 10 EGCDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000070976088 454191405 /nfs/dbraw/zinc/19/14/05/454191405.db2.gz MJPFLMBBXCJVGC-GOSISDBHSA-N 1 0 342.395 3.482 20 10 EGCDRO COCC[N@H+](Cc1ccco1)Cc1cc(Cl)cc(OC)c1O ZINC000184681021 455427317 /nfs/dbraw/zinc/42/73/17/455427317.db2.gz VVESJVPAOHFMRJ-UHFFFAOYSA-N 1 0 325.792 3.296 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000130685039 454212887 /nfs/dbraw/zinc/21/28/87/454212887.db2.gz YZTXIDLUIIQOJB-OAQYLSRUSA-N 1 0 340.467 3.296 20 10 EGCDRO CC[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000121087442 454388971 /nfs/dbraw/zinc/38/89/71/454388971.db2.gz JEHDDAJEWMJMSI-KRWDZBQOSA-N 1 0 333.453 3.297 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000092038386 454506356 /nfs/dbraw/zinc/50/63/56/454506356.db2.gz KWHXOTBEJSOJGT-ICSRJNTNSA-N 1 0 327.424 3.025 20 10 EGCDRO CCOc1cccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1O ZINC000093387738 454710320 /nfs/dbraw/zinc/71/03/20/454710320.db2.gz OZKVFQJFJSYQSF-GOSISDBHSA-N 1 0 327.424 3.273 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccco1 ZINC000111399559 454863619 /nfs/dbraw/zinc/86/36/19/454863619.db2.gz WLROJHUVMAWJSK-INIZCTEOSA-N 1 0 341.455 3.064 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(F)ccc1O ZINC000184979978 455480744 /nfs/dbraw/zinc/48/07/44/455480744.db2.gz JJLSPMVHZCDNDV-LBPRGKRZSA-N 1 0 332.375 3.080 20 10 EGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000126340807 454886970 /nfs/dbraw/zinc/88/69/70/454886970.db2.gz YEFWIQGQVGBMNR-SJLPKXTDSA-N 1 0 329.488 3.338 20 10 EGCDRO C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]([NH3+])c1ccccc1 ZINC000166475355 454912600 /nfs/dbraw/zinc/91/26/00/454912600.db2.gz JZSURTAPMDFROE-MGPUTAFESA-N 1 0 337.467 3.021 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000177875254 454915731 /nfs/dbraw/zinc/91/57/31/454915731.db2.gz KAFNXQGTSJGUDV-QFBILLFUSA-N 1 0 329.488 3.386 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000167742608 454922767 /nfs/dbraw/zinc/92/27/67/454922767.db2.gz GIZLIYVNVJEQQN-ALOPSCKCSA-N 1 0 347.478 3.209 20 10 EGCDRO COc1cccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000127134833 454940454 /nfs/dbraw/zinc/94/04/54/454940454.db2.gz RLOHYUDMLBVNIO-CQSZACIVSA-N 1 0 338.411 3.175 20 10 EGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000154990747 454951381 /nfs/dbraw/zinc/95/13/81/454951381.db2.gz NUVDNNYADVXNRJ-RDTXWAMCSA-N 1 0 338.467 3.374 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000178580489 454962607 /nfs/dbraw/zinc/96/26/07/454962607.db2.gz PMPKCSNYHBJHPG-QGZVFWFLSA-N 1 0 325.456 3.132 20 10 EGCDRO CC[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccccc1O ZINC000155243360 454979541 /nfs/dbraw/zinc/97/95/41/454979541.db2.gz LSDPXTHKLTWOMH-GOSISDBHSA-N 1 0 347.480 3.438 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c1 ZINC000185093807 455500115 /nfs/dbraw/zinc/50/01/15/455500115.db2.gz KXCPVASZTVBMPB-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cncc(F)c1 ZINC000151585700 455004618 /nfs/dbraw/zinc/00/46/18/455004618.db2.gz MSJNBOFXZBOBAK-OAHLLOKOSA-N 1 0 343.446 3.280 20 10 EGCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCC1 ZINC000151670942 455015476 /nfs/dbraw/zinc/01/54/76/455015476.db2.gz FXNDVTXWJJXLBU-FUHWJXTLSA-N 1 0 349.494 3.187 20 10 EGCDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc2ccccc2c1O ZINC000185116196 455503926 /nfs/dbraw/zinc/50/39/26/455503926.db2.gz ZAIDCJYISOGYEJ-HNNXBMFYSA-N 1 0 328.456 3.043 20 10 EGCDRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179559979 455057665 /nfs/dbraw/zinc/05/76/65/455057665.db2.gz AFGWIPFKTYHIAN-UHFFFAOYSA-N 1 0 345.830 3.291 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1O ZINC000179618365 455061899 /nfs/dbraw/zinc/06/18/99/455061899.db2.gz UPTRMYDYMPCSIN-UHFFFAOYSA-N 1 0 340.423 3.257 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1O ZINC000179848666 455088191 /nfs/dbraw/zinc/08/81/91/455088191.db2.gz KCVJADHAJMRLPJ-UHFFFAOYSA-N 1 0 345.487 3.297 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152341043 455104806 /nfs/dbraw/zinc/10/48/06/455104806.db2.gz FYFREXWTQSJQAF-GJZGRUSLSA-N 1 0 329.419 3.469 20 10 EGCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(C)c3O)CC2)c(C)o1 ZINC000180026821 455118414 /nfs/dbraw/zinc/11/84/14/455118414.db2.gz UEHDNCMMRBSDCN-UHFFFAOYSA-N 1 0 342.439 3.305 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1O ZINC000156736414 455147311 /nfs/dbraw/zinc/14/73/11/455147311.db2.gz GTTBCYCLGRTVPJ-GOSISDBHSA-N 1 0 335.831 3.442 20 10 EGCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000189406440 455191047 /nfs/dbraw/zinc/19/10/47/455191047.db2.gz KOFAPPPSYVXMAU-CABCVRRESA-N 1 0 335.467 3.333 20 10 EGCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000182929585 455193136 /nfs/dbraw/zinc/19/31/36/455193136.db2.gz BDTCETTXGQCPGJ-QGZVFWFLSA-N 1 0 327.424 3.176 20 10 EGCDRO O=C1CCCN1Cc1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000264956853 455297875 /nfs/dbraw/zinc/29/78/75/455297875.db2.gz MOUXOURPFSZASX-UHFFFAOYSA-N 1 0 344.842 3.458 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(C)CCCC[C@@H]3O)CC2)cc1 ZINC000159198826 455360304 /nfs/dbraw/zinc/36/03/04/455360304.db2.gz XMNAIUHDZUGRNG-VQTJNVASSA-N 1 0 332.488 3.195 20 10 EGCDRO CCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265871609 455396357 /nfs/dbraw/zinc/39/63/57/455396357.db2.gz JLBDJFCURLTNRX-MORSLUCNSA-N 1 0 333.428 3.146 20 10 EGCDRO COc1ccc(CCC[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000159920125 455415475 /nfs/dbraw/zinc/41/54/75/455415475.db2.gz YFQCJFNIFMUDPL-UHFFFAOYSA-N 1 0 345.439 3.483 20 10 EGCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)cc1 ZINC000160064690 455425559 /nfs/dbraw/zinc/42/55/59/455425559.db2.gz UOWWPAPRPWZWGJ-OAHLLOKOSA-N 1 0 343.423 3.408 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1OC ZINC000160406524 455455112 /nfs/dbraw/zinc/45/51/12/455455112.db2.gz HHPKOXCSRZIJFC-FQEVSTJZSA-N 1 0 343.423 3.157 20 10 EGCDRO C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc2ccccc2c1O ZINC000185367075 455549242 /nfs/dbraw/zinc/54/92/42/455549242.db2.gz OIHXJXBHAJNYFY-QGZVFWFLSA-N 1 0 341.499 3.224 20 10 EGCDRO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(Br)cc1O ZINC000185705436 455600947 /nfs/dbraw/zinc/60/09/47/455600947.db2.gz RKSJWKWKAZEEIM-YPMHNXCESA-N 1 0 344.249 3.001 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c(O)c1 ZINC000283912914 455610115 /nfs/dbraw/zinc/61/01/15/455610115.db2.gz DJQVUDSLKRIXMA-QGZVFWFLSA-N 1 0 332.488 3.305 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000284260709 455659532 /nfs/dbraw/zinc/65/95/32/455659532.db2.gz GILBPSLISCLDMO-KUHUBIRLSA-N 1 0 344.455 3.363 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cn[nH]c1 ZINC000284295361 455664024 /nfs/dbraw/zinc/66/40/24/455664024.db2.gz YGEPEEDFEMTCCD-HZSPNIEDSA-N 1 0 332.423 3.013 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 ZINC000186081630 455689679 /nfs/dbraw/zinc/68/96/79/455689679.db2.gz HTQGJYYFPNTRHE-QWQRMKEZSA-N 1 0 340.423 3.245 20 10 EGCDRO COc1cc(NCC[NH2+][C@@H](C)c2cc(C)ccc2O)cc(OC)c1 ZINC000186154817 455705120 /nfs/dbraw/zinc/70/51/20/455705120.db2.gz GNSIETRRNBJLGF-AWEZNQCLSA-N 1 0 330.428 3.481 20 10 EGCDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268871115 455717049 /nfs/dbraw/zinc/71/70/49/455717049.db2.gz GDYHBZPAHYFPCM-INIZCTEOSA-N 1 0 329.488 3.373 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000192927714 455719477 /nfs/dbraw/zinc/71/94/77/455719477.db2.gz LACXBASGZNGSNO-AWEZNQCLSA-N 1 0 340.423 3.378 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000186303414 455738275 /nfs/dbraw/zinc/73/82/75/455738275.db2.gz SCEPVJKHWRBXMG-HKUYNNGSSA-N 1 0 338.451 3.482 20 10 EGCDRO C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000269005327 455759606 /nfs/dbraw/zinc/75/96/06/455759606.db2.gz QGAWFXHVEGTVKM-HNNXBMFYSA-N 1 0 338.467 3.112 20 10 EGCDRO Cc1cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)ccc1N(C)C ZINC000293790300 455797425 /nfs/dbraw/zinc/79/74/25/455797425.db2.gz MLLSSPNUONLDES-UHFFFAOYSA-N 1 0 343.515 3.286 20 10 EGCDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293782811 455797573 /nfs/dbraw/zinc/79/75/73/455797573.db2.gz QFXILZCRCIVKTQ-HNNXBMFYSA-N 1 0 342.439 3.098 20 10 EGCDRO Cc1nnsc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000293780523 455797582 /nfs/dbraw/zinc/79/75/82/455797582.db2.gz TWXLEXPMQAZLAH-ZETCQYMHSA-N 1 0 328.235 3.165 20 10 EGCDRO COC1(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000293841637 455798094 /nfs/dbraw/zinc/79/80/94/455798094.db2.gz XUBIKVFKGWHGMA-OAHLLOKOSA-N 1 0 336.451 3.272 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCn2cc(Br)cn2)c(O)c1 ZINC000294267712 455809778 /nfs/dbraw/zinc/80/97/78/455809778.db2.gz LQRGSBKAJXIIFS-LBPRGKRZSA-N 1 0 338.249 3.319 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)ccc1OC ZINC000278540002 455838585 /nfs/dbraw/zinc/83/85/85/455838585.db2.gz XEGMJNRORZLKOF-LJQANCHMSA-N 1 0 329.440 3.363 20 10 EGCDRO Cc1nccnc1CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000295114459 455838520 /nfs/dbraw/zinc/83/85/20/455838520.db2.gz XTRAUFJEJWRZHB-JTQLQIEISA-N 1 0 336.233 3.146 20 10 EGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295269103 455844159 /nfs/dbraw/zinc/84/41/59/455844159.db2.gz YZTQVSACQPVLOB-OAQYLSRUSA-N 1 0 346.515 3.286 20 10 EGCDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000272112588 455850212 /nfs/dbraw/zinc/85/02/12/455850212.db2.gz XZCZJQLVJAQAAL-ZMZPIMSZSA-N 1 0 333.359 3.126 20 10 EGCDRO CC[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(C)cc1O ZINC000280050296 455881592 /nfs/dbraw/zinc/88/15/92/455881592.db2.gz JMNRXIYPWQJMQW-GOSISDBHSA-N 1 0 342.439 3.267 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@H](C[NH+](C)C)C2)c(C(F)(F)F)c1 ZINC000280093071 455889519 /nfs/dbraw/zinc/88/95/19/455889519.db2.gz AXSDTSCPZTUZKY-CYBMUJFWSA-N 1 0 329.410 3.155 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(C)cc1O ZINC000285822141 455922489 /nfs/dbraw/zinc/92/24/89/455922489.db2.gz XFFWWTJIDFQBTM-ZBFHGGJFSA-N 1 0 346.393 3.004 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1OC ZINC000272422512 455946256 /nfs/dbraw/zinc/94/62/56/455946256.db2.gz FAKLTGKJXLFUJY-HNNXBMFYSA-N 1 0 343.423 3.310 20 10 EGCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CCCCC3)cc1)C[C@@H](C)O2 ZINC000280453222 455975216 /nfs/dbraw/zinc/97/52/16/455975216.db2.gz LMMOZNLFXGVPHY-LQWHRVPQSA-N 1 0 344.499 3.445 20 10 EGCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccn(C)c3)cc2F)C[C@H](C)O1 ZINC000270623849 455998680 /nfs/dbraw/zinc/99/86/80/455998680.db2.gz KQGPVVPZZJCFEY-GJZGRUSLSA-N 1 0 331.435 3.068 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000286854933 456056270 /nfs/dbraw/zinc/05/62/70/456056270.db2.gz ASFTVFYNIREUMM-FZKQIMNGSA-N 1 0 332.419 3.493 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000296870479 456057029 /nfs/dbraw/zinc/05/70/29/456057029.db2.gz ABMSDDQCBLQMQN-QGZVFWFLSA-N 1 0 325.456 3.213 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1 ZINC000287264919 456065411 /nfs/dbraw/zinc/06/54/11/456065411.db2.gz IQZUJKXAKYIHIX-CVEARBPZSA-N 1 0 342.439 3.362 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccccc1O ZINC000287449210 456069197 /nfs/dbraw/zinc/06/91/97/456069197.db2.gz UXVKWGJJBGMOLB-MAUKXSAKSA-N 1 0 342.439 3.443 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000288643858 456101208 /nfs/dbraw/zinc/10/12/08/456101208.db2.gz ATHDOSVWCWZABG-NRFANRHFSA-N 1 0 342.458 3.319 20 10 EGCDRO COc1ccsc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000271043866 456109001 /nfs/dbraw/zinc/10/90/01/456109001.db2.gz PRAVTMCOMXLHEI-UHFFFAOYSA-N 1 0 332.469 3.225 20 10 EGCDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271055342 456114373 /nfs/dbraw/zinc/11/43/73/456114373.db2.gz ACJURLBSIAYDKW-KYNGSXCRSA-N 1 0 349.471 3.435 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1O ZINC000289186293 456117812 /nfs/dbraw/zinc/11/78/12/456117812.db2.gz AOYPJTNGXFZGMZ-NEPJUHHUSA-N 1 0 328.250 3.225 20 10 EGCDRO CCCOc1ccc(C[N@H+](CCOC)Cc2cccnc2)c(O)c1 ZINC000289504562 456127333 /nfs/dbraw/zinc/12/73/33/456127333.db2.gz TZIXYZZKOZNAGU-UHFFFAOYSA-N 1 0 330.428 3.225 20 10 EGCDRO COc1ccc(N2CC[NH+](CC[C@H](O)c3ccccc3)CC2)cc1F ZINC000289824477 456145562 /nfs/dbraw/zinc/14/55/62/456145562.db2.gz AHSFOLGKRYQNCF-IBGZPJMESA-N 1 0 344.430 3.080 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000271191898 456163520 /nfs/dbraw/zinc/16/35/20/456163520.db2.gz MVENUDWBZJCMBL-UHFFFAOYSA-N 1 0 343.515 3.414 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000271221207 456180855 /nfs/dbraw/zinc/18/08/55/456180855.db2.gz KDRVCMRKSAZCNZ-QGZVFWFLSA-N 1 0 349.272 3.338 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000263669665 456188259 /nfs/dbraw/zinc/18/82/59/456188259.db2.gz JLFZQQIAEROYHX-UHFFFAOYSA-N 1 0 327.428 3.076 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccsc1 ZINC000236825800 456189020 /nfs/dbraw/zinc/18/90/20/456189020.db2.gz UGHQUBUOHCKNAR-KRWDZBQOSA-N 1 0 331.485 3.072 20 10 EGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000273166456 456198088 /nfs/dbraw/zinc/19/80/88/456198088.db2.gz DCJFVTRRNZJWJB-WBVHZDCISA-N 1 0 348.487 3.067 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289967781 456198759 /nfs/dbraw/zinc/19/87/59/456198759.db2.gz VXFJPAHZTIDYCU-QUCCMNQESA-N 1 0 327.424 3.047 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncc(F)cn2)C1 ZINC000301764050 456209300 /nfs/dbraw/zinc/20/93/00/456209300.db2.gz HEKCIROYZPASOS-AWEZNQCLSA-N 1 0 336.798 3.051 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c(O)c1C ZINC000273435001 456230375 /nfs/dbraw/zinc/23/03/75/456230375.db2.gz WRXGRQHHBTWEJH-MRXNPFEDSA-N 1 0 341.455 3.091 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)c(O)c1C ZINC000273450755 456232130 /nfs/dbraw/zinc/23/21/30/456232130.db2.gz GAFPOANBFNXQCU-INIZCTEOSA-N 1 0 326.440 3.019 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297486797 456233313 /nfs/dbraw/zinc/23/33/13/456233313.db2.gz LRAGKCHMCRZXTB-UHFFFAOYSA-N 1 0 345.487 3.331 20 10 EGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C2 ZINC000273477746 456233568 /nfs/dbraw/zinc/23/35/68/456233568.db2.gz LCRXLNRGDXXNBJ-GXTWGEPZSA-N 1 0 329.396 3.064 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1O ZINC000273489440 456235205 /nfs/dbraw/zinc/23/52/05/456235205.db2.gz OAUOLOSIMRZBPI-GUYCJALGSA-N 1 0 344.842 3.497 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OC)nc2OC)cc1 ZINC000290111771 456243835 /nfs/dbraw/zinc/24/38/35/456243835.db2.gz IRCFTICHVUHPQX-AWEZNQCLSA-N 1 0 329.444 3.406 20 10 EGCDRO CC1(C(=O)NCc2ccccc2O)CC[NH+](Cc2ccccc2)CC1 ZINC000274955463 456268461 /nfs/dbraw/zinc/26/84/61/456268461.db2.gz QPIUHGBSZBNAKJ-UHFFFAOYSA-N 1 0 338.451 3.311 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1 ZINC000275657651 456278865 /nfs/dbraw/zinc/27/88/65/456278865.db2.gz USRZOWJSGZDKBE-VQTJNVASSA-N 1 0 342.487 3.276 20 10 EGCDRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)ccc1O ZINC000282328083 456477932 /nfs/dbraw/zinc/47/79/32/456477932.db2.gz NYIZBNSBLWUQOX-CWTRNNRKSA-N 1 0 346.290 3.107 20 10 EGCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)Cc2ccccc2O)C1 ZINC000298678192 456515201 /nfs/dbraw/zinc/51/52/01/456515201.db2.gz QHSQWVADLCQRNT-IRXDYDNUSA-N 1 0 347.503 3.292 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276925955 456621465 /nfs/dbraw/zinc/62/14/65/456621465.db2.gz NIKUEQFRFDCGSC-KBXCAEBGSA-N 1 0 346.471 3.375 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)NCCCC[NH+](C)C)c2C)cc1 ZINC000299510090 456714417 /nfs/dbraw/zinc/71/44/17/456714417.db2.gz SBYRPZGTOXJTES-UHFFFAOYSA-N 1 0 343.471 3.174 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c(O)c1C ZINC000277221249 456730386 /nfs/dbraw/zinc/73/03/86/456730386.db2.gz XQZXGGIPMIEOQI-OAHLLOKOSA-N 1 0 326.444 3.119 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000283587003 456808577 /nfs/dbraw/zinc/80/85/77/456808577.db2.gz KBUNBJNRLSBROD-MRXNPFEDSA-N 1 0 345.487 3.354 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000349211553 456913986 /nfs/dbraw/zinc/91/39/86/456913986.db2.gz GTGLKFOQBJJPHI-UHFFFAOYSA-N 1 0 342.487 3.162 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc2ccccc2c1O ZINC000363868541 457458932 /nfs/dbraw/zinc/45/89/32/457458932.db2.gz NVDIFPZFXPRYAK-HOCLYGCPSA-N 1 0 336.439 3.208 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217167 457801310 /nfs/dbraw/zinc/80/13/10/457801310.db2.gz DSFUMCUDNPSHFM-WMQCIHAUSA-N 1 0 343.515 3.191 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000369100811 458082540 /nfs/dbraw/zinc/08/25/40/458082540.db2.gz QDWJJXLYXGFCFJ-FOIQADDNSA-N 1 0 327.424 3.315 20 10 EGCDRO Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)OCO2 ZINC000362389244 458146649 /nfs/dbraw/zinc/14/66/49/458146649.db2.gz NBVJNSOGBDQUTE-OXJNMPFZSA-N 1 0 341.407 3.209 20 10 EGCDRO COc1cc(O)c(C[NH2+]C2CC(OCc3ccccc3)C2)cc1OC ZINC000376367291 458279363 /nfs/dbraw/zinc/27/93/63/458279363.db2.gz KLLBVCHODJHQJZ-UHFFFAOYSA-N 1 0 343.423 3.247 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1 ZINC000369695233 458318498 /nfs/dbraw/zinc/31/84/98/458318498.db2.gz QAQVBYRRWGGCNX-UHFFFAOYSA-N 1 0 329.415 3.409 20 10 EGCDRO 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/nfs/dbraw/zinc/25/31/20/1294253120.db2.gz ORABNCKEBCKSDY-HOTGVXAUSA-N 1 0 348.487 3.226 20 10 EGCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163636403 1294336600 /nfs/dbraw/zinc/33/66/00/1294336600.db2.gz LHTRXRPFTPDKEL-SFHVURJKSA-N 1 0 342.512 3.141 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000164337385 1294347863 /nfs/dbraw/zinc/34/78/63/1294347863.db2.gz VCBRYMFXNVDNAU-UHFFFAOYSA-N 1 0 345.874 3.375 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000164465852 1294349342 /nfs/dbraw/zinc/34/93/42/1294349342.db2.gz PUCSCBSDDNJZJR-SFHVURJKSA-N 1 0 349.471 3.259 20 10 EGCDRO COCCOC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000173397925 1294460991 /nfs/dbraw/zinc/46/09/91/1294460991.db2.gz BVYNJDWPXNZXFT-OAHLLOKOSA-N 1 0 345.439 3.039 20 10 EGCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000178900612 1294762058 /nfs/dbraw/zinc/76/20/58/1294762058.db2.gz JVETUXYHAQIMJZ-LJQANCHMSA-N 1 0 335.444 3.083 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000180869569 1294920912 /nfs/dbraw/zinc/92/09/12/1294920912.db2.gz MQESNNHSKFPYJN-UHFFFAOYSA-N 1 0 330.281 3.114 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC2CCCCCCC2)c1 ZINC000182441945 1295047183 /nfs/dbraw/zinc/04/71/83/1295047183.db2.gz PKGNCAINAMLLHU-CQSZACIVSA-N 1 0 334.460 3.281 20 10 EGCDRO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000187792796 1295416243 /nfs/dbraw/zinc/41/62/43/1295416243.db2.gz PRUBTCVNJBVBLJ-HNNXBMFYSA-N 1 0 328.485 3.189 20 10 EGCDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000190046536 1295558099 /nfs/dbraw/zinc/55/80/99/1295558099.db2.gz PQWUNGCYRIPYHB-MSOLQXFVSA-N 1 0 349.544 3.023 20 10 EGCDRO CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)Cc1ccc(N(C)C)cc1 ZINC000215628900 1296117385 /nfs/dbraw/zinc/11/73/85/1296117385.db2.gz HUHIBDHXDJELBC-UHFFFAOYSA-N 1 0 330.428 3.463 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000236911082 1296211524 /nfs/dbraw/zinc/21/15/24/1296211524.db2.gz 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C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000324218179 1297208167 /nfs/dbraw/zinc/20/81/67/1297208167.db2.gz RDBIMHSYTSGOFR-HNNXBMFYSA-N 1 0 326.440 3.417 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2COc3ccc(C)cc32)cc1Cn1cccn1 ZINC000873076809 1297261336 /nfs/dbraw/zinc/26/13/36/1297261336.db2.gz BINJLNNQNNCEBZ-IBGZPJMESA-N 1 0 349.434 3.472 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)cc1Cn1cccn1 ZINC000873132555 1297288293 /nfs/dbraw/zinc/28/82/93/1297288293.db2.gz XIGZIHAPKOUPRY-YWZLYKJASA-N 1 0 343.471 3.233 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)cc1Cn1cccn1 ZINC000873132553 1297289331 /nfs/dbraw/zinc/28/93/31/1297289331.db2.gz XIGZIHAPKOUPRY-MGPUTAFESA-N 1 0 343.471 3.233 20 10 EGCDRO CCCOc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1C ZINC000873138996 1297293947 /nfs/dbraw/zinc/29/39/47/1297293947.db2.gz QQOHFHOMLOHKSX-IBGZPJMESA-N 1 0 332.488 3.127 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1C ZINC000873150458 1297301932 /nfs/dbraw/zinc/30/19/32/1297301932.db2.gz KOKKGKJSVVTMCL-OAHLLOKOSA-N 1 0 342.365 3.269 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1[O-] ZINC000873290648 1297412750 /nfs/dbraw/zinc/41/27/50/1297412750.db2.gz BBSVMMUYWGTECN-CZUORRHYSA-N 1 0 338.879 3.245 20 10 EGCDRO CC[C@H]([NH2+]CCN1CC=CCC1)c1cc(Br)ccc1O ZINC000392322239 1297655006 /nfs/dbraw/zinc/65/50/06/1297655006.db2.gz VVLJYGSXNMDKFY-HNNXBMFYSA-N 1 0 339.277 3.457 20 10 EGCDRO C[N@H+](Cc1cccc(Br)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394155047 1297675595 /nfs/dbraw/zinc/67/55/95/1297675595.db2.gz LRUCZUVWIWDCDT-PBWFPOADSA-N 1 0 339.277 3.212 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000394668898 1297678872 /nfs/dbraw/zinc/67/88/72/1297678872.db2.gz WAHVKFKNVWMJIZ-INIZCTEOSA-N 1 0 336.863 3.308 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1C ZINC000686275119 1298116427 /nfs/dbraw/zinc/11/64/27/1298116427.db2.gz GPPWDQYQEKDSJU-AWEZNQCLSA-N 1 0 334.460 3.349 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(OC)CC1)c1cc(Br)ccc1O ZINC000692132749 1298140975 /nfs/dbraw/zinc/14/09/75/1298140975.db2.gz DCKVMDUZADEISO-AWEZNQCLSA-N 1 0 343.265 3.221 20 10 EGCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)C12CCC2 ZINC000713471339 1298271532 /nfs/dbraw/zinc/27/15/32/1298271532.db2.gz TXKJMYGQFOGALO-KBPBESRZSA-N 1 0 326.234 3.202 20 10 EGCDRO COc1ccc(C[NH2+]C2CCN(c3ccccc3OC)CC2)c(O)c1 ZINC000725850261 1298376985 /nfs/dbraw/zinc/37/69/85/1298376985.db2.gz VILJBAISRMVAMK-UHFFFAOYSA-N 1 0 342.439 3.168 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)cc2)CC1 ZINC000876514209 1298801381 /nfs/dbraw/zinc/80/13/81/1298801381.db2.gz UTATXGFVJWNXRV-HXUWFJFHSA-N 1 0 325.456 3.313 20 10 EGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000876551657 1298821070 /nfs/dbraw/zinc/82/10/70/1298821070.db2.gz WZDLGMNFYOWTGD-UHFFFAOYSA-N 1 0 326.440 3.169 20 10 EGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C)cc1O ZINC000876689046 1298921120 /nfs/dbraw/zinc/92/11/20/1298921120.db2.gz RTKJAPRYSRQWAX-UHFFFAOYSA-N 1 0 326.440 3.425 20 10 EGCDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000876689838 1298924419 /nfs/dbraw/zinc/92/44/19/1298924419.db2.gz CFIGUPAXQMNPLN-OAHLLOKOSA-N 1 0 334.460 3.389 20 10 EGCDRO Cc1cccc(O)c1CNc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000876817579 1299011587 /nfs/dbraw/zinc/01/15/87/1299011587.db2.gz BJZQVIRRWNGHOZ-UHFFFAOYSA-N 1 0 325.456 3.373 20 10 EGCDRO Cc1cccc(OCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876884661 1299050319 /nfs/dbraw/zinc/05/03/19/1299050319.db2.gz RJCPFZQLVKETKZ-UHFFFAOYSA-N 1 0 340.467 3.125 20 10 EGCDRO Cc1ccccc1OCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876956988 1299088806 /nfs/dbraw/zinc/08/88/06/1299088806.db2.gz PWTFCNNWHYQAHD-UHFFFAOYSA-N 1 0 340.467 3.125 20 10 EGCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000876966000 1299092487 /nfs/dbraw/zinc/09/24/87/1299092487.db2.gz OKZGKBHYNFOPCS-OAHLLOKOSA-N 1 0 343.298 3.179 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nccs1 ZINC000877053673 1299134671 /nfs/dbraw/zinc/13/46/71/1299134671.db2.gz VVWHPEDNPDXDSZ-QGZVFWFLSA-N 1 0 331.485 3.345 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1SCCc3ccccc31)OCO2 ZINC000749300173 1299188530 /nfs/dbraw/zinc/18/85/30/1299188530.db2.gz XFPZISDCPYOHRM-SFHVURJKSA-N 1 0 329.421 3.241 20 10 EGCDRO Cc1cnc([C@H](C)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000877340016 1299252152 /nfs/dbraw/zinc/25/21/52/1299252152.db2.gz FFHLUWFLLUQFCD-CQSZACIVSA-N 1 0 345.512 3.306 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c(O)c1 ZINC000877436302 1299297774 /nfs/dbraw/zinc/29/77/74/1299297774.db2.gz QPYKNGQDLYIQFU-UHFFFAOYSA-N 1 0 333.378 3.462 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(O)c1 ZINC000877521866 1299363947 /nfs/dbraw/zinc/36/39/47/1299363947.db2.gz JFOVEODUISSYKS-CQSZACIVSA-N 1 0 344.377 3.124 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000877537604 1299378304 /nfs/dbraw/zinc/37/83/04/1299378304.db2.gz NDMFLCGKOILGGP-HXUWFJFHSA-N 1 0 329.415 3.267 20 10 EGCDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877566810 1299403767 /nfs/dbraw/zinc/40/37/67/1299403767.db2.gz PWDTYJBMHHFBCY-RTWAWAEBSA-N 1 0 348.531 3.026 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000877576282 1299410838 /nfs/dbraw/zinc/41/08/38/1299410838.db2.gz IEXZRNYTYXCXOG-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000877592479 1299420009 /nfs/dbraw/zinc/42/00/09/1299420009.db2.gz PRJLJNIWHNAMMJ-LZLYRXPVSA-N 1 0 331.504 3.029 20 10 EGCDRO Cc1ccc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c(O)c1O ZINC000751538638 1299565024 /nfs/dbraw/zinc/56/50/24/1299565024.db2.gz TZPSPNLCHWSYOS-AWEZNQCLSA-N 1 0 342.439 3.265 20 10 EGCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752088511 1299692715 /nfs/dbraw/zinc/69/27/15/1299692715.db2.gz LFDTVBLIRWGVMY-HZPDHXFCSA-N 1 0 342.439 3.387 20 10 EGCDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000753659509 1300001035 /nfs/dbraw/zinc/00/10/35/1300001035.db2.gz UBPYILQSZLKTPK-CQSZACIVSA-N 1 0 341.407 3.024 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCO1 ZINC000753663983 1300001729 /nfs/dbraw/zinc/00/17/29/1300001729.db2.gz NZDFWLYCVXZDNV-JJRVBVJISA-N 1 0 340.414 3.414 20 10 EGCDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756365724 1300476957 /nfs/dbraw/zinc/47/69/57/1300476957.db2.gz CKTFFZUYTLJVDM-ZACQAIPSSA-N 1 0 346.515 3.421 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)c2c1c(F)ccc2O ZINC000756393728 1300482550 /nfs/dbraw/zinc/48/25/50/1300482550.db2.gz UGRRJOVDSTYEOC-QMTHXVAHSA-N 1 0 329.375 3.360 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)c2c1c(F)ccc2O ZINC000756398679 1300484530 /nfs/dbraw/zinc/48/45/30/1300484530.db2.gz XPTHYFZEXYJWTD-JSGCOSHPSA-N 1 0 344.434 3.230 20 10 EGCDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)N1CCOCC1 ZINC000756398469 1300484632 /nfs/dbraw/zinc/48/46/32/1300484632.db2.gz HVGGBGUNVXBNTP-LPHOPBHVSA-N 1 0 334.504 3.488 20 10 EGCDRO C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cc(F)ccc1O ZINC000756455387 1300496227 /nfs/dbraw/zinc/49/62/27/1300496227.db2.gz SFNAWHKIGFGCDA-GUYCJALGSA-N 1 0 330.403 3.402 20 10 EGCDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)ccc1OCCO ZINC000756455213 1300496334 /nfs/dbraw/zinc/49/63/34/1300496334.db2.gz BOBXIQZDAOXHNN-GJZGRUSLSA-N 1 0 345.439 3.492 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2c1c(F)ccc2O ZINC000756503803 1300508988 /nfs/dbraw/zinc/50/89/88/1300508988.db2.gz PWBXNOSMMCLJOX-JFGNBEQYSA-N 1 0 332.341 3.306 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(Br)cc(F)c1[O-] ZINC000756505994 1300509120 /nfs/dbraw/zinc/50/91/20/1300509120.db2.gz ZJQGSLZVJWNXMR-VHSXEESVSA-N 1 0 333.245 3.285 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CCCCC2)c2c1c(F)ccc2O ZINC000756635827 1300537779 /nfs/dbraw/zinc/53/77/79/1300537779.db2.gz AWJINWYCKRYEGE-SWLSCSKDSA-N 1 0 334.435 3.460 20 10 EGCDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(Br)cc1O ZINC000756634603 1300537811 /nfs/dbraw/zinc/53/78/11/1300537811.db2.gz MIBLRSRRQXJITD-CKQAKLJMSA-N 1 0 328.250 3.499 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc2c(cc1O)CCCC2 ZINC000756661300 1300543789 /nfs/dbraw/zinc/54/37/89/1300543789.db2.gz QMSCMMDGBNFYHR-HUUCEWRRSA-N 1 0 329.440 3.366 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Br)cc1O ZINC000756776843 1300565111 /nfs/dbraw/zinc/56/51/11/1300565111.db2.gz SIKIFYYGAWLSGV-VXNVDRBHSA-N 1 0 342.155 3.119 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1O ZINC000879648614 1300648010 /nfs/dbraw/zinc/64/80/10/1300648010.db2.gz WHNYGUGMQAOBED-IAQYHMDHSA-N 1 0 332.350 3.127 20 10 EGCDRO CC(C)OCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000757687479 1300711125 /nfs/dbraw/zinc/71/11/25/1300711125.db2.gz PXNDZPYRSBUMLM-CQSZACIVSA-N 1 0 326.868 3.252 20 10 EGCDRO COC1CCC(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000757986649 1300767604 /nfs/dbraw/zinc/76/76/04/1300767604.db2.gz WAWSKYUUGXUFSX-UHFFFAOYSA-N 1 0 332.488 3.208 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC000758492052 1300895516 /nfs/dbraw/zinc/89/55/16/1300895516.db2.gz DSDGAUYKNBNXFK-LJQANCHMSA-N 1 0 342.508 3.408 20 10 EGCDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000759837868 1301173494 /nfs/dbraw/zinc/17/34/94/1301173494.db2.gz VCEQMLLMJJYBNA-NVXWUHKLSA-N 1 0 347.459 3.490 20 10 EGCDRO CCn1nc(C)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1C ZINC000761221094 1301423204 /nfs/dbraw/zinc/42/32/04/1301423204.db2.gz AYFGVQKCULCCJP-UHFFFAOYSA-N 1 0 330.476 3.097 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000765786777 1302327243 /nfs/dbraw/zinc/32/72/43/1302327243.db2.gz IQGCNKFAFKOLME-JKSUJKDBSA-N 1 0 330.394 3.468 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000765844360 1302338983 /nfs/dbraw/zinc/33/89/83/1302338983.db2.gz DPUBSWQBLGHNRR-UGSOOPFHSA-N 1 0 329.400 3.045 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(N2CCOCC2)cc1Cl ZINC000766120251 1302395561 /nfs/dbraw/zinc/39/55/61/1302395561.db2.gz KYSXWNBOPHJTHC-SOUVJXGZSA-N 1 0 340.895 3.234 20 10 EGCDRO CCc1nncn1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766310775 1302428861 /nfs/dbraw/zinc/42/88/61/1302428861.db2.gz UXXVSCAOVOBOFI-INIZCTEOSA-N 1 0 327.476 3.182 20 10 EGCDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768199401 1302854097 /nfs/dbraw/zinc/85/40/97/1302854097.db2.gz VWRJZEPDDWBUBW-HXUWFJFHSA-N 1 0 343.446 3.338 20 10 EGCDRO C[N@H+](Cc1[nH]nc2ccccc21)Cc1ccc(N2CCOCC2)cc1 ZINC000768208172 1302855373 /nfs/dbraw/zinc/85/53/73/1302855373.db2.gz OLWXGDFISYCIJC-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768444464 1302907796 /nfs/dbraw/zinc/90/77/96/1302907796.db2.gz BMBFEAXQLHZNCD-XLIONFOSSA-N 1 0 339.435 3.334 20 10 EGCDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768518837 1302922134 /nfs/dbraw/zinc/92/21/34/1302922134.db2.gz 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CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000770319731 1303248138 /nfs/dbraw/zinc/24/81/38/1303248138.db2.gz BAQGCRLRWSGJEZ-MAUKXSAKSA-N 1 0 331.412 3.472 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000770373572 1303256525 /nfs/dbraw/zinc/25/65/25/1303256525.db2.gz HMBCIEXJIJQAHB-LPHOPBHVSA-N 1 0 331.479 3.340 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000770387413 1303259396 /nfs/dbraw/zinc/25/93/96/1303259396.db2.gz POEYSZXDOJPFQI-CABCVRRESA-N 1 0 334.460 3.436 20 10 EGCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773007868 1303606257 /nfs/dbraw/zinc/60/62/57/1303606257.db2.gz JDVZWGUCEJLTRI-HNNXBMFYSA-N 1 0 345.466 3.321 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000773694028 1303725125 /nfs/dbraw/zinc/72/51/25/1303725125.db2.gz JHOLVUXXZFSMGG-LSDHHAIUSA-N 1 0 335.419 3.373 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000773852055 1303747159 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COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000785988364 1305487156 /nfs/dbraw/zinc/48/71/56/1305487156.db2.gz MBQFWRZYZJNZMC-QRWLVFNGSA-N 1 0 328.456 3.490 20 10 EGCDRO CCn1cc(CNCc2ccc(N(C)C3CCCCC3)cc2)nn1 ZINC000892744033 1305535251 /nfs/dbraw/zinc/53/52/51/1305535251.db2.gz ZHDOXZQKJINKNC-UHFFFAOYSA-N 1 0 327.476 3.357 20 10 EGCDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000786710427 1305618814 /nfs/dbraw/zinc/61/88/14/1305618814.db2.gz GDUORKWRKVJXAL-UHFFFAOYSA-N 1 0 334.508 3.016 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000786962219 1305666952 /nfs/dbraw/zinc/66/69/52/1305666952.db2.gz OUSZBPWNHQRSRS-NSHDSACASA-N 1 0 325.455 3.016 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)c(O)c1OC ZINC000893266624 1305794656 /nfs/dbraw/zinc/79/46/56/1305794656.db2.gz IBGLKRSJLAOZSN-AAEUAGOBSA-N 1 0 337.441 3.073 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)c(O)c1OC ZINC000893305271 1305816580 /nfs/dbraw/zinc/81/65/80/1305816580.db2.gz UDAIFCOQKVFYID-XIKOKIGWSA-N 1 0 349.402 3.414 20 10 EGCDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000788259602 1305910116 /nfs/dbraw/zinc/91/01/16/1305910116.db2.gz NKMQKMMZSWTLKY-GFCCVEGCSA-N 1 0 348.821 3.109 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c(O)c1 ZINC000788625003 1305985799 /nfs/dbraw/zinc/98/57/99/1305985799.db2.gz ITPZTIAMEZMYCJ-HUUCEWRRSA-N 1 0 329.419 3.473 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1O ZINC000894209777 1306277862 /nfs/dbraw/zinc/27/78/62/1306277862.db2.gz XAFODHPWPAPQKX-UHFFFAOYSA-N 1 0 326.440 3.381 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000894245466 1306299455 /nfs/dbraw/zinc/29/94/55/1306299455.db2.gz VAHUATKOMGZJJH-ZDUSSCGKSA-N 1 0 338.448 3.102 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)c1O ZINC000894456348 1308899967 /nfs/dbraw/zinc/89/99/67/1308899967.db2.gz OFWLKVRPSGMLCQ-OAHLLOKOSA-N 1 0 348.830 3.069 20 10 EGCDRO Cc1cc2n[nH]cc2cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790997442 1308906572 /nfs/dbraw/zinc/90/65/72/1308906572.db2.gz OVHYGIVJBMOTFK-UHFFFAOYSA-N 1 0 335.455 3.235 20 10 EGCDRO CCOc1cccc(C[N@H+](CCO)Cc2cc(C)cc(OC)c2O)c1 ZINC000894944621 1309131831 /nfs/dbraw/zinc/13/18/31/1309131831.db2.gz FFQJROMVCXPYBF-UHFFFAOYSA-N 1 0 345.439 3.102 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000792842019 1309243311 /nfs/dbraw/zinc/24/33/11/1309243311.db2.gz DCIFDPDEPADQPK-CJNGLKHVSA-N 1 0 330.394 3.364 20 10 EGCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792921935 1309261045 /nfs/dbraw/zinc/26/10/45/1309261045.db2.gz SMFSLGTUXNQFQY-LBPRGKRZSA-N 1 0 345.409 3.166 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1O ZINC000895392880 1309313700 /nfs/dbraw/zinc/31/37/00/1309313700.db2.gz UKUQMCBNERLJFM-FQEVSTJZSA-N 1 0 327.424 3.193 20 10 EGCDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000793231383 1309324321 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CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796727894 1310073710 /nfs/dbraw/zinc/07/37/10/1310073710.db2.gz JGVJTOMIKKRSCZ-RKVPGOIHSA-N 1 0 338.467 3.461 20 10 EGCDRO CSCC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000896940230 1310096124 /nfs/dbraw/zinc/09/61/24/1310096124.db2.gz BGVMYSOPJNVNOB-UHFFFAOYSA-N 1 0 334.529 3.223 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1 ZINC000897262289 1310252119 /nfs/dbraw/zinc/25/21/19/1310252119.db2.gz YFYFCQCHJJSZFY-LJQANCHMSA-N 1 0 332.488 3.039 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnc3ccccc3n2)N(C)C)cc1 ZINC000898451549 1310741605 /nfs/dbraw/zinc/74/16/05/1310741605.db2.gz ZMAPJQKGFNCZGJ-NRFANRHFSA-N 1 0 349.482 3.088 20 10 EGCDRO Cc1ccc(CCC[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898451313 1310742318 /nfs/dbraw/zinc/74/23/18/1310742318.db2.gz XFNZLLLUTPVKAE-OAQYLSRUSA-N 1 0 340.515 3.281 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cc(C)n(C)n3)CC2)cc1 ZINC000800477386 1310766914 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CCOc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000802657850 1317022951 /nfs/dbraw/zinc/02/29/51/1317022951.db2.gz AOYXJEZECLFBAH-UHFFFAOYSA-N 1 0 330.384 3.374 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(C)C3CC3)C2)cc1C ZINC001019269412 1317138652 /nfs/dbraw/zinc/13/86/52/1317138652.db2.gz RJSIEINWAIRDHI-KRWDZBQOSA-N 1 0 330.472 3.130 20 10 EGCDRO CNc1ccccc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000902165066 1317535167 /nfs/dbraw/zinc/53/51/67/1317535167.db2.gz LEHRZZYQGLWXGZ-UHFFFAOYSA-N 1 0 325.456 3.496 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccsc3C)C2)cc1C ZINC001020135591 1317557309 /nfs/dbraw/zinc/55/73/09/1317557309.db2.gz ZEYZRQUYBMUPKR-WKILWMFISA-N 1 0 344.480 3.424 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cccc(-c4cc[nH]n4)c3)cc2)CC1 ZINC000902677672 1317604539 /nfs/dbraw/zinc/60/45/39/1317604539.db2.gz IFXXHYGNAVQUOK-UHFFFAOYSA-N 1 0 347.466 3.441 20 10 EGCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000902756289 1317612501 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CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc(F)ccc1O ZINC000809735827 1317882755 /nfs/dbraw/zinc/88/27/55/1317882755.db2.gz UTEPBAFZHCIDQZ-LJQANCHMSA-N 1 0 343.446 3.413 20 10 EGCDRO COc1cccc(C[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)c1O ZINC000809740183 1317886577 /nfs/dbraw/zinc/88/65/77/1317886577.db2.gz OBGZTPBJEMOXNS-APWZRJJASA-N 1 0 340.467 3.401 20 10 EGCDRO CCOCc1cc(C[NH2+]CC[C@H](O)c2ccccc2)ccc1OC ZINC000809747336 1317888292 /nfs/dbraw/zinc/88/82/92/1317888292.db2.gz PCCJKHCQZIKNMU-IBGZPJMESA-N 1 0 329.440 3.445 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3nnc(C4CCCC4)o3)cc2)CC1 ZINC000905424983 1317958460 /nfs/dbraw/zinc/95/84/60/1317958460.db2.gz MFHAOVDFWRWVRF-UHFFFAOYSA-N 1 0 341.459 3.091 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810214983 1317977968 /nfs/dbraw/zinc/97/79/68/1317977968.db2.gz NEZJNSZGEQGONH-DZGCQCFKSA-N 1 0 347.377 3.239 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1ccc(C(F)(F)F)cc1O ZINC000810227876 1317981617 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CN(C)c1ccc(C[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000812834260 1318467334 /nfs/dbraw/zinc/46/73/34/1318467334.db2.gz BFAKPFNUKMDTAZ-SFHVURJKSA-N 1 0 347.503 3.488 20 10 EGCDRO CC[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H](C)C1 ZINC000910285490 1318598243 /nfs/dbraw/zinc/59/82/43/1318598243.db2.gz AOIWPHZGIHMOBV-MRXNPFEDSA-N 1 0 340.471 3.045 20 10 EGCDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858485378 1328776572 /nfs/dbraw/zinc/77/65/72/1328776572.db2.gz MGGBAOASLBNEST-RDJZCZTQSA-N 1 0 338.467 3.110 20 10 EGCDRO Cc1cccc2oc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc21 ZINC000911668489 1318757999 /nfs/dbraw/zinc/75/79/99/1318757999.db2.gz XWTJIRBUMGBGCC-QGZVFWFLSA-N 1 0 337.423 3.237 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(Cl)cc1O ZINC000858536130 1328790377 /nfs/dbraw/zinc/79/03/77/1328790377.db2.gz FQHOVXVHHMKBHQ-VMDBXTETSA-N 1 0 334.803 3.327 20 10 EGCDRO Cc1cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)ccc1N(C)C ZINC000815062613 1318879368 /nfs/dbraw/zinc/87/93/68/1318879368.db2.gz XGJGJBMNITYKAJ-INIZCTEOSA-N 1 0 330.394 3.196 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2F)C[C@H](C)O1 ZINC000815561647 1319015671 /nfs/dbraw/zinc/01/56/71/1319015671.db2.gz LHNSFHHHRORYRN-QWQRMKEZSA-N 1 0 336.451 3.096 20 10 EGCDRO CCN(CC)C(=O)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816485767 1319164596 /nfs/dbraw/zinc/16/45/96/1319164596.db2.gz ZHWACPOMSZMJOS-UHFFFAOYSA-N 1 0 341.455 3.125 20 10 EGCDRO Oc1c(C[NH+]2CCN(Cc3cscn3)CC2)ccc2ccccc21 ZINC000816495668 1319166276 /nfs/dbraw/zinc/16/62/76/1319166276.db2.gz FQCZMJOQKLBWEF-UHFFFAOYSA-N 1 0 339.464 3.320 20 10 EGCDRO CCC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1ccccc1O ZINC000816499754 1319167910 /nfs/dbraw/zinc/16/79/10/1319167910.db2.gz ZFKOGIMWTGJGQL-UHFFFAOYSA-N 1 0 326.396 3.249 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(F)CCCCC3)C2)cc1C ZINC001022930735 1319175554 /nfs/dbraw/zinc/17/55/54/1319175554.db2.gz MAIHDTPDZNMMIS-CALCHBBNSA-N 1 0 348.462 3.413 20 10 EGCDRO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816556418 1319181436 /nfs/dbraw/zinc/18/14/36/1319181436.db2.gz IPINBSFSWRTHSU-SFHVURJKSA-N 1 0 338.451 3.426 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)c1ccc(N(C)C)cc1 ZINC000816574093 1319187447 /nfs/dbraw/zinc/18/74/47/1319187447.db2.gz WVJOPQKFBVYZFC-CYBMUJFWSA-N 1 0 325.412 3.048 20 10 EGCDRO Oc1c(C[NH2+]CCn2cc(Br)cn2)ccc2ccccc12 ZINC000816608828 1319193774 /nfs/dbraw/zinc/19/37/74/1319193774.db2.gz KSXOXAFWQGXYLK-UHFFFAOYSA-N 1 0 346.228 3.294 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c(O)c1 ZINC000816637433 1319198689 /nfs/dbraw/zinc/19/86/89/1319198689.db2.gz DGHAXNSDDPUCJN-GOSISDBHSA-N 1 0 330.428 3.035 20 10 EGCDRO CN(C)C(=O)OC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000816655009 1319201812 /nfs/dbraw/zinc/20/18/12/1319201812.db2.gz LURGFWBDNMGXHO-UHFFFAOYSA-N 1 0 328.412 3.208 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccc(Cl)cc3)C1)OCO2 ZINC000816659671 1319203143 /nfs/dbraw/zinc/20/31/43/1319203143.db2.gz WNMGWYVPKTUHAX-OAHLLOKOSA-N 1 0 347.798 3.428 20 10 EGCDRO CCCN1C[C@H](C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)CC1=O ZINC000817411805 1319351187 /nfs/dbraw/zinc/35/11/87/1319351187.db2.gz ZYUKSJWCANSDPD-INIZCTEOSA-N 1 0 335.467 3.020 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c1O ZINC000817413359 1319352613 /nfs/dbraw/zinc/35/26/13/1319352613.db2.gz XAMSIQSOCWKWRO-DZGCQCFKSA-N 1 0 335.444 3.343 20 10 EGCDRO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000817414042 1319352874 /nfs/dbraw/zinc/35/28/74/1319352874.db2.gz BMKNPYQHIQGSEG-QGZVFWFLSA-N 1 0 343.496 3.095 20 10 EGCDRO CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817936708 1319465184 /nfs/dbraw/zinc/46/51/84/1319465184.db2.gz QHLYQRZVNCPEEI-HNNXBMFYSA-N 1 0 346.302 3.035 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817939304 1319465808 /nfs/dbraw/zinc/46/58/08/1319465808.db2.gz BAWGMGZGQGYSHR-RBUKOAKNSA-N 1 0 343.446 3.395 20 10 EGCDRO COc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1OC ZINC000817938325 1319465854 /nfs/dbraw/zinc/46/58/54/1319465854.db2.gz JBWHYQHZZYUMDZ-KSSFIOAISA-N 1 0 343.471 3.120 20 10 EGCDRO COc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940553 1319467815 /nfs/dbraw/zinc/46/78/15/1319467815.db2.gz JUMWDMIEZZTDPU-MGPUTAFESA-N 1 0 327.472 3.420 20 10 EGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1nc2c(s1)CCCC2 ZINC000817939513 1319468619 /nfs/dbraw/zinc/46/86/19/1319468619.db2.gz BZQDZBGWKLFSIG-BBRMVZONSA-N 1 0 344.528 3.439 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817942226 1319469566 /nfs/dbraw/zinc/46/95/66/1319469566.db2.gz NAWKIKPMINZRSA-OALUTQOASA-N 1 0 328.435 3.027 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000817942724 1319470697 /nfs/dbraw/zinc/47/06/97/1319470697.db2.gz QNWYUCVVVPTEMJ-RTBURBONSA-N 1 0 343.446 3.395 20 10 EGCDRO Cc1c([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000817942551 1319470823 /nfs/dbraw/zinc/47/08/23/1319470823.db2.gz PMYRGEYVVMGTGA-KBXCAEBGSA-N 1 0 342.443 3.320 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Br)ccc1O ZINC000817946654 1319471347 /nfs/dbraw/zinc/47/13/47/1319471347.db2.gz CJKPMOIWWMFUHC-SDDRHHMPSA-N 1 0 327.266 3.193 20 10 EGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ncc(Br)s1 ZINC000817956361 1319476317 /nfs/dbraw/zinc/47/63/17/1319476317.db2.gz XFADCOOOLNJARU-VIFPVBQESA-N 1 0 326.263 3.381 20 10 EGCDRO COC[C@@]1(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)CCC[NH2+]1 ZINC000817975938 1319483939 /nfs/dbraw/zinc/48/39/39/1319483939.db2.gz ZZHMBZSTGMIENO-RXVVDRJESA-N 1 0 345.531 3.486 20 10 EGCDRO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)cc(F)c1[O-] ZINC000817980976 1319484205 /nfs/dbraw/zinc/48/42/05/1319484205.db2.gz ORQCOKSENFEOBP-CMPLNLGQSA-N 1 0 345.256 3.477 20 10 EGCDRO CCc1nc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000818221867 1319523018 /nfs/dbraw/zinc/52/30/18/1319523018.db2.gz USQGJOJHIXPMES-CQSZACIVSA-N 1 0 331.485 3.330 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](Cn3cccn3)C(C)C)C2)cc1 ZINC000818342994 1319530529 /nfs/dbraw/zinc/53/05/29/1319530529.db2.gz XOXOOQIUFURWLD-FXAWDEMLSA-N 1 0 342.487 3.032 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(F)cn3)C2)cc1 ZINC000818342289 1319530796 /nfs/dbraw/zinc/53/07/96/1319530796.db2.gz OMUKJWAYKONMLI-GJZGRUSLSA-N 1 0 329.419 3.406 20 10 EGCDRO C[C@H]1CC2(C[N@@H+]1Cc1cccc(Br)c1[O-])CC[NH2+]CC2 ZINC000818431149 1319541191 /nfs/dbraw/zinc/54/11/91/1319541191.db2.gz GSCNQKNOTXRUMU-LBPRGKRZSA-N 1 0 339.277 3.119 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000818615047 1319570599 /nfs/dbraw/zinc/57/05/99/1319570599.db2.gz KZXWQGFZHMVWBL-ZEGGKSINSA-N 1 0 331.229 3.214 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C3(F)CCCC3)C2)cc1C ZINC000962013570 1319800393 /nfs/dbraw/zinc/80/03/93/1319800393.db2.gz BLSDSFSZDOFMKA-UHFFFAOYSA-N 1 0 348.462 3.270 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C3CC4(CC4)C3)C2)cc1C ZINC000962291560 1319903620 /nfs/dbraw/zinc/90/36/20/1319903620.db2.gz OYPPZWWXUQJOIX-UHFFFAOYSA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1C ZINC001023811965 1319955511 /nfs/dbraw/zinc/95/55/11/1319955511.db2.gz VINLEHPILWQFPY-KRWDZBQOSA-N 1 0 342.439 3.239 20 10 EGCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1O ZINC000822507354 1320090753 /nfs/dbraw/zinc/09/07/53/1320090753.db2.gz AWIFMZDNZOSMOH-HOCLYGCPSA-N 1 0 332.444 3.142 20 10 EGCDRO COCC1CCC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000823703237 1320199067 /nfs/dbraw/zinc/19/90/67/1320199067.db2.gz YACGTFKSGBKLOW-UHFFFAOYSA-N 1 0 346.515 3.190 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CC2(OC)CCCC2)c1O ZINC000824446294 1320258713 /nfs/dbraw/zinc/25/87/13/1320258713.db2.gz VGKLMOZQHWDOEQ-UHFFFAOYSA-N 1 0 344.249 3.212 20 10 EGCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000824677512 1320276336 /nfs/dbraw/zinc/27/63/36/1320276336.db2.gz DZHCAURCMMFFFQ-IBGZPJMESA-N 1 0 331.504 3.269 20 10 EGCDRO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2cc(C)ccc2O)c(OC)c1 ZINC000824733614 1320281478 /nfs/dbraw/zinc/28/14/78/1320281478.db2.gz VYYYYNOZJKXWPD-AWEZNQCLSA-N 1 0 345.439 3.447 20 10 EGCDRO CC[C@](C)(C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000824743633 1320281725 /nfs/dbraw/zinc/28/17/25/1320281725.db2.gz JLVWXRJWCZADBD-CQSZACIVSA-N 1 0 332.238 3.068 20 10 EGCDRO COCC(COC)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000824921781 1320296491 /nfs/dbraw/zinc/29/64/91/1320296491.db2.gz QZEAUQAAFWPXMN-UHFFFAOYSA-N 1 0 340.467 3.000 20 10 EGCDRO Cc1cc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000824938182 1320298226 /nfs/dbraw/zinc/29/82/26/1320298226.db2.gz GSERLZCQAJWPSY-QILLFSRXSA-N 1 0 338.879 3.038 20 10 EGCDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000825046043 1320305974 /nfs/dbraw/zinc/30/59/74/1320305974.db2.gz OXMACJUCPDYAQY-APWZRJJASA-N 1 0 337.423 3.289 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000825145261 1320314731 /nfs/dbraw/zinc/31/47/31/1320314731.db2.gz XWWQBMFSHJIWKO-UHFFFAOYSA-N 1 0 346.858 3.475 20 10 EGCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000825196715 1320317425 /nfs/dbraw/zinc/31/74/25/1320317425.db2.gz NFFSSUMTVMTFAR-GZBFAFLISA-N 1 0 333.350 3.256 20 10 EGCDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000825196280 1320317620 /nfs/dbraw/zinc/31/76/20/1320317620.db2.gz BQEYJUBRJVWOQL-UHFFFAOYSA-N 1 0 349.475 3.472 20 10 EGCDRO COCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCCC1 ZINC000825246112 1320320902 /nfs/dbraw/zinc/32/09/02/1320320902.db2.gz XTSOSRMPQBHAFT-UHFFFAOYSA-N 1 0 332.488 3.460 20 10 EGCDRO OCC1([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2cccs2)CCC1 ZINC000825310729 1320326457 /nfs/dbraw/zinc/32/64/57/1320326457.db2.gz BXYFWSYJCCBKOA-KRWDZBQOSA-N 1 0 347.436 3.176 20 10 EGCDRO COC(=O)CC1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCC1 ZINC000825412362 1320336194 /nfs/dbraw/zinc/33/61/94/1320336194.db2.gz HOPXBEWXCIZTNI-UHFFFAOYSA-N 1 0 335.444 3.274 20 10 EGCDRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000825753924 1320360525 /nfs/dbraw/zinc/36/05/25/1320360525.db2.gz XBLMOPXYXDCACQ-OAHLLOKOSA-N 1 0 345.439 3.147 20 10 EGCDRO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000825916260 1320370672 /nfs/dbraw/zinc/37/06/72/1320370672.db2.gz LWTIVWOGECRXON-CQSZACIVSA-N 1 0 331.412 3.104 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](O)c1ccccc1 ZINC000825940186 1320373226 /nfs/dbraw/zinc/37/32/26/1320373226.db2.gz PCFZZLJXQIDKPG-BZNIZROVSA-N 1 0 336.229 3.366 20 10 EGCDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000826994612 1320418798 /nfs/dbraw/zinc/41/87/98/1320418798.db2.gz LSWGAMBHYNRFBI-SFHVURJKSA-N 1 0 338.407 3.086 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000827377335 1320449618 /nfs/dbraw/zinc/44/96/18/1320449618.db2.gz VXYGJXLKSVYJPD-PZJWPPBQSA-N 1 0 344.499 3.304 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000838904250 1320831896 /nfs/dbraw/zinc/83/18/96/1320831896.db2.gz LAGQKOQUJYMNBY-UHFFFAOYSA-N 1 0 340.496 3.197 20 10 EGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920678 1320996248 /nfs/dbraw/zinc/99/62/48/1320996248.db2.gz SDWXQYAVZTXBPL-CVEARBPZSA-N 1 0 333.520 3.275 20 10 EGCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000840180703 1321045055 /nfs/dbraw/zinc/04/50/55/1321045055.db2.gz XTDAPMCIAXESFJ-ZDUSSCGKSA-N 1 0 338.407 3.202 20 10 EGCDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000840810667 1321154124 /nfs/dbraw/zinc/15/41/24/1321154124.db2.gz ROCYTKWZECTSLI-DOTOQJQBSA-N 1 0 329.440 3.444 20 10 EGCDRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840837984 1321159865 /nfs/dbraw/zinc/15/98/65/1321159865.db2.gz XZASWTBUCQCNTK-LSDHHAIUSA-N 1 0 340.895 3.500 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)c1O ZINC000840889563 1321171161 /nfs/dbraw/zinc/17/11/61/1321171161.db2.gz IPCRUQUGOFYSGZ-LBPRGKRZSA-N 1 0 345.892 3.220 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000840890837 1321172032 /nfs/dbraw/zinc/17/20/32/1321172032.db2.gz PALKEUXAXWJVLS-GXFFZTMASA-N 1 0 332.366 3.365 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000840911176 1321175887 /nfs/dbraw/zinc/17/58/87/1321175887.db2.gz SDEPXSNZJOGEDA-UHFFFAOYSA-N 1 0 331.504 3.140 20 10 EGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840914145 1321176317 /nfs/dbraw/zinc/17/63/17/1321176317.db2.gz PSQFNJLQEAKZIC-UHFFFAOYSA-N 1 0 333.476 3.114 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000840940422 1321181876 /nfs/dbraw/zinc/18/18/76/1321181876.db2.gz ZXJBMBPCLHGZCZ-GOSISDBHSA-N 1 0 345.874 3.421 20 10 EGCDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000840962850 1321187828 /nfs/dbraw/zinc/18/78/28/1321187828.db2.gz GGMIYVCXNHCXLP-INMHGKMJSA-N 1 0 347.459 3.488 20 10 EGCDRO CC[C@](C[NH2+]Cc1c(O)cccc1OC)(C(=O)OC)c1ccccc1 ZINC000840977296 1321192421 /nfs/dbraw/zinc/19/24/21/1321192421.db2.gz HBWBRDZGCXCWHK-HXUWFJFHSA-N 1 0 343.423 3.011 20 10 EGCDRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841033890 1321205050 /nfs/dbraw/zinc/20/50/50/1321205050.db2.gz CWMVZPQAUPBDTK-GDBMZVCRSA-N 1 0 340.414 3.158 20 10 EGCDRO CC(C)c1ccc([C@@H](N)C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000841036159 1321205766 /nfs/dbraw/zinc/20/57/66/1321205766.db2.gz KOWLIGJBHNSKPD-INIZCTEOSA-N 1 0 328.412 3.034 20 10 EGCDRO CC(C)C[C@H](CN)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841039003 1321207079 /nfs/dbraw/zinc/20/70/79/1321207079.db2.gz WTTVEIPRHYRDHF-GOSISDBHSA-N 1 0 328.456 3.434 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2csc(C(C)(C)C)n2)cc1 ZINC000841042407 1321207243 /nfs/dbraw/zinc/20/72/43/1321207243.db2.gz JJLIGFJZIPAHDH-INIZCTEOSA-N 1 0 332.517 3.296 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc3c2OC(C)(C)C3)cc1 ZINC000841045378 1321208610 /nfs/dbraw/zinc/20/86/10/1321208610.db2.gz KMAWOZCIUSESTG-IBGZPJMESA-N 1 0 339.483 3.256 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N2CCC(CC[NH2+]C)CC2)cc1 ZINC000841719233 1321302059 /nfs/dbraw/zinc/30/20/59/1321302059.db2.gz GYXWBTVLIOUQHR-UHFFFAOYSA-N 1 0 346.519 3.064 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000841718844 1321302085 /nfs/dbraw/zinc/30/20/85/1321302085.db2.gz CQEOQEWEMIGPJU-SFHVURJKSA-N 1 0 334.508 3.048 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1O ZINC000841743793 1321305801 /nfs/dbraw/zinc/30/58/01/1321305801.db2.gz CEBTUPDYTZPVLO-RISCZKNCSA-N 1 0 339.794 3.275 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@H](CC(C)C)OC)c1O ZINC000841888728 1321326611 /nfs/dbraw/zinc/32/66/11/1321326611.db2.gz OTFJDXSGEHGOHX-ZDUSSCGKSA-N 1 0 346.265 3.314 20 10 EGCDRO CCCC[C@H](C[NH3+])NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841958756 1321332273 /nfs/dbraw/zinc/33/22/73/1321332273.db2.gz SGBQQYZCQHFPPC-GOSISDBHSA-N 1 0 346.519 3.336 20 10 EGCDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000842753063 1321427505 /nfs/dbraw/zinc/42/75/05/1321427505.db2.gz BSYBMTMHIHKFTF-ZWNOBZJWSA-N 1 0 346.265 3.050 20 10 EGCDRO CC[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843050179 1321461515 /nfs/dbraw/zinc/46/15/15/1321461515.db2.gz ALQCOKMGPWRAMK-IRXDYDNUSA-N 1 0 346.475 3.144 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000843056719 1321462796 /nfs/dbraw/zinc/46/27/96/1321462796.db2.gz XQYFPEDQNDWBKQ-AWEZNQCLSA-N 1 0 329.282 3.268 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000843323750 1321501629 /nfs/dbraw/zinc/50/16/29/1321501629.db2.gz BRBMLEGCTOYUMA-ZBFHGGJFSA-N 1 0 343.446 3.351 20 10 EGCDRO Cc1c(Cl)cccc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843351519 1321504164 /nfs/dbraw/zinc/50/41/64/1321504164.db2.gz NKYMMOFLTCCNNI-UHFFFAOYSA-N 1 0 343.858 3.498 20 10 EGCDRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000844172553 1321575636 /nfs/dbraw/zinc/57/56/36/1321575636.db2.gz BUUBEUUQWAIDJX-GOSISDBHSA-N 1 0 343.858 3.256 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(OC)cc3F)C2)cc1 ZINC000845986576 1321761242 /nfs/dbraw/zinc/76/12/42/1321761242.db2.gz YUAINWWUQVBWOK-HNNXBMFYSA-N 1 0 344.430 3.459 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CCCc3ccccc32)c1O ZINC000846144951 1321771124 /nfs/dbraw/zinc/77/11/24/1321771124.db2.gz LETMNUZIEWIJKR-VLIAUNLRSA-N 1 0 327.424 3.276 20 10 EGCDRO CCN(CC[NH2+][C@H](C)c1cccc(OC)c1O)CCC(F)(F)F ZINC000846166739 1321773736 /nfs/dbraw/zinc/77/37/36/1321773736.db2.gz OKJJUVGGNQUFAM-GFCCVEGCSA-N 1 0 334.382 3.326 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1O ZINC000846166776 1321773752 /nfs/dbraw/zinc/77/37/52/1321773752.db2.gz CLXRJNVHZBNZRV-LBPRGKRZSA-N 1 0 333.457 3.177 20 10 EGCDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)NC(=O)OC(C)(C)C ZINC000846171361 1321774086 /nfs/dbraw/zinc/77/40/86/1321774086.db2.gz RXQKPZSYNDMOOV-STQMWFEESA-N 1 0 338.448 3.355 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1O ZINC000846174814 1321774505 /nfs/dbraw/zinc/77/45/05/1321774505.db2.gz ZGUZZSOLAHZBAN-JCQPUDPBSA-N 1 0 333.453 3.130 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846203019 1321775467 /nfs/dbraw/zinc/77/54/67/1321775467.db2.gz DGMDXMBOPUZCDE-LSDHHAIUSA-N 1 0 336.451 3.128 20 10 EGCDRO C[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846203017 1321775483 /nfs/dbraw/zinc/77/54/83/1321775483.db2.gz DGMDXMBOPUZCDE-HUUCEWRRSA-N 1 0 336.451 3.128 20 10 EGCDRO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000846474573 1321788049 /nfs/dbraw/zinc/78/80/49/1321788049.db2.gz VJOWGEXOHJQLCL-INIZCTEOSA-N 1 0 336.863 3.459 20 10 EGCDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848565006 1321977006 /nfs/dbraw/zinc/97/70/06/1321977006.db2.gz KNXSKSXBJCKHJB-SJORKVTESA-N 1 0 325.456 3.200 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1O ZINC000848890549 1322031974 /nfs/dbraw/zinc/03/19/74/1322031974.db2.gz RJYLVRYSQPCQJT-VQTJNVASSA-N 1 0 341.451 3.279 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2cccc(N3CCOC3=O)c2)c1O ZINC000848895762 1322035280 /nfs/dbraw/zinc/03/52/80/1322035280.db2.gz XGGUTZGTIUPGJZ-UHFFFAOYSA-N 1 0 326.396 3.201 20 10 EGCDRO COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)o1 ZINC000848896270 1322035328 /nfs/dbraw/zinc/03/53/28/1322035328.db2.gz WXBWNVOIBKOBJT-KTKRTIGZSA-N 1 0 328.412 3.130 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)c1O ZINC000848896625 1322035708 /nfs/dbraw/zinc/03/57/08/1322035708.db2.gz FFGFEVYUTROWPU-UHFFFAOYSA-N 1 0 344.430 3.220 20 10 EGCDRO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1O ZINC000848908999 1322041586 /nfs/dbraw/zinc/04/15/86/1322041586.db2.gz HTIVNTKBMWJHIZ-SFHVURJKSA-N 1 0 339.439 3.351 20 10 EGCDRO CCCN(Cc1ccc(/C=C\C(=O)OC)o1)c1ccc(C[NH3+])cc1 ZINC000848908220 1322041676 /nfs/dbraw/zinc/04/16/76/1322041676.db2.gz ZGWBLVSYEGTZOM-KHPPLWFESA-N 1 0 328.412 3.341 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1O ZINC000848911309 1322042940 /nfs/dbraw/zinc/04/29/40/1322042940.db2.gz FSHSOYBUSAJOKP-OAHLLOKOSA-N 1 0 342.439 3.055 20 10 EGCDRO Oc1c(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)ccc2ccccc21 ZINC000848930848 1322048293 /nfs/dbraw/zinc/04/82/93/1322048293.db2.gz XRKLENOXQNPTHJ-IBGZPJMESA-N 1 0 340.467 3.232 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1cccc(C)c1 ZINC000920302571 1322160301 /nfs/dbraw/zinc/16/03/01/1322160301.db2.gz PJERSNVMKKTKMW-KRWDZBQOSA-N 1 0 337.467 3.369 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)Cc2cnccn2)c(O)c(C(C)(C)C)c1 ZINC000850093041 1322192165 /nfs/dbraw/zinc/19/21/65/1322192165.db2.gz CYBFHSKRMHEZQX-CYBMUJFWSA-N 1 0 329.444 3.209 20 10 EGCDRO c1cc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc2c1OCC2 ZINC000850112153 1322193520 /nfs/dbraw/zinc/19/35/20/1322193520.db2.gz UGWHIBRJYXDXEF-IBGZPJMESA-N 1 0 325.408 3.079 20 10 EGCDRO COc1cc(CNc2cnn(CC[NH+](C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000850115204 1322193873 /nfs/dbraw/zinc/19/38/73/1322193873.db2.gz DKQSJRNXRUCYDA-UHFFFAOYSA-N 1 0 346.475 3.069 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850180670 1322203368 /nfs/dbraw/zinc/20/33/68/1322203368.db2.gz BWUCUBJWSYYOPD-UKRRQHHQSA-N 1 0 332.488 3.413 20 10 EGCDRO CCNC(=O)C1(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCC1 ZINC000850277112 1322221582 /nfs/dbraw/zinc/22/15/82/1322221582.db2.gz XOTYDAPJBUMWCY-UHFFFAOYSA-N 1 0 348.487 3.094 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)CC2CC2)c(C(F)(F)F)c1 ZINC000850389266 1322236789 /nfs/dbraw/zinc/23/67/89/1322236789.db2.gz UZVITYWQJCQHCX-ZDUSSCGKSA-N 1 0 330.394 3.270 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1 ZINC000850400770 1322239826 /nfs/dbraw/zinc/23/98/26/1322239826.db2.gz NLZDPSXVQIRESP-FQEVSTJZSA-N 1 0 334.504 3.190 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000850406224 1322240160 /nfs/dbraw/zinc/24/01/60/1322240160.db2.gz XWGAJITVTPEFQR-UHFFFAOYSA-N 1 0 340.467 3.255 20 10 EGCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000850431099 1322247723 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3.442 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(-n2cnnc2)c1 ZINC000924863286 1323192087 /nfs/dbraw/zinc/19/20/87/1323192087.db2.gz XHGFWOUXEQLWNC-CQSZACIVSA-N 1 0 339.418 3.323 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1cccc(OC)c1 ZINC000852446828 1323194405 /nfs/dbraw/zinc/19/44/05/1323194405.db2.gz SCCZILXBCGRQJD-GOSISDBHSA-N 1 0 347.386 3.220 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1C[NH2+]C2 ZINC000852884432 1323249362 /nfs/dbraw/zinc/24/93/62/1323249362.db2.gz YHFRYJUYNQKAGU-UHFFFAOYSA-N 1 0 337.467 3.407 20 10 EGCDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024819013 1323724709 /nfs/dbraw/zinc/72/47/09/1323724709.db2.gz KMTFOCJEQYXMAX-MRXNPFEDSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)CC4CC4)C[C@@H]23)cc1C ZINC001026170966 1324639675 /nfs/dbraw/zinc/63/96/75/1324639675.db2.gz MYHFRMSEXYOPJH-GUDVDZBRSA-N 1 0 342.483 3.130 20 10 EGCDRO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000860179558 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325.447 3.195 20 10 EGCDRO Oc1cccc(Br)c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000862318204 1329475047 /nfs/dbraw/zinc/47/50/47/1329475047.db2.gz QBQKPLMRPZPVCZ-ZDUSSCGKSA-N 1 0 340.261 3.403 20 10 EGCDRO Oc1cccc(Br)c1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000862375536 1329480045 /nfs/dbraw/zinc/48/00/45/1329480045.db2.gz ANIZKZSSQGAOOF-AWEZNQCLSA-N 1 0 326.234 3.034 20 10 EGCDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3c(O)cccc3Br)C2)C1 ZINC000862377605 1329480370 /nfs/dbraw/zinc/48/03/70/1329480370.db2.gz JGEJMGGDHKUGAZ-MRXNPFEDSA-N 1 0 339.277 3.072 20 10 EGCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862379187 1329480416 /nfs/dbraw/zinc/48/04/16/1329480416.db2.gz IXWZYGRLAMKRBW-INIZCTEOSA-N 1 0 342.277 3.385 20 10 EGCDRO COC(=O)c1cnc(C2CC[NH+](Cc3cccc(C)c3O)CC2)s1 ZINC000862474683 1329489118 /nfs/dbraw/zinc/48/91/18/1329489118.db2.gz YGMQAWJIZBWIRA-UHFFFAOYSA-N 1 0 346.452 3.323 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1C ZINC000865720854 1329732362 /nfs/dbraw/zinc/73/23/62/1329732362.db2.gz JLUFFLWOUJHSAA-UHFFFAOYSA-N 1 0 343.496 3.247 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(C)cc1O ZINC000866436200 1330112149 /nfs/dbraw/zinc/11/21/49/1330112149.db2.gz KMEXLPLPPYOYQD-OCCSQVGLSA-N 1 0 328.338 3.136 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@]3(C)CC=CCC3)C2)cc1C ZINC000968783229 1336049347 /nfs/dbraw/zinc/04/93/47/1336049347.db2.gz QJGMWBXFGMNPRP-NQIIRXRSSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C3CCC3)C2)cc1C ZINC000969058072 1336132322 /nfs/dbraw/zinc/13/23/22/1336132322.db2.gz VNWLWEFOKOONMM-CRAIPNDOSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C2)cc1C ZINC000969095327 1336140952 /nfs/dbraw/zinc/14/09/52/1336140952.db2.gz QYHQEQHJOSBGMD-NVXWUHKLSA-N 1 0 332.488 3.376 20 10 EGCDRO CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674343 1337058524 /nfs/dbraw/zinc/05/85/24/1337058524.db2.gz QRBSJBIQKWRLDH-XJKSGUPXSA-N 1 0 345.447 3.089 20 10 EGCDRO CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034548646 1342611261 /nfs/dbraw/zinc/61/12/61/1342611261.db2.gz QTJIIKNODPFKGS-MRXNPFEDSA-N 1 0 345.447 3.233 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2CC3(CC3)C2)cc1C ZINC001035051258 1342899240 /nfs/dbraw/zinc/89/92/40/1342899240.db2.gz XKMKKVIDEYGSHM-GOSISDBHSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC3CC3)C[C@H]2C)cc1C ZINC001035885450 1343248411 /nfs/dbraw/zinc/24/84/11/1343248411.db2.gz IETBLUOQBLLZKP-CRAIPNDOSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(C)C)C[C@H]2C)cc1C ZINC001036269797 1343387907 /nfs/dbraw/zinc/38/79/07/1343387907.db2.gz ZYLAZXXHERWZLN-WBVHZDCISA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2ccco2)cc1C ZINC001036927902 1343870617 /nfs/dbraw/zinc/87/06/17/1343870617.db2.gz SIVJYODQGICEDO-SJORKVTESA-N 1 0 342.439 3.285 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2coc(C)c2)cc1C ZINC001045012002 1346480558 /nfs/dbraw/zinc/48/05/58/1346480558.db2.gz ROCLMPUQDUVULR-SFHVURJKSA-N 1 0 342.439 3.299 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC23CCC3)cc1C ZINC001045221022 1346533923 /nfs/dbraw/zinc/53/39/23/1346533923.db2.gz ZIJTVIVOTNVJST-ROUUACIJSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2C)cc1C ZINC001048105875 1347467920 /nfs/dbraw/zinc/46/79/20/1347467920.db2.gz WTUYXOZIKZLIPG-RDJZCZTQSA-N 1 0 342.439 3.095 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC3CCC3)C[C@@H]2C)cc1C ZINC001048193407 1347489479 /nfs/dbraw/zinc/48/94/79/1347489479.db2.gz PVNGSKOUNWZYSH-QFBILLFUSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3CC(C)(C)C3)C[C@@H]2C)cc1C ZINC001054623144 1349418986 /nfs/dbraw/zinc/41/89/86/1349418986.db2.gz VAZCWKNNKHWXHC-YJBOKZPZSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc(C)co3)C2)cc1C ZINC001086172894 1359014617 /nfs/dbraw/zinc/01/46/17/1359014617.db2.gz OWDJDDPBJASETP-CALCHBBNSA-N 1 0 342.439 3.203 20 10 EGCDRO CCCC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001072163066 1355160756 /nfs/dbraw/zinc/16/07/56/1355160756.db2.gz JRSWHFFBIOYQHJ-MAUKXSAKSA-N 1 0 332.488 3.378 20 10 EGCDRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]n1 ZINC001323189157 1387308628 /nfs/dbraw/zinc/30/86/28/1387308628.db2.gz FCVKUOSXHSWJNJ-CYBMUJFWSA-N 1 0 336.386 3.078 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC34CCC4)C2)cc1C ZINC001086212063 1359028660 /nfs/dbraw/zinc/02/86/60/1359028660.db2.gz AJZOVKPFYYQILQ-KSZLIROESA-N 1 0 342.483 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CC=CCC3)C2)cc1C ZINC001090923071 1360954465 /nfs/dbraw/zinc/95/44/65/1360954465.db2.gz YUAGMLGIYVPSCI-XBMUEBEBSA-N 1 0 342.483 3.344 20 10 EGCDRO CC/C=C(/C)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199586703 1369241834 /nfs/dbraw/zinc/24/18/34/1369241834.db2.gz ZYYISKSFNGUZQE-UUASQNMZSA-N 1 0 330.472 3.441 20 10 EGCDRO CCCCCC[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001113703949 1369576708 /nfs/dbraw/zinc/57/67/08/1369576708.db2.gz UELDIPVNLOIEEU-UHFFFAOYSA-N 1 0 345.447 3.187 20 10 EGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)CCC(F)F)CC2)cc1C ZINC001201654761 1369597052 /nfs/dbraw/zinc/59/70/52/1369597052.db2.gz KIDFJUMPCIRYJW-UHFFFAOYSA-N 1 0 340.414 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C=C(C)C)C23CCC3)cc1C ZINC001202382648 1369755803 /nfs/dbraw/zinc/75/58/03/1369755803.db2.gz HCHHQVNHMSAEBN-OALUTQOASA-N 1 0 342.483 3.487 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCF)C23CCC3)cc1C ZINC001203290714 1370064453 /nfs/dbraw/zinc/06/44/53/1370064453.db2.gz XMYWCIOMJKOKCT-ZWKOTPCHSA-N 1 0 348.462 3.270 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC001325786516 1388045668 /nfs/dbraw/zinc/04/56/68/1388045668.db2.gz UGEYZPIXQXRKGH-XJKSGUPXSA-N 1 0 334.851 3.099 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c1O ZINC001203602009 1370183822 /nfs/dbraw/zinc/18/38/22/1370183822.db2.gz WECFRHWIPXMYPT-MRXNPFEDSA-N 1 0 328.412 3.148 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001203609513 1370186959 /nfs/dbraw/zinc/18/69/59/1370186959.db2.gz WBXKEHIOXUMORC-SFHVURJKSA-N 1 0 326.440 3.280 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1O ZINC001203615339 1370188911 /nfs/dbraw/zinc/18/89/11/1370188911.db2.gz RERNSHLLYVJPQO-KRWDZBQOSA-N 1 0 325.408 3.496 20 10 EGCDRO COc1ccc(C[NH+]2CCC(Oc3ncccc3C)CC2)c(O)c1 ZINC001203634898 1370195415 /nfs/dbraw/zinc/19/54/15/1370195415.db2.gz ANVFCLLDHNCRCO-UHFFFAOYSA-N 1 0 328.412 3.148 20 10 EGCDRO CCN(Cc1ccc(O)c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001203879893 1370297046 /nfs/dbraw/zinc/29/70/46/1370297046.db2.gz JSDOLJXUOBAXRC-GOSISDBHSA-N 1 0 326.440 3.194 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)Cc1ccc(O)c(O)c1 ZINC001203879838 1370297385 /nfs/dbraw/zinc/29/73/85/1370297385.db2.gz GEEPLYZASXLOTA-LPHOPBHVSA-N 1 0 340.467 3.440 20 10 EGCDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879578 1370297617 /nfs/dbraw/zinc/29/76/17/1370297617.db2.gz SVZNNBUNAPDADV-OAHLLOKOSA-N 1 0 329.396 3.150 20 10 EGCDRO COc1ccc([C@H]2CSCCN2Cc2ccc(O)c(O)c2)cc1 ZINC001203882562 1370298639 /nfs/dbraw/zinc/29/86/39/1370298639.db2.gz LQYQZPQZSXTZJW-MRXNPFEDSA-N 1 0 331.437 3.397 20 10 EGCDRO CN(C)c1ccc(CN2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001203931030 1370319000 /nfs/dbraw/zinc/31/90/00/1370319000.db2.gz LQEIEXUPPZVTHG-MSOLQXFVSA-N 1 0 345.487 3.336 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)cc1 ZINC001203931419 1370319080 /nfs/dbraw/zinc/31/90/80/1370319080.db2.gz HHWXBJNXEBEMHP-HXUWFJFHSA-N 1 0 344.499 3.303 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c2ccccc21 ZINC001204237223 1370418263 /nfs/dbraw/zinc/41/82/63/1370418263.db2.gz HKXDDIYVYTYHMV-WOJBJXKFSA-N 1 0 337.467 3.101 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(n3cnnc3)CC2)c2ccccc21 ZINC001204239616 1370418873 /nfs/dbraw/zinc/41/88/73/1370418873.db2.gz AGWXTIAQUJBUFO-UHFFFAOYSA-N 1 0 335.455 3.334 20 10 EGCDRO Oc1ccc(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)c(O)c1 ZINC001204280028 1370430128 /nfs/dbraw/zinc/43/01/28/1370430128.db2.gz JSFBBCROTDILBV-UHFFFAOYSA-N 1 0 334.803 3.190 20 10 EGCDRO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c(O)c1 ZINC001204280699 1370431080 /nfs/dbraw/zinc/43/10/80/1370431080.db2.gz MYJWJZQWSQVUQF-OKILXGFUSA-N 1 0 333.391 3.128 20 10 EGCDRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)no1 ZINC001204326263 1370444756 /nfs/dbraw/zinc/44/47/56/1370444756.db2.gz WJJUZXWFMFNIGF-KRWDZBQOSA-N 1 0 326.444 3.358 20 10 EGCDRO Cc1nccnc1O[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329738 1370445364 /nfs/dbraw/zinc/44/53/64/1370445364.db2.gz YRRLKJDXSWGESO-IBGZPJMESA-N 1 0 338.455 3.039 20 10 EGCDRO [NH3+][C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CC12CC2 ZINC001204912652 1370603897 /nfs/dbraw/zinc/60/38/97/1370603897.db2.gz YVNUDDZVVLUCDS-MRXNPFEDSA-N 1 0 347.256 3.231 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288131 1370708220 /nfs/dbraw/zinc/70/82/20/1370708220.db2.gz GPHJDLVJJXFHOJ-OAHLLOKOSA-N 1 0 327.266 3.166 20 10 EGCDRO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)c(O)cc1Br ZINC001205923172 1370911972 /nfs/dbraw/zinc/91/19/72/1370911972.db2.gz KALOVCYLRDDALM-RYUDHWBXSA-N 1 0 327.266 3.022 20 10 EGCDRO [NH3+][C@H]1CCCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001205931174 1370915892 /nfs/dbraw/zinc/91/58/92/1370915892.db2.gz HREMCKVXOJRSOF-SFHVURJKSA-N 1 0 326.440 3.284 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC001116564892 1370937464 /nfs/dbraw/zinc/93/74/64/1370937464.db2.gz AMLSOSALOFIBHM-DZGCQCFKSA-N 1 0 335.411 3.014 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCC[C@@H](C)C2)c2c1c(F)ccc2O ZINC001116589332 1370941570 /nfs/dbraw/zinc/94/15/70/1370941570.db2.gz UHBZUQWJZMIPDK-UMVBOHGHSA-N 1 0 334.435 3.318 20 10 EGCDRO C[C@@H]1CCN(Cc2c(O)ccc3cc(Br)ccc32)C[C@H]1[NH3+] ZINC001206043903 1370946803 /nfs/dbraw/zinc/94/68/03/1370946803.db2.gz ZDXSNSJDOCONCK-BDJLRTHQSA-N 1 0 349.272 3.477 20 10 EGCDRO C[C@@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1[NH3+] ZINC001206043591 1370947198 /nfs/dbraw/zinc/94/71/98/1370947198.db2.gz MJNRUPIHAWMXDR-DNVCBOLYSA-N 1 0 326.440 3.140 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC001116828938 1370982881 /nfs/dbraw/zinc/98/28/81/1370982881.db2.gz CNPKLDVXZVKWSU-UHFFFAOYSA-N 1 0 345.414 3.110 20 10 EGCDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001117747595 1371073757 /nfs/dbraw/zinc/07/37/57/1371073757.db2.gz HXMMXEUAVYKCNK-XLIONFOSSA-N 1 0 340.471 3.030 20 10 EGCDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001117747593 1371073884 /nfs/dbraw/zinc/07/38/84/1371073884.db2.gz HXMMXEUAVYKCNK-PXNSSMCTSA-N 1 0 340.471 3.030 20 10 EGCDRO C[C@]1(C[NH3+])CCCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206573231 1371097721 /nfs/dbraw/zinc/09/77/21/1371097721.db2.gz KJRCLLZHJBWGDE-OAHLLOKOSA-N 1 0 332.366 3.242 20 10 EGCDRO COc1ccc([C@@H](CO)C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC001118578121 1371201962 /nfs/dbraw/zinc/20/19/62/1371201962.db2.gz PWJGJBAQYKEHQG-OAHLLOKOSA-N 1 0 335.831 3.228 20 10 EGCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118605535 1371206037 /nfs/dbraw/zinc/20/60/37/1371206037.db2.gz BGIATUOHNOCWGH-AZUAARDMSA-N 1 0 330.472 3.498 20 10 EGCDRO Cc1nc(Cl)c(CC[N@@H+]2CCc3cccc(O)c3C2)c(Cl)n1 ZINC001207345711 1371366760 /nfs/dbraw/zinc/36/67/60/1371366760.db2.gz KALTZDOGQRWQOK-UHFFFAOYSA-N 1 0 338.238 3.398 20 10 EGCDRO CC(=O)N1CCC2(C[NH+](Cc3ccc(-n4c(C)ccc4C)cc3)C2)C1 ZINC001209519195 1372126954 /nfs/dbraw/zinc/12/69/54/1372126954.db2.gz YSKQXIDPERYERG-UHFFFAOYSA-N 1 0 337.467 3.148 20 10 EGCDRO CNC(=O)C1CC[NH+](Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209518617 1372127036 /nfs/dbraw/zinc/12/70/36/1372127036.db2.gz NJOZGSZMIPMSST-UHFFFAOYSA-N 1 0 325.456 3.052 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001209520234 1372127717 /nfs/dbraw/zinc/12/77/17/1372127717.db2.gz RRCQFWRRGZGOOH-LJQANCHMSA-N 1 0 346.496 3.103 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(CN2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC001209520233 1372128029 /nfs/dbraw/zinc/12/80/29/1372128029.db2.gz RRCQFWRRGZGOOH-IBGZPJMESA-N 1 0 346.496 3.103 20 10 EGCDRO CCc1ccccc1CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130147720 1373462167 /nfs/dbraw/zinc/46/21/67/1373462167.db2.gz NMENECUMQZDFKO-UHFFFAOYSA-N 1 0 340.467 3.015 20 10 EGCDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001218026426 1373541071 /nfs/dbraw/zinc/54/10/71/1373541071.db2.gz YXYULWCEAWGZIO-SUMWQHHRSA-N 1 0 335.403 3.229 20 10 EGCDRO O=C1C=CC(=NNc2ccc(O[C@H]3C[C@H]4C[NH2+]CCN4C3)cc2)C=C1 ZINC001218078137 1373555515 /nfs/dbraw/zinc/55/55/15/1373555515.db2.gz IQBDRFCJNPAWDK-LPHOPBHVSA-N 1 0 338.411 3.233 20 10 EGCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001218147033 1373569303 /nfs/dbraw/zinc/56/93/03/1373569303.db2.gz ISGSQBXHEWPWBR-CAYVGHNUSA-N 1 0 347.414 3.229 20 10 EGCDRO C/C=C(\C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001225623658 1375133988 /nfs/dbraw/zinc/13/39/88/1375133988.db2.gz WCXIGNCDFWJMIM-HHEQTWLRSA-N 1 0 330.472 3.487 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC001326971550 1388359229 /nfs/dbraw/zinc/35/92/29/1388359229.db2.gz XVUQKFDXMKHWHB-VCBZYWHSSA-N 1 0 330.472 3.486 20 10 EGCDRO COCC[NH+](CCOC)Cc1ccc(OCc2ccccc2)cc1O ZINC001231465467 1376247324 /nfs/dbraw/zinc/24/73/24/1376247324.db2.gz BPQLFUULTKGNGT-UHFFFAOYSA-N 1 0 345.439 3.066 20 10 EGCDRO COc1cccc(CCC[N@H+](C)Cc2cc(OC)c(O)cc2O)c1 ZINC001231637945 1376289595 /nfs/dbraw/zinc/28/95/95/1376289595.db2.gz UTIUITTWQQGEKV-UHFFFAOYSA-N 1 0 331.412 3.180 20 10 EGCDRO Cc1cc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001231845384 1376325902 /nfs/dbraw/zinc/32/59/02/1376325902.db2.gz XVYQXZDKOMXJLT-WBVHZDCISA-N 1 0 346.471 3.450 20 10 EGCDRO CCN1CCC2(CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)C1=O ZINC001231870218 1376331331 /nfs/dbraw/zinc/33/13/31/1376331331.db2.gz ODZGFKXOELYXEB-UHFFFAOYSA-N 1 0 336.863 3.188 20 10 EGCDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202585 1376417410 /nfs/dbraw/zinc/41/74/10/1376417410.db2.gz BSPVWWQRANQVHT-MRXNPFEDSA-N 1 0 338.879 3.178 20 10 EGCDRO C[N@@H+](Cc1c([O-])cc(Br)cc1F)CC1CC[NH+](C)CC1 ZINC001233030749 1376557188 /nfs/dbraw/zinc/55/71/88/1376557188.db2.gz MBANYQCAEBHZJV-UHFFFAOYSA-N 1 0 345.256 3.067 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC001233284329 1376603233 /nfs/dbraw/zinc/60/32/33/1376603233.db2.gz QOZIARPMUTXITF-INIZCTEOSA-N 1 0 331.378 3.436 20 10 EGCDRO Oc1ccc(F)c(F)c1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001233335075 1376617681 /nfs/dbraw/zinc/61/76/81/1376617681.db2.gz GMBLWHABBAJFHI-HZPDHXFCSA-N 1 0 344.405 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC(F)F)cc1C ZINC001135016819 1376847869 /nfs/dbraw/zinc/84/78/69/1376847869.db2.gz OSWSNXIKJXOFEY-UONOGXRCSA-N 1 0 342.430 3.422 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001235814348 1376897303 /nfs/dbraw/zinc/89/73/03/1376897303.db2.gz KNYIDCYNRFXBCZ-MRXNPFEDSA-N 1 0 338.785 3.470 20 10 EGCDRO [NH3+]CCN(Cc1ccc(O)c(O)c1)Cc1ccc(Cl)cc1Cl ZINC001235885195 1376911186 /nfs/dbraw/zinc/91/11/86/1376911186.db2.gz BHXOBUSFVLQHIB-UHFFFAOYSA-N 1 0 341.238 3.366 20 10 EGCDRO CC(C)(C)c1cccc(CN2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)c1O ZINC001235900749 1376913628 /nfs/dbraw/zinc/91/36/28/1376913628.db2.gz RUYIXCKGRSZLRP-OLZOCXBDSA-N 1 0 330.394 3.401 20 10 EGCDRO CCN(Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CC[NH2+]C1 ZINC001235969375 1376924218 /nfs/dbraw/zinc/92/42/18/1376924218.db2.gz CDIXVSVIHWQXIC-CQSZACIVSA-N 1 0 349.272 3.492 20 10 EGCDRO c1c(CN(C2CC2)[C@@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236241096 1376944249 /nfs/dbraw/zinc/94/42/49/1376944249.db2.gz RGADGRNWOOGXIT-HXUWFJFHSA-N 1 0 325.500 3.102 20 10 EGCDRO c1cc(N2CCOCC2)ccc1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653122 1376958527 /nfs/dbraw/zinc/95/85/27/1376958527.db2.gz ONVYHDPUGFKJPX-NRFANRHFSA-N 1 0 343.515 3.020 20 10 EGCDRO C[N@H+](CCc1ccccn1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237051266 1376971496 /nfs/dbraw/zinc/97/14/96/1376971496.db2.gz JFANMFNPIMSGOP-UHFFFAOYSA-N 1 0 340.345 3.403 20 10 EGCDRO COCC1CC[NH+](Cc2c(O)cc(OC)cc2Br)CC1 ZINC001237061618 1376973344 /nfs/dbraw/zinc/97/33/44/1376973344.db2.gz GUNOLYYSRJXKGW-UHFFFAOYSA-N 1 0 344.249 3.022 20 10 EGCDRO CC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237058214 1376974127 /nfs/dbraw/zinc/97/41/27/1376974127.db2.gz WYVTUZZJBYZJPO-UHFFFAOYSA-N 1 0 331.334 3.134 20 10 EGCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141395 1376976071 /nfs/dbraw/zinc/97/60/71/1376976071.db2.gz WIVKHKILBLIYAA-ZYHUDNBSSA-N 1 0 331.334 3.042 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)cc1Br ZINC001237676469 1376983416 /nfs/dbraw/zinc/98/34/16/1376983416.db2.gz IMOKBLHDPUNFLZ-ABAIWWIYSA-N 1 0 328.250 3.056 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)c2cc(C)oc2C)cc1C ZINC001135364046 1377055098 /nfs/dbraw/zinc/05/50/98/1377055098.db2.gz SWWWRLZWETYHSX-HNNXBMFYSA-N 1 0 344.455 3.223 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246820547 1377055290 /nfs/dbraw/zinc/05/52/90/1377055290.db2.gz GWEQKNABRKXPTO-BEFAXECRSA-N 1 0 341.499 3.322 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2ccco2)cc1C ZINC001135720999 1377194200 /nfs/dbraw/zinc/19/42/00/1377194200.db2.gz QKGPTUKOYVBTII-JKSUJKDBSA-N 1 0 344.455 3.212 20 10 EGCDRO CC[C@]1(C(C)C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001136087983 1377338573 /nfs/dbraw/zinc/33/85/73/1377338573.db2.gz RKFUMPCIEMULJY-FXAWDEMLSA-N 1 0 332.488 3.282 20 10 EGCDRO Oc1cccc(F)c1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001137841849 1377629168 /nfs/dbraw/zinc/62/91/68/1377629168.db2.gz XLSCMNZNGDPBAA-VQIMIIECSA-N 1 0 326.415 3.238 20 10 EGCDRO Cc1c(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c2ccccc2n1C ZINC001138259681 1377694716 /nfs/dbraw/zinc/69/47/16/1377694716.db2.gz LZDGOTDQESATQW-OAHLLOKOSA-N 1 0 340.402 3.069 20 10 EGCDRO COCCCC[NH+]1CCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138259906 1377694760 /nfs/dbraw/zinc/69/47/60/1377694760.db2.gz QQGHVNATACVJAH-UHFFFAOYSA-N 1 0 329.488 3.031 20 10 EGCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354301 1377708611 /nfs/dbraw/zinc/70/86/11/1377708611.db2.gz DJJRAHHKGYMRAM-MRXNPFEDSA-N 1 0 330.472 3.234 20 10 EGCDRO CCN(CC)c1ccc(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c(OC)c1 ZINC001138390394 1377714314 /nfs/dbraw/zinc/71/43/14/1377714314.db2.gz VLVWNSGBUXSTFP-APWZRJJASA-N 1 0 331.504 3.067 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c(OC)c1 ZINC001138392545 1377715974 /nfs/dbraw/zinc/71/59/74/1377715974.db2.gz ZRFDFKLSGSDXFX-GOSISDBHSA-N 1 0 348.487 3.269 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cnc2[nH]ccc2c1 ZINC001138739076 1377776282 /nfs/dbraw/zinc/77/62/82/1377776282.db2.gz GUPBNPGUTWWRMC-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccccc1N1CCC(O)CC1 ZINC001138761856 1377781220 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3.020 20 10 EGCDRO Oc1ccc(F)cc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001140060442 1377998576 /nfs/dbraw/zinc/99/85/76/1377998576.db2.gz WBNOYUNYGCJVGW-QFBILLFUSA-N 1 0 326.415 3.238 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140060308 1377998630 /nfs/dbraw/zinc/99/86/30/1377998630.db2.gz UZWVBMCWLCXEBW-DOMZBBRYSA-N 1 0 338.423 3.266 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001140103714 1378008543 /nfs/dbraw/zinc/00/85/43/1378008543.db2.gz SNBNHNOGGNKOGQ-ZDUSSCGKSA-N 1 0 348.187 3.155 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)c1O ZINC001140180593 1378027330 /nfs/dbraw/zinc/02/73/30/1378027330.db2.gz JGFUXXFARKFRCA-UHFFFAOYSA-N 1 0 342.483 3.376 20 10 EGCDRO Cc1ccc(C)c(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC001140185390 1378028364 /nfs/dbraw/zinc/02/83/64/1378028364.db2.gz UNBNAIKXGJPABD-UHFFFAOYSA-N 1 0 334.460 3.356 20 10 EGCDRO COc1ccc(OC2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)nc1 ZINC001140185178 1378028396 /nfs/dbraw/zinc/02/83/96/1378028396.db2.gz RAJOVXLWSNXJHN-UHFFFAOYSA-N 1 0 342.439 3.456 20 10 EGCDRO Cc1cncnc1O[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342336 1378050033 /nfs/dbraw/zinc/05/00/33/1378050033.db2.gz DWOIHAIEBUXXBQ-ZDUSSCGKSA-N 1 0 333.819 3.187 20 10 EGCDRO Cc1cc(OC2CC[NH+](Cc3ccc(Cl)cc3O)CC2)ncn1 ZINC001140464218 1378066474 /nfs/dbraw/zinc/06/64/74/1378066474.db2.gz HFOJBGSJQJWGRL-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140466072 1378067994 /nfs/dbraw/zinc/06/79/94/1378067994.db2.gz WARJYVKZHFARNY-UHFFFAOYSA-N 1 0 340.851 3.392 20 10 EGCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140467256 1378068968 /nfs/dbraw/zinc/06/89/68/1378068968.db2.gz SGUVVPWHDTWTQX-KRWDZBQOSA-N 1 0 338.879 3.121 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)c1 ZINC001140619706 1378099808 /nfs/dbraw/zinc/09/98/08/1378099808.db2.gz LMTOVCNCRQVDIW-IRXDYDNUSA-N 1 0 328.481 3.326 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN(c3nccc4ccccc43)CC2)c1O ZINC001140745811 1378128585 /nfs/dbraw/zinc/12/85/85/1378128585.db2.gz NPHTYEDOKZAKDJ-UHFFFAOYSA-N 1 0 349.434 3.277 20 10 EGCDRO Cc1c(O)ccc(C[NH+](CCOC(C)C)CCOC(C)C)c1O ZINC001140745327 1378128623 /nfs/dbraw/zinc/12/86/23/1378128623.db2.gz FVOCCYHGRIHPDN-UHFFFAOYSA-N 1 0 325.449 3.058 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1O ZINC001140749782 1378129680 /nfs/dbraw/zinc/12/96/80/1378129680.db2.gz MTUADMDZXOSZAT-UHFFFAOYSA-N 1 0 346.471 3.067 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3ncccn3)CC2)c(O)c1 ZINC001140855535 1378158100 /nfs/dbraw/zinc/15/81/00/1378158100.db2.gz DMHZFZDYVKFRKJ-UHFFFAOYSA-N 1 0 340.471 3.408 20 10 EGCDRO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3Cl)C2)o1 ZINC001140926933 1378183038 /nfs/dbraw/zinc/18/30/38/1378183038.db2.gz ZUMLIJBLOQCCMK-AWEZNQCLSA-N 1 0 334.851 3.477 20 10 EGCDRO COc1ccc(CC[N@@H+](Cc2ccc(C)cc2O)C[C@@H](C)O)cc1 ZINC001140948325 1378188199 /nfs/dbraw/zinc/18/81/99/1378188199.db2.gz DVQWXPKXCYCKHD-MRXNPFEDSA-N 1 0 329.440 3.135 20 10 EGCDRO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c(O)c1 ZINC001140947976 1378188538 /nfs/dbraw/zinc/18/85/38/1378188538.db2.gz ODPFWKQXUUNPCU-HNNXBMFYSA-N 1 0 334.460 3.389 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c(O)c1 ZINC001140949768 1378190118 /nfs/dbraw/zinc/19/01/18/1378190118.db2.gz KLWPLIIHVIBHIQ-UHFFFAOYSA-N 1 0 346.434 3.153 20 10 EGCDRO c1cc2c(cc1N1CCCC3(C[NH+](C4CCCC4)C3)C1)OCCO2 ZINC001277014877 1378200134 /nfs/dbraw/zinc/20/01/34/1378200134.db2.gz WXGUTVOVWMTVAF-UHFFFAOYSA-N 1 0 328.456 3.303 20 10 EGCDRO OCC[C@H]1CC12CC[NH+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141075291 1378232642 /nfs/dbraw/zinc/23/26/42/1378232642.db2.gz LVQALWKCNBXQLL-FQEVSTJZSA-N 1 0 340.511 3.370 20 10 EGCDRO C[N@H+](C1CC1)C1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078542 1378234076 /nfs/dbraw/zinc/23/40/76/1378234076.db2.gz ZXYZZHMIOSLUKO-UHFFFAOYSA-N 1 0 339.527 3.444 20 10 EGCDRO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCC2(C1)OCCO2 ZINC001141077959 1378234390 /nfs/dbraw/zinc/23/43/90/1378234390.db2.gz GNGYPFGYLKSWDS-IBGZPJMESA-N 1 0 342.483 3.113 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)c1OC ZINC001141145659 1378248467 /nfs/dbraw/zinc/24/84/67/1378248467.db2.gz XRAZZQNXHHVEOZ-UHFFFAOYSA-N 1 0 342.439 3.164 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)cc1OC ZINC001141142787 1378249042 /nfs/dbraw/zinc/24/90/42/1378249042.db2.gz BDJCAQRKSYSSEP-UHFFFAOYSA-N 1 0 342.439 3.164 20 10 EGCDRO C[C@@H]1CN(Cc2cc(O)ccc2O)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001141156107 1378252922 /nfs/dbraw/zinc/25/29/22/1378252922.db2.gz FOBLYXUHJIDJPI-CVEARBPZSA-N 1 0 326.440 3.193 20 10 EGCDRO Oc1ccc(O)c(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c1 ZINC001141161841 1378254505 /nfs/dbraw/zinc/25/45/05/1378254505.db2.gz ZZAUVKMCCCZXEG-FQEVSTJZSA-N 1 0 338.451 3.293 20 10 EGCDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141163258 1378256566 /nfs/dbraw/zinc/25/65/66/1378256566.db2.gz XOGRHUGHUXHFTQ-MRXNPFEDSA-N 1 0 341.407 3.053 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3cccc(N(C)C)c3)CC2)cc1 ZINC001141269994 1378287553 /nfs/dbraw/zinc/28/75/53/1378287553.db2.gz ALNFKSOWHMHTIR-UHFFFAOYSA-N 1 0 339.483 3.474 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)c(OC)n1 ZINC001327532290 1388553218 /nfs/dbraw/zinc/55/32/18/1388553218.db2.gz JTCZAAPXYUVSOB-GXTWGEPZSA-N 1 0 328.412 3.451 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3ccnc4[nH]ccc43)CC2)cc1 ZINC001142884100 1378504509 /nfs/dbraw/zinc/50/45/09/1378504509.db2.gz WBDMRSRTVVAXAS-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1O ZINC001143112124 1378542166 /nfs/dbraw/zinc/54/21/66/1378542166.db2.gz LOZSBWJZFBUTLJ-UHFFFAOYSA-N 1 0 332.444 3.154 20 10 EGCDRO CCN1CCC([N@H+](C)Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144299569 1378713293 /nfs/dbraw/zinc/71/32/93/1378713293.db2.gz ANQVCUBQGDJWQX-UHFFFAOYSA-N 1 0 345.256 3.210 20 10 EGCDRO CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146662470 1378892528 /nfs/dbraw/zinc/89/25/28/1378892528.db2.gz GVYUUMXYFAUVPX-QWHCGFSZSA-N 1 0 333.436 3.136 20 10 EGCDRO COc1cccnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155630117 1380476134 /nfs/dbraw/zinc/47/61/34/1380476134.db2.gz RJXXZFKXRZCSKA-JRBPQWBISA-N 1 0 339.483 3.490 20 10 EGCDRO c1cc2ncnc(N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c2[nH]1 ZINC001155629291 1380476150 /nfs/dbraw/zinc/47/61/50/1380476150.db2.gz FGGQUBRKFJBQEU-IXIUHKBRSA-N 1 0 349.482 3.357 20 10 EGCDRO COc1ccnc(Cl)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156658433 1380605954 /nfs/dbraw/zinc/60/59/54/1380605954.db2.gz CKTXTABRRYZFGE-UHFFFAOYSA-N 1 0 346.862 3.108 20 10 EGCDRO COCCOC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CCOCC1 ZINC001328091329 1388668926 /nfs/dbraw/zinc/66/89/26/1388668926.db2.gz NQXMDRBXUPKLHT-JKSUJKDBSA-N 1 0 349.471 3.051 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1CCCC[NH2+]C1 ZINC001157436138 1380896167 /nfs/dbraw/zinc/89/61/67/1380896167.db2.gz ZMYVPLAIKRTNCC-KDOFPFPSSA-N 1 0 330.472 3.138 20 10 EGCDRO c1ccc(O[C@@H]2CCC[NH2+]C2)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001160234722 1382042844 /nfs/dbraw/zinc/04/28/44/1382042844.db2.gz YAGGEJBWULGNDL-OAHLLOKOSA-N 1 0 325.412 3.365 20 10 EGCDRO [NH3+][C@@H](Cc1cccc2ccccc21)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872385 1382220703 /nfs/dbraw/zinc/22/07/03/1382220703.db2.gz LCAYTHAVONQWJI-FQEVSTJZSA-N 1 0 346.430 3.000 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCNc3ccc(O)cc3)CC2)cc1 ZINC001164334059 1383178520 /nfs/dbraw/zinc/17/85/20/1383178520.db2.gz KIUQDPJMXAGRMF-UHFFFAOYSA-N 1 0 341.455 3.025 20 10 EGCDRO CN(C)c1cc(F)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167431144 1383631664 /nfs/dbraw/zinc/63/16/64/1383631664.db2.gz JKBQPPYHFDSEQV-UHFFFAOYSA-N 1 0 342.462 3.256 20 10 EGCDRO Cc1nc2[nH]ccc2cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434471 1383632740 /nfs/dbraw/zinc/63/27/40/1383632740.db2.gz LQPQHNPGEIXNIG-UHFFFAOYSA-N 1 0 335.455 3.187 20 10 EGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC001170307541 1384287153 /nfs/dbraw/zinc/28/71/53/1384287153.db2.gz HFHZWLLMPUXODI-ZDUSSCGKSA-N 1 0 342.395 3.259 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)c2ccccc2)cc1C ZINC001171423927 1384520732 /nfs/dbraw/zinc/52/07/32/1384520732.db2.gz ZHVHQKDBQOXFDD-KRWDZBQOSA-N 1 0 340.467 3.403 20 10 EGCDRO Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001171549347 1384559517 /nfs/dbraw/zinc/55/95/17/1384559517.db2.gz KMATVBLACBRHFS-FQEVSTJZSA-N 1 0 336.479 3.479 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)n2cccc2)cc1C ZINC001171610242 1384579172 /nfs/dbraw/zinc/57/91/72/1384579172.db2.gz MJXKDJBNDJGECO-QGZVFWFLSA-N 1 0 343.471 3.052 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(C)cc2)cc1C ZINC001171883037 1384670751 /nfs/dbraw/zinc/67/07/51/1384670751.db2.gz SLMZVILJORKHMK-UHFFFAOYSA-N 1 0 326.440 3.222 20 10 EGCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001172590009 1384815905 /nfs/dbraw/zinc/81/59/05/1384815905.db2.gz CDMCPPRVJOMOTI-MSOLQXFVSA-N 1 0 330.472 3.498 20 10 EGCDRO COC(=O)[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001172615710 1384820337 /nfs/dbraw/zinc/82/03/37/1384820337.db2.gz HJEOMRBXXFPOQM-PKOBYXMFSA-N 1 0 330.472 3.450 20 10 EGCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001172768214 1384847241 /nfs/dbraw/zinc/84/72/41/1384847241.db2.gz PQDYVKDQGAEMFH-ZWKOTPCHSA-N 1 0 330.472 3.498 20 10 EGCDRO C[N@H+](Cc1ccccc1O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173005805 1384897146 /nfs/dbraw/zinc/89/71/46/1384897146.db2.gz GFVJQCNJEMKVDR-UHFFFAOYSA-N 1 0 342.414 3.268 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001174791970 1385149718 /nfs/dbraw/zinc/14/97/18/1385149718.db2.gz NLADMEVMDAVYGJ-ZVZYQTTQSA-N 1 0 332.488 3.424 20 10 EGCDRO CC[C@H]([NH2+]Cc1c(O)cccc1Br)C1CCOCC1 ZINC001329139506 1388987037 /nfs/dbraw/zinc/98/70/37/1388987037.db2.gz GBNNQZLCNOCIMO-AWEZNQCLSA-N 1 0 328.250 3.450 20 10 EGCDRO CN(CCN(C)c1ccc(Nc2[nH]cc[nH+]2)cc1)c1ccc(N)cc1 ZINC001176091242 1385481719 /nfs/dbraw/zinc/48/17/19/1385481719.db2.gz WNGSDGZPVXZETP-UHFFFAOYSA-N 1 0 336.443 3.308 20 10 EGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319946677 1386409730 /nfs/dbraw/zinc/40/97/30/1386409730.db2.gz CMMOQYNGIMYDLZ-IBGZPJMESA-N 1 0 343.515 3.415 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1O ZINC001320047952 1386474559 /nfs/dbraw/zinc/47/45/59/1386474559.db2.gz PKWOXGJGQBQEOE-UHFFFAOYSA-N 1 0 335.835 3.396 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccsc1 ZINC001321395201 1386893421 /nfs/dbraw/zinc/89/34/21/1386893421.db2.gz BKJIEYKMSXACIN-CQSZACIVSA-N 1 0 333.476 3.490 20 10 EGCDRO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001182009549 1387094031 /nfs/dbraw/zinc/09/40/31/1387094031.db2.gz CIVJILIZSKQXCF-HXUWFJFHSA-N 1 0 335.451 3.144 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)c1 ZINC001322224985 1387110202 /nfs/dbraw/zinc/11/02/02/1387110202.db2.gz BFUYMFHFUFYXOS-UHFFFAOYSA-N 1 0 342.317 3.027 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC1(O)CCCCC1 ZINC001336735532 1389151407 /nfs/dbraw/zinc/15/14/07/1389151407.db2.gz FYHPFMVEWTWZFU-HXUWFJFHSA-N 1 0 346.515 3.213 20 10 EGCDRO C[C@@H]1C[C@H](CC[NH2+]Cc2c(O)cccc2Br)CCO1 ZINC001329723758 1389210056 /nfs/dbraw/zinc/21/00/56/1389210056.db2.gz XSHOWCYZIRUWEY-VXGBXAGGSA-N 1 0 328.250 3.450 20 10 EGCDRO Cc1nnc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)n1C ZINC001330364509 1389398932 /nfs/dbraw/zinc/39/89/32/1389398932.db2.gz XENPZVMXCGMTFT-SFHVURJKSA-N 1 0 336.439 3.293 20 10 EGCDRO COc1cc(C)cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1O ZINC001332689986 1390153735 /nfs/dbraw/zinc/15/37/35/1390153735.db2.gz GHHOZFUYLXNTOL-QGZVFWFLSA-N 1 0 331.412 3.483 20 10 EGCDRO C[C@H]1CCc2ccccc2N1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC001341803567 1390531351 /nfs/dbraw/zinc/53/13/51/1390531351.db2.gz YPTNKUUJTFLYNG-AWEZNQCLSA-N 1 0 340.423 3.052 20 10 EGCDRO C[C@@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccc(N(C)C)cc1 ZINC001335554829 1390702731 /nfs/dbraw/zinc/70/27/31/1390702731.db2.gz AIYUXHYNWHFQGD-GPMSIDNRSA-N 1 0 346.519 3.363 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2ccsc2C)cc1C ZINC001752904719 1440243834 /nfs/dbraw/zinc/24/38/34/1440243834.db2.gz YBUWWNVAFCRPED-CQSZACIVSA-N 1 0 346.496 3.211 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cnc(C)s2)cc1C ZINC001753002363 1440264934 /nfs/dbraw/zinc/26/49/34/1440264934.db2.gz GBDYJCFNCHFGSX-CYBMUJFWSA-N 1 0 347.484 3.067 20 10 EGCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(F)ccc1O ZINC000825318883 947151773 /nfs/dbraw/zinc/15/17/73/947151773.db2.gz STIMZPGWBNCXMO-UHFFFAOYSA-N 1 0 341.390 3.124 20 10 EGCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428732 947186217 /nfs/dbraw/zinc/18/62/17/947186217.db2.gz SNKMMNRNZWBNPV-GFCCVEGCSA-N 1 0 341.390 3.295 20 10 EGCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000873190656 1126118132 /nfs/dbraw/zinc/11/81/32/1126118132.db2.gz BVKBEYAVPGKHIC-HXUWFJFHSA-N 1 0 329.440 3.101 20 10 EGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Cl)ccc1O ZINC000285677742 455894434 /nfs/dbraw/zinc/89/44/34/455894434.db2.gz NKWSWCBWQXFXEJ-NSHDSACASA-N 1 0 331.865 3.054 20 10 EGCDRO Fc1cc(C[NH2+]Cc2cccc3cc[nH]c32)ccc1N1CCOCC1 ZINC000237851968 455225771 /nfs/dbraw/zinc/22/57/71/455225771.db2.gz LBRMGMAURNHQHM-UHFFFAOYSA-N 1 0 339.414 3.433 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157843195 455239108 /nfs/dbraw/zinc/23/91/08/455239108.db2.gz IWENONGLGCNNIE-ZTQAJYAQSA-N 1 0 348.462 3.271 20 10 EGCDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183169735 455242745 /nfs/dbraw/zinc/24/27/45/455242745.db2.gz HFKDXNBJTRABFL-WBVHZDCISA-N 1 0 327.424 3.174 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000180840217 455253273 /nfs/dbraw/zinc/25/32/73/455253273.db2.gz UCWKHXJXQYYIPF-INIZCTEOSA-N 1 0 325.460 3.128 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccccc1F)C[C@@H]1CCCO1 ZINC000264730248 455271586 /nfs/dbraw/zinc/27/15/86/455271586.db2.gz QWOJCCYEAYPPHI-OXJNMPFZSA-N 1 0 345.414 3.246 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)o1 ZINC000183392798 455287140 /nfs/dbraw/zinc/28/71/40/455287140.db2.gz PCWIDSWHZCERSC-NVXWUHKLSA-N 1 0 330.428 3.018 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1O ZINC000183589907 455309043 /nfs/dbraw/zinc/30/90/43/455309043.db2.gz DDURDESRZQLRNG-RYUDHWBXSA-N 1 0 332.350 3.127 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCc1cccs1 ZINC000076074355 453958472 /nfs/dbraw/zinc/95/84/72/453958472.db2.gz LONKCSSGJXCOLO-AWEZNQCLSA-N 1 0 332.469 3.371 20 10 EGCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000076548158 454014057 /nfs/dbraw/zinc/01/40/57/454014057.db2.gz XPNQBEOEBWJCPV-FQEVSTJZSA-N 1 0 344.430 3.080 20 10 EGCDRO CC(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000045463899 454161788 /nfs/dbraw/zinc/16/17/88/454161788.db2.gz PVWKCRRUNPEXHW-UHFFFAOYSA-N 1 0 346.519 3.014 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)ccc1SC ZINC000058540806 454213379 /nfs/dbraw/zinc/21/33/79/454213379.db2.gz GZQPMRPQGBTWEU-UHFFFAOYSA-N 1 0 347.436 3.483 20 10 EGCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](c2ccsc2)O1 ZINC000120021699 454247901 /nfs/dbraw/zinc/24/79/01/454247901.db2.gz CZXBBQHYJKWCRH-PIGZYNQJSA-N 1 0 333.409 3.144 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000131579441 454266274 /nfs/dbraw/zinc/26/62/74/454266274.db2.gz LLLOLCKKNUFKCL-OAHLLOKOSA-N 1 0 346.496 3.148 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1O ZINC000184701540 455431849 /nfs/dbraw/zinc/43/18/49/455431849.db2.gz KDCPEJJHKKRRMI-AWEZNQCLSA-N 1 0 335.835 3.297 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C[C@@H](O)c3ccco3)CC2)cc1 ZINC000120853964 454357216 /nfs/dbraw/zinc/35/72/16/454357216.db2.gz ZRKFFGRXVQNJHR-HNAYVOBHSA-N 1 0 344.455 3.359 20 10 EGCDRO CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000121087578 454389967 /nfs/dbraw/zinc/38/99/67/454389967.db2.gz JEHDDAJEWMJMSI-QGZVFWFLSA-N 1 0 333.453 3.297 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000091895099 454486098 /nfs/dbraw/zinc/48/60/98/454486098.db2.gz FOOAPVVYRNNGFV-UHFFFAOYSA-N 1 0 339.435 3.441 20 10 EGCDRO COc1cccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c1O ZINC000092063605 454510305 /nfs/dbraw/zinc/51/03/05/454510305.db2.gz IKCHDNWFHLVHLJ-UHFFFAOYSA-N 1 0 335.831 3.439 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(C)ccc3O)CC2)s1 ZINC000092674053 454607493 /nfs/dbraw/zinc/60/74/93/454607493.db2.gz YBJIVFBTMGUJJR-UHFFFAOYSA-N 1 0 344.480 3.465 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)N(C)C)c1 ZINC000176980322 454807256 /nfs/dbraw/zinc/80/72/56/454807256.db2.gz ZCGULYVWPAOIKV-UGSOOPFHSA-N 1 0 332.419 3.493 20 10 EGCDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccccc2O)cccc1[N+](=O)[O-] ZINC000109772531 454836066 /nfs/dbraw/zinc/83/60/66/454836066.db2.gz FRHCDAZJHYBOMK-UHFFFAOYSA-N 1 0 343.383 3.069 20 10 EGCDRO CCOC(=O)N1CCC([NH2+][C@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000125691161 454839146 /nfs/dbraw/zinc/83/91/46/454839146.db2.gz DXMQNALIWJKJHE-GOSISDBHSA-N 1 0 333.476 3.414 20 10 EGCDRO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000163447835 454848482 /nfs/dbraw/zinc/84/84/82/454848482.db2.gz UOTXEVHWUNVSPW-UHFFFAOYSA-N 1 0 330.428 3.034 20 10 EGCDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000111236041 454859092 /nfs/dbraw/zinc/85/90/92/454859092.db2.gz WWUWDMGMOSVGES-INIZCTEOSA-N 1 0 326.440 3.180 20 10 EGCDRO Cn1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000126128176 454872909 /nfs/dbraw/zinc/87/29/09/454872909.db2.gz ABWXNHMLKKYLJA-OAHLLOKOSA-N 1 0 335.398 3.385 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000111884381 454877457 /nfs/dbraw/zinc/87/74/57/454877457.db2.gz AXSOUWNCOVLGIQ-QGZVFWFLSA-N 1 0 333.476 3.188 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000177578143 454879683 /nfs/dbraw/zinc/87/96/83/454879683.db2.gz HLXXLJLYYBFCQU-SJORKVTESA-N 1 0 340.471 3.092 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccnc1Cl ZINC000151062218 454932432 /nfs/dbraw/zinc/93/24/32/454932432.db2.gz MDFMEZDTBUIMMZ-CQSZACIVSA-N 1 0 331.847 3.422 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000170638591 454946388 /nfs/dbraw/zinc/94/63/88/454946388.db2.gz ZSHKBVSNQUQYFF-HNNXBMFYSA-N 1 0 334.460 3.356 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1O ZINC000154969718 454948831 /nfs/dbraw/zinc/94/88/31/454948831.db2.gz FHMATTABJASYNM-MSOLQXFVSA-N 1 0 344.455 3.408 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000178490807 454956613 /nfs/dbraw/zinc/95/66/13/454956613.db2.gz IDWDAOITDSXNBB-JKSUJKDBSA-N 1 0 347.478 3.478 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000179675075 455066157 /nfs/dbraw/zinc/06/61/57/455066157.db2.gz GQBOKBGBNFNUCI-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cccc(C)c3O)CC2)c1 ZINC000179675305 455066410 /nfs/dbraw/zinc/06/64/10/455066410.db2.gz ZGZZQRHNDYSATI-UHFFFAOYSA-N 1 0 338.451 3.357 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)cc1F ZINC000152140407 455077916 /nfs/dbraw/zinc/07/79/16/455077916.db2.gz LGPUGFHAXDRRMC-UHFFFAOYSA-N 1 0 335.467 3.209 20 10 EGCDRO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(F)ccc3O)CC2)c1 ZINC000179922646 455099617 /nfs/dbraw/zinc/09/96/17/455099617.db2.gz ULKNBJROOGKDLC-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000156831269 455152576 /nfs/dbraw/zinc/15/25/76/455152576.db2.gz WBQPMCIVECXSPW-QZTJIDSGSA-N 1 0 331.504 3.048 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1O ZINC000183524215 455302671 /nfs/dbraw/zinc/30/26/71/455302671.db2.gz HCKOGEHAXPVEBH-ZBEGNZNMSA-N 1 0 349.814 3.201 20 10 EGCDRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184904404 455469951 /nfs/dbraw/zinc/46/99/51/455469951.db2.gz XWIGECJQWRWLRJ-HNAYVOBHSA-N 1 0 344.430 3.255 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000246509224 455503593 /nfs/dbraw/zinc/50/35/93/455503593.db2.gz IBZPWEMWGOSHGS-LIRRHRJNSA-N 1 0 346.446 3.183 20 10 EGCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)cc1O ZINC000185122516 455506131 /nfs/dbraw/zinc/50/61/31/455506131.db2.gz GNPIYFBNBZGGPY-PZDALLCQSA-N 1 0 348.240 3.464 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(=O)NC(C)(C)C ZINC000185218104 455523682 /nfs/dbraw/zinc/52/36/82/455523682.db2.gz SFXWQTGOLXDEGN-UWVGGRQHSA-N 1 0 343.265 3.109 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836048 455523681 /nfs/dbraw/zinc/52/36/81/455523681.db2.gz USUNDLOVQRIQNW-PKOBYXMFSA-N 1 0 340.467 3.334 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161132124 455538376 /nfs/dbraw/zinc/53/83/76/455538376.db2.gz XRIMZLNVHBJKIZ-NXHRZFHOSA-N 1 0 349.494 3.186 20 10 EGCDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(F)ccc1O ZINC000185321962 455540074 /nfs/dbraw/zinc/54/00/74/455540074.db2.gz LXTRSRUNTRNKHO-ZDUSSCGKSA-N 1 0 332.423 3.133 20 10 EGCDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000185671424 455592957 /nfs/dbraw/zinc/59/29/57/455592957.db2.gz DZFPRTGQSRZETH-AWEZNQCLSA-N 1 0 340.423 3.053 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000271327511 455599852 /nfs/dbraw/zinc/59/98/52/455599852.db2.gz MMUUKOAXRAJJQJ-HNNXBMFYSA-N 1 0 342.443 3.166 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c(O)c1 ZINC000283964950 455616941 /nfs/dbraw/zinc/61/69/41/455616941.db2.gz GIGSKRABXZMMEA-OAHLLOKOSA-N 1 0 328.460 3.220 20 10 EGCDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000271583576 455691905 /nfs/dbraw/zinc/69/19/05/455691905.db2.gz VPWPGLZDQCZNJC-YJYMSZOUSA-N 1 0 331.412 3.275 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2OCC(F)F)c1 ZINC000186199230 455714827 /nfs/dbraw/zinc/71/48/27/455714827.db2.gz SPBKSLHTUQRICN-LLVKDONJSA-N 1 0 338.354 3.291 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000271723393 455734852 /nfs/dbraw/zinc/73/48/52/455734852.db2.gz OETIBFOMKHEOQO-RBSFLKMASA-N 1 0 340.414 3.414 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc1 ZINC000293029835 455771521 /nfs/dbraw/zinc/77/15/21/455771521.db2.gz PREWBJCPGSDRDN-LJQANCHMSA-N 1 0 325.456 3.239 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000293709617 455795044 /nfs/dbraw/zinc/79/50/44/455795044.db2.gz MQRRZSFSFMBRTH-QGZVFWFLSA-N 1 0 339.483 3.440 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000294223397 455808746 /nfs/dbraw/zinc/80/87/46/455808746.db2.gz LZVPSKJBKAEVLD-UHFFFAOYSA-N 1 0 339.439 3.154 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000269242477 455819053 /nfs/dbraw/zinc/81/90/53/455819053.db2.gz CSVJMSQXFBOVKR-KDOFPFPSSA-N 1 0 325.456 3.212 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2cccc(C(F)(F)F)n2)cc1OC ZINC000294766678 455826837 /nfs/dbraw/zinc/82/68/37/455826837.db2.gz JTOJFCXLYNIPKK-UHFFFAOYSA-N 1 0 342.317 3.113 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cc(Cl)ccc1O ZINC000278564774 455839906 /nfs/dbraw/zinc/83/99/06/455839906.db2.gz WXCSFDUTUSYEIM-GXTWGEPZSA-N 1 0 334.851 3.099 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cnc(OC)c(Cl)c2)c1O ZINC000295139604 455841362 /nfs/dbraw/zinc/84/13/62/455841362.db2.gz ZPXIKHVDHRVJEL-UHFFFAOYSA-N 1 0 343.210 3.401 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2cnn(CC(F)F)c2)C2CC2)cc1 ZINC000295343327 455846981 /nfs/dbraw/zinc/84/69/81/455846981.db2.gz MTOHFQSCIHPADR-UHFFFAOYSA-N 1 0 334.414 3.379 20 10 EGCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(OC)CC3)cc2)cn1 ZINC000295933747 455863060 /nfs/dbraw/zinc/86/30/60/455863060.db2.gz GCPFYSFTFNNZLN-MRXNPFEDSA-N 1 0 342.487 3.369 20 10 EGCDRO CC[C@@H]([NH2+]CCCNC(=O)c1occc1C)c1ccc(C)cc1O ZINC000279947620 455878141 /nfs/dbraw/zinc/87/81/41/455878141.db2.gz BNSNUIOXGMOSOJ-MRXNPFEDSA-N 1 0 330.428 3.463 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000279965345 455878856 /nfs/dbraw/zinc/87/88/56/455878856.db2.gz PJUUPNHJFGYCBD-ZDUSSCGKSA-N 1 0 341.421 3.345 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000187194050 455879858 /nfs/dbraw/zinc/87/98/58/455879858.db2.gz GLXJMSIMINEQNZ-HNNXBMFYSA-N 1 0 346.471 3.215 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccc(C)cc1O ZINC000280113379 455895181 /nfs/dbraw/zinc/89/51/81/455895181.db2.gz NTKQRHJDFMRACJ-SFHVURJKSA-N 1 0 343.423 3.493 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000280151477 455903652 /nfs/dbraw/zinc/90/36/52/455903652.db2.gz QFFGVSWEWSZRCL-LLVKDONJSA-N 1 0 325.455 3.098 20 10 EGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000280164534 455906929 /nfs/dbraw/zinc/90/69/29/455906929.db2.gz BEDQIWRZXRXJTM-RBUKOAKNSA-N 1 0 334.504 3.048 20 10 EGCDRO CC[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(C)cc1O ZINC000285838286 455927018 /nfs/dbraw/zinc/92/70/18/455927018.db2.gz YFPJBOUHIBVWDT-AWEZNQCLSA-N 1 0 338.249 3.401 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1C ZINC000270324145 455928235 /nfs/dbraw/zinc/92/82/35/455928235.db2.gz YZLJONFCAHDCJZ-IBGZPJMESA-N 1 0 338.451 3.142 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000187629583 455932346 /nfs/dbraw/zinc/93/23/46/455932346.db2.gz NCDFPRYSVKXREI-UHFFFAOYSA-N 1 0 344.308 3.200 20 10 EGCDRO Cc1cnccc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000296512335 455959226 /nfs/dbraw/zinc/95/92/26/455959226.db2.gz RPHDKQNYSVFVQQ-HZPDHXFCSA-N 1 0 343.446 3.433 20 10 EGCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1F ZINC000296508730 455959430 /nfs/dbraw/zinc/95/94/30/455959430.db2.gz RKLWUBXBKFPMGS-UHFFFAOYSA-N 1 0 332.394 3.400 20 10 EGCDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272672310 456034913 /nfs/dbraw/zinc/03/49/13/456034913.db2.gz UBMBDSKOSLKTES-DOTOQJQBSA-N 1 0 347.503 3.488 20 10 EGCDRO COC1CCN(c2ccc(CN(C)[C@H](C)C(=O)OC(C)C)cc2)CC1 ZINC000296810349 456043394 /nfs/dbraw/zinc/04/33/94/456043394.db2.gz QAFLNEOZBOBZHG-MRXNPFEDSA-N 1 0 348.487 3.074 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(Br)cc1O ZINC000287387537 456068417 /nfs/dbraw/zinc/06/84/17/456068417.db2.gz INYVFXJVRDIYFN-WOPDTQHZSA-N 1 0 328.250 3.478 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]CCCn1cc(Br)cn1 ZINC000288357178 456093136 /nfs/dbraw/zinc/09/31/36/456093136.db2.gz CQBXSNURBHKQKJ-UHFFFAOYSA-N 1 0 344.640 3.185 20 10 EGCDRO COc1cc(Cl)cc(CN(CC[NH+](C)C)Cc2ccco2)c1O ZINC000289379041 456122659 /nfs/dbraw/zinc/12/26/59/456122659.db2.gz CDRARKZSMMEQIS-UHFFFAOYSA-N 1 0 338.835 3.211 20 10 EGCDRO COCC[N@H+](CCc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000271125491 456133281 /nfs/dbraw/zinc/13/32/81/456133281.db2.gz ZOLXUBVSVJODMZ-UHFFFAOYSA-N 1 0 345.439 3.101 20 10 EGCDRO Cc1nnc(CC[NH2+][C@H](C)c2ccc(Br)cc2O)s1 ZINC000289621315 456134306 /nfs/dbraw/zinc/13/43/06/456134306.db2.gz DQFMDUQTYJMNRN-MRVPVSSYSA-N 1 0 342.262 3.208 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000273049494 456159452 /nfs/dbraw/zinc/15/94/52/456159452.db2.gz YDTNPEIPYDDVEB-YDGUKXNOSA-N 1 0 349.427 3.322 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1OC ZINC000281225486 456170906 /nfs/dbraw/zinc/17/09/06/456170906.db2.gz KRMXZTQXKFELBO-LLLHUVSDSA-N 1 0 349.471 3.171 20 10 EGCDRO COCC1(O)CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271213857 456176843 /nfs/dbraw/zinc/17/68/43/456176843.db2.gz ZPMUOBNGNRPNMC-UHFFFAOYSA-N 1 0 327.424 3.033 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c(O)c1C ZINC000273435177 456229746 /nfs/dbraw/zinc/22/97/46/456229746.db2.gz WTMUZGKBDNYIJW-OAHLLOKOSA-N 1 0 333.453 3.134 20 10 EGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000290070198 456231940 /nfs/dbraw/zinc/23/19/40/456231940.db2.gz FTCHIVJKEQLYSP-OAHLLOKOSA-N 1 0 328.250 3.139 20 10 EGCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000273441957 456232053 /nfs/dbraw/zinc/23/20/53/456232053.db2.gz YVZBHMPJFZAZQC-HNNXBMFYSA-N 1 0 342.439 3.066 20 10 EGCDRO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273439681 456232064 /nfs/dbraw/zinc/23/20/64/456232064.db2.gz YBXYLYNDZKOXSJ-LSDHHAIUSA-N 1 0 336.476 3.340 20 10 EGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C2 ZINC000273477751 456233879 /nfs/dbraw/zinc/23/38/79/456233879.db2.gz LCRXLNRGDXXNBJ-OCCSQVGLSA-N 1 0 329.396 3.064 20 10 EGCDRO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2)c1 ZINC000273612613 456241409 /nfs/dbraw/zinc/24/14/09/456241409.db2.gz WQHGXBNROQEIGC-GJZGRUSLSA-N 1 0 342.439 3.339 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c(C)n1-c1ccccn1 ZINC000274420601 456257706 /nfs/dbraw/zinc/25/77/06/456257706.db2.gz DGCVIRIMKBXQJA-KRWDZBQOSA-N 1 0 340.471 3.092 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCc2ccc3[nH]ccc3c2)cc1OC ZINC000281673909 456289692 /nfs/dbraw/zinc/28/96/92/456289692.db2.gz DOVJPVKAWAXVLR-UHFFFAOYSA-N 1 0 326.396 3.223 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C)c(C)c3O)CC2)n[nH]1 ZINC000275845236 456331159 /nfs/dbraw/zinc/33/11/59/456331159.db2.gz HNIWDBCTZBFACX-HNNXBMFYSA-N 1 0 328.460 3.360 20 10 EGCDRO O=C([C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1)N1CCCC1 ZINC000290499503 456345972 /nfs/dbraw/zinc/34/59/72/456345972.db2.gz PBJSCIVZQYVCNW-LJQANCHMSA-N 1 0 341.499 3.121 20 10 EGCDRO CSC1(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000290790299 456429883 /nfs/dbraw/zinc/42/98/83/456429883.db2.gz DAGRABNOIWDFOF-UHFFFAOYSA-N 1 0 334.529 3.271 20 10 EGCDRO CCCOc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)c(O)c1 ZINC000282362066 456491066 /nfs/dbraw/zinc/49/10/66/456491066.db2.gz WGMPIEXQLNTINQ-UHFFFAOYSA-N 1 0 347.484 3.396 20 10 EGCDRO Cc1csc(=O)n1CC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298702533 456521512 /nfs/dbraw/zinc/52/15/12/456521512.db2.gz HSMMYKMBAVDJSM-UHFFFAOYSA-N 1 0 333.501 3.195 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)c3cccs3)CC2)cc1 ZINC000305126319 456529248 /nfs/dbraw/zinc/52/92/48/456529248.db2.gz LHAHDDGCRDYQQG-IBGZPJMESA-N 1 0 346.496 3.223 20 10 EGCDRO CO[C@](C)(C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000291171788 456553371 /nfs/dbraw/zinc/55/33/71/456553371.db2.gz JZDNWONIORFCIM-AUUYWEPGSA-N 1 0 336.451 3.128 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)c1O ZINC000282571850 456556886 /nfs/dbraw/zinc/55/68/86/456556886.db2.gz ARZHBMZZNQAGJO-INIZCTEOSA-N 1 0 334.847 3.447 20 10 EGCDRO Fc1cc(C[NH2+][C@@H]2CCCC23CCOCC3)ccc1N1CCOCC1 ZINC000282583593 456560225 /nfs/dbraw/zinc/56/02/25/456560225.db2.gz GFHJYNLDHYJEIW-LJQANCHMSA-N 1 0 348.462 3.101 20 10 EGCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000282614834 456569721 /nfs/dbraw/zinc/56/97/21/456569721.db2.gz NUBSXJLXPWGGSF-MRXNPFEDSA-N 1 0 337.423 3.346 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C2CC2)cc1 ZINC000276840507 456596247 /nfs/dbraw/zinc/59/62/47/456596247.db2.gz SPTSHHZSGMCLCA-SFHVURJKSA-N 1 0 328.456 3.203 20 10 EGCDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000282931862 456667239 /nfs/dbraw/zinc/66/72/39/456667239.db2.gz HZYNRQFXIQSPCR-AWEZNQCLSA-N 1 0 345.830 3.442 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000277104287 456682642 /nfs/dbraw/zinc/68/26/42/456682642.db2.gz LUDCMYFPKNFGNR-INIZCTEOSA-N 1 0 339.487 3.252 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000349146126 456900934 /nfs/dbraw/zinc/90/09/34/456900934.db2.gz XVEZKJHWCMDIKO-UHFFFAOYSA-N 1 0 342.487 3.159 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)c1O ZINC000359955449 457171271 /nfs/dbraw/zinc/17/12/71/457171271.db2.gz IKEBQPBFGVUZPX-MRXNPFEDSA-N 1 0 332.831 3.331 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cc1 ZINC000363832461 457454142 /nfs/dbraw/zinc/45/41/42/457454142.db2.gz SDNNZWVESWQRHS-BEFAXECRSA-N 1 0 342.487 3.060 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000361536366 457777943 /nfs/dbraw/zinc/77/79/43/457777943.db2.gz STQYALLDBTYIID-CQSZACIVSA-N 1 0 337.876 3.256 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217166 457801160 /nfs/dbraw/zinc/80/11/60/457801160.db2.gz DSFUMCUDNPSHFM-IOMROCGXSA-N 1 0 343.515 3.191 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CCO3)CC2)c1O ZINC000367094253 457927481 /nfs/dbraw/zinc/92/74/81/457927481.db2.gz XKCLLRXFEXEZFP-UHFFFAOYSA-N 1 0 326.234 3.218 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000367726595 457976638 /nfs/dbraw/zinc/97/66/38/457976638.db2.gz SPJLEWKLNUKLTK-UHFFFAOYSA-N 1 0 330.472 3.315 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@H]2CCCO[C@H]21 ZINC000371799762 458079569 /nfs/dbraw/zinc/07/95/69/458079569.db2.gz TVEUOYJKQIPBNE-BPLDGKMQSA-N 1 0 340.261 3.448 20 10 EGCDRO CC(F)(F)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372943544 458355103 /nfs/dbraw/zinc/35/51/03/458355103.db2.gz SPNIWLOSULRQHP-CYBMUJFWSA-N 1 0 346.805 3.172 20 10 EGCDRO CC(C)c1cccc(N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c1 ZINC000592506687 459618144 /nfs/dbraw/zinc/61/81/44/459618144.db2.gz CSFGMPDDGFULQC-HNNXBMFYSA-N 1 0 326.444 3.119 20 10 EGCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCCCCc4ccccc43)c21 ZINC000592537154 459629593 /nfs/dbraw/zinc/62/95/93/459629593.db2.gz PKPRCGXBNYVIKG-MRXNPFEDSA-N 1 0 338.455 3.092 20 10 EGCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1cc2c(cc1O)CCCC2 ZINC000527999411 459791676 /nfs/dbraw/zinc/79/16/76/459791676.db2.gz KYRRIUASGMGPQV-ORAYPTAESA-N 1 0 336.435 3.485 20 10 EGCDRO Cc1cc(C(=O)NCC[N@@H+](C)C(C)C)c(C)n1-c1cccc(C)c1 ZINC000726195164 574544925 /nfs/dbraw/zinc/54/49/25/574544925.db2.gz UJIWYKBAICTBPN-UHFFFAOYSA-N 1 0 327.472 3.473 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000726707680 574567294 /nfs/dbraw/zinc/56/72/94/574567294.db2.gz FLXLYGZSCOSSPO-MOPGFXCFSA-N 1 0 345.531 3.376 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H](C)C3CC3)cc2F)CC1 ZINC000730194176 574940421 /nfs/dbraw/zinc/94/04/21/574940421.db2.gz KZHFRLFLUAWWNP-HNNXBMFYSA-N 1 0 347.478 3.020 20 10 EGCDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000734864690 575565015 /nfs/dbraw/zinc/56/50/15/575565015.db2.gz GXUKXZZRASNPQM-CYBMUJFWSA-N 1 0 330.453 3.409 20 10 EGCDRO CN(C)c1ccc(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC000735841712 575725280 /nfs/dbraw/zinc/72/52/80/575725280.db2.gz VUZYOEGJBKQONB-UHFFFAOYSA-N 1 0 346.434 3.243 20 10 EGCDRO Cc1cc(C(=O)CN2CCC[N@@H+](C)CC2)c(C)n1-c1cccc(F)c1 ZINC000737972673 576277429 /nfs/dbraw/zinc/27/74/29/576277429.db2.gz QJTOTIIBJQLDPE-UHFFFAOYSA-N 1 0 343.446 3.053 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000742246387 576762172 /nfs/dbraw/zinc/76/21/72/576762172.db2.gz ILBXABKVSDHGNV-IAGOWNOFSA-N 1 0 331.504 3.362 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000742377278 576776287 /nfs/dbraw/zinc/77/62/87/576776287.db2.gz RCAYOEHEOAQSKX-HOCLYGCPSA-N 1 0 333.432 3.100 20 10 EGCDRO Cc1nccc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000742406206 576780416 /nfs/dbraw/zinc/78/04/16/576780416.db2.gz GPSLMLBNICKAPE-HNNXBMFYSA-N 1 0 332.835 3.221 20 10 EGCDRO CC[C@]1(C)CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743860763 576817303 /nfs/dbraw/zinc/81/73/03/576817303.db2.gz TZZXPIXEBPLQLP-HXUWFJFHSA-N 1 0 331.504 3.223 20 10 EGCDRO CC[N@H+](CCOCC1CC1)Cc1cc(Br)ccc1O ZINC000743871073 576818038 /nfs/dbraw/zinc/81/80/38/576818038.db2.gz OYOSCIXHJASCRR-UHFFFAOYSA-N 1 0 328.250 3.403 20 10 EGCDRO CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829613867 600718056 /nfs/dbraw/zinc/71/80/56/600718056.db2.gz UXZXZOAPNOKPKP-CQSZACIVSA-N 1 0 342.439 3.017 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000691412737 1298133622 /nfs/dbraw/zinc/13/36/22/1298133622.db2.gz WQZHZEXASKUWPG-AWEZNQCLSA-N 1 0 334.213 3.248 20 10 EGCDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691440666 1298133850 /nfs/dbraw/zinc/13/38/50/1298133850.db2.gz SBTJAMYKHSVMEL-CYBMUJFWSA-N 1 0 327.266 3.117 20 10 EGCDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000877572950 1299407336 /nfs/dbraw/zinc/40/73/36/1299407336.db2.gz UWYNAPHDYNJUNU-VQTJNVASSA-N 1 0 344.499 3.037 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1ccc(C)cc1O ZINC000794803817 1309598467 /nfs/dbraw/zinc/59/84/67/1309598467.db2.gz SDVOSNYMBSZOPD-VQIMIIECSA-N 1 0 329.440 3.490 20 10 EGCDRO CCN(CC)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000063255897 1292005619 /nfs/dbraw/zinc/00/56/19/1292005619.db2.gz RZVGDDNKJBGLOY-QGZVFWFLSA-N 1 0 342.439 3.294 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000066699546 1292127451 /nfs/dbraw/zinc/12/74/51/1292127451.db2.gz FQMPEMUUFFBGEJ-DLBZAZTESA-N 1 0 347.503 3.434 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCNC(C)=O)cc1 ZINC000074231099 1292342115 /nfs/dbraw/zinc/34/21/15/1292342115.db2.gz PLNQDKUFMVKTQC-UHFFFAOYSA-N 1 0 339.483 3.329 20 10 EGCDRO Cc1cc(C[N@@H+](C)[C@H]2CCCCNC2=O)ccc1N1CCCCC1 ZINC000827680008 1292355963 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CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000108928914 1293084592 /nfs/dbraw/zinc/08/45/92/1293084592.db2.gz SCDWNXGBXAFJOR-MRXNPFEDSA-N 1 0 333.476 3.046 20 10 EGCDRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)ccc1OCCO ZINC000834530697 1293111875 /nfs/dbraw/zinc/11/18/75/1293111875.db2.gz JKNUZWBWIUGJHV-XJKSGUPXSA-N 1 0 343.423 3.110 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000113317362 1293146644 /nfs/dbraw/zinc/14/66/44/1293146644.db2.gz RIBUXVBPDUDULD-GOSISDBHSA-N 1 0 346.858 3.209 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc2ccccc2c1O ZINC000834851261 1293157466 /nfs/dbraw/zinc/15/74/66/1293157466.db2.gz WANUTPKDJVZUCV-NVXWUHKLSA-N 1 0 328.456 3.043 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c2c1c(F)ccc2O ZINC000834900507 1293170331 /nfs/dbraw/zinc/17/03/31/1293170331.db2.gz UEVBKPMFXAYBJL-CXUUEIJPSA-N 1 0 345.418 3.323 20 10 EGCDRO C[C@@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1cc2c(cc1O)CCCC2 ZINC000834903890 1293171252 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Oc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000132064018 1293707961 /nfs/dbraw/zinc/70/79/61/1293707961.db2.gz DFWVRYHFWWIFPZ-QGZVFWFLSA-N 1 0 348.240 3.078 20 10 EGCDRO Cc1cccc(NCC[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000133455872 1293745274 /nfs/dbraw/zinc/74/52/74/1293745274.db2.gz YLHONEYLYXLCJC-UHFFFAOYSA-N 1 0 336.233 3.060 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(COc3ccccc3)CC1)OCO2 ZINC000152018703 1293949894 /nfs/dbraw/zinc/94/98/94/1293949894.db2.gz OJYMTABUNZKMBM-UHFFFAOYSA-N 1 0 341.407 3.412 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000153845364 1294030146 /nfs/dbraw/zinc/03/01/46/1294030146.db2.gz UDAGAAGJSNAELM-KRWDZBQOSA-N 1 0 333.476 3.146 20 10 EGCDRO Cc1ccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cn1 ZINC000154308915 1294050232 /nfs/dbraw/zinc/05/02/32/1294050232.db2.gz RTXWYLZLQDYJND-ZSOIEALJSA-N 1 0 349.525 3.179 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccccc1O ZINC000156550780 1294148139 /nfs/dbraw/zinc/14/81/39/1294148139.db2.gz ANPJONUGBYVFON-OAHLLOKOSA-N 1 0 334.366 3.141 20 10 EGCDRO OCC[N@H+](Cc1ccccc1)Cc1cc(Br)ccc1O ZINC000158286509 1294201203 /nfs/dbraw/zinc/20/12/03/1294201203.db2.gz ZMPPCYKVQUQJGI-UHFFFAOYSA-N 1 0 336.229 3.149 20 10 EGCDRO COc1cc(Br)cc(C[N@H+](C)Cc2ccco2)c1O ZINC000162139783 1294308423 /nfs/dbraw/zinc/30/84/23/1294308423.db2.gz TZSZZSHAIXSWHC-UHFFFAOYSA-N 1 0 326.190 3.388 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164211900 1294345093 /nfs/dbraw/zinc/34/50/93/1294345093.db2.gz MLZHDEBCQBINSJ-JKSUJKDBSA-N 1 0 348.487 3.226 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@H](N3CC=CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164407105 1294347273 /nfs/dbraw/zinc/34/72/73/1294347273.db2.gz IFWXIXDOPXJQCK-INIZCTEOSA-N 1 0 330.472 3.144 20 10 EGCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000177702405 1294688458 /nfs/dbraw/zinc/68/84/58/1294688458.db2.gz UEWWIJKGMRHPDE-MRXNPFEDSA-N 1 0 347.478 3.163 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178205340 1294721882 /nfs/dbraw/zinc/72/18/82/1294721882.db2.gz AEMYDCQGEZPKBO-CABCVRRESA-N 1 0 346.471 3.233 20 10 EGCDRO Cc1cccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c1O ZINC000179960804 1294846271 /nfs/dbraw/zinc/84/62/71/1294846271.db2.gz RWRQLYBQJRPCTM-UHFFFAOYSA-N 1 0 330.472 3.315 20 10 EGCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1)CC(F)(F)F ZINC000180551475 1294899493 /nfs/dbraw/zinc/89/94/93/1294899493.db2.gz ILWQLJRWFSIOJO-ZDUSSCGKSA-N 1 0 346.393 3.107 20 10 EGCDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000180755619 1294914283 /nfs/dbraw/zinc/91/42/83/1294914283.db2.gz QVLHHPNAJATACQ-UHFFFAOYSA-N 1 0 348.487 3.380 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000182321456 1295035522 /nfs/dbraw/zinc/03/55/22/1295035522.db2.gz YZLWFBKPZAUEKT-LBPRGKRZSA-N 1 0 332.356 3.039 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000182326969 1295035755 /nfs/dbraw/zinc/03/57/55/1295035755.db2.gz UGGWPZPYUJOZCF-AWEZNQCLSA-N 1 0 328.412 3.307 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)C2CCC(C)CC2)c1 ZINC000182458472 1295048834 /nfs/dbraw/zinc/04/88/34/1295048834.db2.gz VTJAAHKLYXLAFL-SHARSMKWSA-N 1 0 334.460 3.089 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCC2CCCCC2)c1 ZINC000182450744 1295049235 /nfs/dbraw/zinc/04/92/35/1295049235.db2.gz IVXCWKHYAGTDHD-AWEZNQCLSA-N 1 0 334.460 3.138 20 10 EGCDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000183363985 1295114164 /nfs/dbraw/zinc/11/41/64/1295114164.db2.gz LIDQPICTXZGGLM-IRXDYDNUSA-N 1 0 339.483 3.151 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c(O)c1 ZINC000185188461 1295246855 /nfs/dbraw/zinc/24/68/55/1295246855.db2.gz RWUKJDXWSFLWQH-MRXNPFEDSA-N 1 0 326.440 3.388 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1 ZINC000185581581 1295271221 /nfs/dbraw/zinc/27/12/21/1295271221.db2.gz JJDDOBMSHKPLDE-HNNXBMFYSA-N 1 0 335.444 3.345 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)c1 ZINC000186015810 1295298854 /nfs/dbraw/zinc/29/88/54/1295298854.db2.gz LEZQNCZBNQOEAY-ZDUSSCGKSA-N 1 0 346.402 3.011 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1O ZINC000186201077 1295311906 /nfs/dbraw/zinc/31/19/06/1295311906.db2.gz BTEQMSLWLILCDR-IAQYHMDHSA-N 1 0 338.423 3.485 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1OC ZINC000186456181 1295330045 /nfs/dbraw/zinc/33/00/45/1295330045.db2.gz ICHIVVNNMCEHEJ-XOBRGWDASA-N 1 0 344.455 3.190 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)c1 ZINC000187696302 1295410350 /nfs/dbraw/zinc/41/03/50/1295410350.db2.gz IKWKRUXVAKWPOE-FQEVSTJZSA-N 1 0 340.467 3.401 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)c1 ZINC000189844149 1295547395 /nfs/dbraw/zinc/54/73/95/1295547395.db2.gz YONZCSDCFWCBIB-VIFPVBQESA-N 1 0 343.292 3.266 20 10 EGCDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000194634842 1295995791 /nfs/dbraw/zinc/99/57/91/1295995791.db2.gz SQKYKSRCQRVACD-LJQANCHMSA-N 1 0 329.440 3.468 20 10 EGCDRO COc1cc2c(cc1C[NH2+]Cc1cccc(OC)c1O)O[C@H](C)C2 ZINC000237392169 1296239450 /nfs/dbraw/zinc/23/94/50/1296239450.db2.gz LLJOCHXNEZNGFR-GFCCVEGCSA-N 1 0 329.396 3.023 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000237654850 1296253813 /nfs/dbraw/zinc/25/38/13/1296253813.db2.gz MUYOQEIESOTETC-LJQANCHMSA-N 1 0 325.456 3.178 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(O)c1F ZINC000872025070 1296669876 /nfs/dbraw/zinc/66/98/76/1296669876.db2.gz YONNHYIBCYPVMA-AWEZNQCLSA-N 1 0 330.403 3.219 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(O)c1F ZINC000872088201 1296727026 /nfs/dbraw/zinc/72/70/26/1296727026.db2.gz LSVFUTIJBNBGKH-AWEZNQCLSA-N 1 0 344.430 3.343 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(C)o1 ZINC000305734538 1297038212 /nfs/dbraw/zinc/03/82/12/1297038212.db2.gz OXBADEOXLSBYPQ-UHFFFAOYSA-N 1 0 328.456 3.395 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(CO)C2)c1O ZINC000305764270 1297045645 /nfs/dbraw/zinc/04/56/45/1297045645.db2.gz GKQVTBOTZZCFRX-HNNXBMFYSA-N 1 0 328.250 3.058 20 10 EGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21 ZINC000310856285 1297100964 /nfs/dbraw/zinc/10/09/64/1297100964.db2.gz TUUNPRJCPNZQOK-KRWDZBQOSA-N 1 0 345.487 3.168 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CCCO1 ZINC000311261274 1297106219 /nfs/dbraw/zinc/10/62/19/1297106219.db2.gz GLEQKIBXUFAFAM-CQSZACIVSA-N 1 0 328.250 3.464 20 10 EGCDRO COc1cc(C[N@@H+]2CCc3ccc(NC(C)=O)cc3C2)c(O)cc1C ZINC000872813407 1297123196 /nfs/dbraw/zinc/12/31/96/1297123196.db2.gz RCWSOABNJNZXBM-UHFFFAOYSA-N 1 0 340.423 3.226 20 10 EGCDRO CCOC(=O)N1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC000324029181 1297205950 /nfs/dbraw/zinc/20/59/50/1297205950.db2.gz OGLFCQIYFPFBRL-HIFRSBDPSA-N 1 0 332.444 3.459 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC000327173776 1297245275 /nfs/dbraw/zinc/24/52/75/1297245275.db2.gz WKQCCZARPAUTTA-UHFFFAOYSA-N 1 0 337.467 3.061 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(C)nc(C)c2)cc1Cn1cccn1 ZINC000873132447 1297288962 /nfs/dbraw/zinc/28/89/62/1297288962.db2.gz UISMFXJETQPDRV-UHFFFAOYSA-N 1 0 336.439 3.242 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382471457 1297559962 /nfs/dbraw/zinc/55/99/62/1297559962.db2.gz PZOSLHRWPVRWOE-GOEBONIOSA-N 1 0 334.460 3.484 20 10 EGCDRO CC[C@H]([NH2+]CCc1cncn1C)c1cc(Br)ccc1O ZINC000401780549 1297741661 /nfs/dbraw/zinc/74/16/61/1297741661.db2.gz PTTNKZRXTHPFBI-AWEZNQCLSA-N 1 0 338.249 3.172 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])C1CCCC1 ZINC000692967974 1298147473 /nfs/dbraw/zinc/14/74/73/1298147473.db2.gz WFQDSXLYDJWVNS-AWEZNQCLSA-N 1 0 328.250 3.450 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(Br)ccc1O ZINC000696079787 1298162863 /nfs/dbraw/zinc/16/28/63/1298162863.db2.gz SRZVQSJCLONDSI-ZWNOBZJWSA-N 1 0 328.250 3.356 20 10 EGCDRO CC(C)[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCCO1 ZINC000707161966 1298225250 /nfs/dbraw/zinc/22/52/50/1298225250.db2.gz WGIQJFNGGITWGN-OAHLLOKOSA-N 1 0 328.250 3.402 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000715103545 1298276932 /nfs/dbraw/zinc/27/69/32/1298276932.db2.gz MBTPOOFGAZOESA-IYBDPMFKSA-N 1 0 334.460 3.397 20 10 EGCDRO C[NH+]1CCC(C)(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715829954 1298288783 /nfs/dbraw/zinc/28/87/83/1298288783.db2.gz UZJGMWHZUKNYKF-UHFFFAOYSA-N 1 0 345.256 3.115 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000716178734 1298294011 /nfs/dbraw/zinc/29/40/11/1298294011.db2.gz PQMMOGNVDZABDC-DOTOQJQBSA-N 1 0 326.440 3.326 20 10 EGCDRO CC(C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)N1CCOCC1 ZINC000725841358 1298371542 /nfs/dbraw/zinc/37/15/42/1298371542.db2.gz CQKNVELRZIOYNR-UHFFFAOYSA-N 1 0 340.467 3.260 20 10 EGCDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745801064 1298481842 /nfs/dbraw/zinc/48/18/42/1298481842.db2.gz SIUYGGIZVQOGKK-KRWDZBQOSA-N 1 0 348.535 3.403 20 10 EGCDRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)c(C)n1-c1cccc(C)c1 ZINC000854722756 1325298951 /nfs/dbraw/zinc/29/89/51/1325298951.db2.gz JRVWXGBUIZNINY-UHFFFAOYSA-N 1 0 325.456 3.036 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C1CCOCC1 ZINC000746054082 1298518913 /nfs/dbraw/zinc/51/89/13/1298518913.db2.gz MHQQZUHHMUWHLS-CQSZACIVSA-N 1 0 328.250 3.450 20 10 EGCDRO Cc1cc(C(=O)NCCNc2cc[nH+]cc2)c(C)n1-c1cccc(C)c1 ZINC000747209721 1298743145 /nfs/dbraw/zinc/74/31/45/1298743145.db2.gz SKFDDLFBCQBOIZ-UHFFFAOYSA-N 1 0 348.450 3.061 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000876641536 1298889882 /nfs/dbraw/zinc/88/98/82/1298889882.db2.gz LBICTZJXLJGMAO-HNNXBMFYSA-N 1 0 334.460 3.437 20 10 EGCDRO Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000747920539 1298890758 /nfs/dbraw/zinc/89/07/58/1298890758.db2.gz ASIUYYSFTYBAJK-UHFFFAOYSA-N 1 0 329.419 3.057 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000876658898 1298904163 /nfs/dbraw/zinc/90/41/63/1298904163.db2.gz IWUFDYXPRVFAOL-UHFFFAOYSA-N 1 0 340.423 3.257 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCc4ccsc4C3)cc2)CC1 ZINC000876741908 1298951238 /nfs/dbraw/zinc/95/12/38/1298951238.db2.gz LSMZNEZEGPXWMG-UHFFFAOYSA-N 1 0 328.481 3.268 20 10 EGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876761125 1298967112 /nfs/dbraw/zinc/96/71/12/1298967112.db2.gz YSYMPOYKVKHYRI-UXHICEINSA-N 1 0 346.515 3.283 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c(O)c1 ZINC000877007352 1299111600 /nfs/dbraw/zinc/11/16/00/1299111600.db2.gz MRHYSEAWWUPJMU-MRXNPFEDSA-N 1 0 325.330 3.240 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC000749125262 1299148458 /nfs/dbraw/zinc/14/84/58/1299148458.db2.gz CGIYPTBEGCUPOA-APWZRJJASA-N 1 0 343.515 3.447 20 10 EGCDRO C[N@@H+]1Cc2ccc(NCc3ccc(N4CCC(O)CC4)cc3)cc2C1 ZINC000877160612 1299187453 /nfs/dbraw/zinc/18/74/53/1299187453.db2.gz PVLCIFFCSRCYKO-UHFFFAOYSA-N 1 0 337.467 3.205 20 10 EGCDRO Cc1csc([C@@H](C)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877333253 1299249676 /nfs/dbraw/zinc/24/96/76/1299249676.db2.gz RCTQUDUGDMZBDB-AWEZNQCLSA-N 1 0 345.512 3.306 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877509396 1299357463 /nfs/dbraw/zinc/35/74/63/1299357463.db2.gz JOXUBPZKANPTLV-AWEZNQCLSA-N 1 0 333.453 3.345 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1C ZINC000877552612 1299391603 /nfs/dbraw/zinc/39/16/03/1299391603.db2.gz FHXISZOKTLKVMQ-HXUWFJFHSA-N 1 0 347.499 3.441 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](CC)CO1 ZINC000877611361 1299430273 /nfs/dbraw/zinc/43/02/73/1299430273.db2.gz PUZZAOZABVRJQD-FXAWDEMLSA-N 1 0 332.488 3.037 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](C)[C@H](O)c2cc(OC)ccc2OC)c1O ZINC000877834179 1299602763 /nfs/dbraw/zinc/60/27/63/1299602763.db2.gz ZJXOQFNROBNNKG-YJYMSZOUSA-N 1 0 345.439 3.184 20 10 EGCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752088514 1299692844 /nfs/dbraw/zinc/69/28/44/1299692844.db2.gz LFDTVBLIRWGVMY-IYBDPMFKSA-N 1 0 342.439 3.387 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCc1cnccn1 ZINC000753572743 1299977347 /nfs/dbraw/zinc/97/73/47/1299977347.db2.gz XQYUAHALGAGELH-UHFFFAOYSA-N 1 0 335.407 3.094 20 10 EGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000753982835 1300056930 /nfs/dbraw/zinc/05/69/30/1300056930.db2.gz PNDLCCVVXIQYSD-OAHLLOKOSA-N 1 0 349.544 3.023 20 10 EGCDRO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000754863076 1300232942 /nfs/dbraw/zinc/23/29/42/1300232942.db2.gz PTLQWLWFKOHSAL-XOVNIXPASA-N 1 0 325.408 3.353 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000756369701 1300477910 /nfs/dbraw/zinc/47/79/10/1300477910.db2.gz UARNUWKQTGDHOD-OAHLLOKOSA-N 1 0 348.487 3.484 20 10 EGCDRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000756380032 1300478834 /nfs/dbraw/zinc/47/88/34/1300478834.db2.gz SAANGPBAJQCBFQ-AWEZNQCLSA-N 1 0 328.412 3.136 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cccn2)c2c1c(F)ccc2O ZINC000756393310 1300483413 /nfs/dbraw/zinc/48/34/13/1300483413.db2.gz NDKVOLBUOJZJDN-DOMZBBRYSA-N 1 0 338.386 3.450 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000756430993 1300487978 /nfs/dbraw/zinc/48/79/78/1300487978.db2.gz LMVBHYPOUMEGJV-JKSUJKDBSA-N 1 0 348.487 3.342 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1cc(F)ccc1O ZINC000756447385 1300493360 /nfs/dbraw/zinc/49/33/60/1300493360.db2.gz VMDITYVMWFIPEE-GFCCVEGCSA-N 1 0 330.359 3.339 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Br)ccc1O ZINC000756615703 1300532164 /nfs/dbraw/zinc/53/21/64/1300532164.db2.gz FZUXMVVLFZJJBS-NWDGAFQWSA-N 1 0 327.266 3.290 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c2c1c(F)ccc2O ZINC000756655528 1300542489 /nfs/dbraw/zinc/54/24/89/1300542489.db2.gz QNEQLOJWPIWBRD-XPKDYRNWSA-N 1 0 346.446 3.460 20 10 EGCDRO CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756762015 1300561431 /nfs/dbraw/zinc/56/14/31/1300561431.db2.gz SGXWGFMLQWORCI-CABCVRRESA-N 1 0 335.448 3.319 20 10 EGCDRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc2ccccc2c1O ZINC000756762885 1300562428 /nfs/dbraw/zinc/56/24/28/1300562428.db2.gz SHFYAASZJCTKOU-ZDUSSCGKSA-N 1 0 333.453 3.021 20 10 EGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccccc21 ZINC000757001960 1300609326 /nfs/dbraw/zinc/60/93/26/1300609326.db2.gz UYTIFEGVZDQEJO-GOSISDBHSA-N 1 0 341.430 3.479 20 10 EGCDRO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647925 1300647661 /nfs/dbraw/zinc/64/76/61/1300647661.db2.gz QYCTYIXEAHWFAT-CQSZACIVSA-N 1 0 330.403 3.231 20 10 EGCDRO COc1ccc(OCC[NH2+][C@H](C)c2ccccc2O)c([N+](=O)[O-])c1 ZINC000879648521 1300647838 /nfs/dbraw/zinc/64/78/38/1300647838.db2.gz RZSKRVVLOWFDQU-GFCCVEGCSA-N 1 0 332.356 3.039 20 10 EGCDRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879649605 1300649016 /nfs/dbraw/zinc/64/90/16/1300649016.db2.gz XMURMCRXCMFSTE-OAHLLOKOSA-N 1 0 333.453 3.215 20 10 EGCDRO Cc1c[nH+]ccc1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000757702125 1300715276 /nfs/dbraw/zinc/71/52/76/1300715276.db2.gz IYFRFFHDXKPILV-HUUCEWRRSA-N 1 0 329.419 3.177 20 10 EGCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000757919574 1300757478 /nfs/dbraw/zinc/75/74/78/1300757478.db2.gz LIISEGRLLDLROF-FQEVSTJZSA-N 1 0 343.423 3.117 20 10 EGCDRO Cc1sccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000880397697 1301102963 /nfs/dbraw/zinc/10/29/63/1301102963.db2.gz SPFPGBHFUZLZOK-UHFFFAOYSA-N 1 0 344.484 3.130 20 10 EGCDRO CCN(C)c1ccc(Cn2cc(C[C@H]([NH3+])c3ccccc3)nn2)cc1 ZINC000881313548 1301521520 /nfs/dbraw/zinc/52/15/20/1301521520.db2.gz NSFVHKOJYSYDLQ-FQEVSTJZSA-N 1 0 335.455 3.025 20 10 EGCDRO CCCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000881851127 1301742930 /nfs/dbraw/zinc/74/29/30/1301742930.db2.gz NZZJLOVKTLTIFJ-UHFFFAOYSA-N 1 0 329.488 3.025 20 10 EGCDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000764641088 1302107106 /nfs/dbraw/zinc/10/71/06/1302107106.db2.gz ZWCUBHMHBFRJNP-HNNXBMFYSA-N 1 0 347.478 3.478 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC3(N(C)C)CCCC3)CC2)cc1 ZINC000764653469 1302110345 /nfs/dbraw/zinc/11/03/45/1302110345.db2.gz FLGWROJRJGOVSM-UHFFFAOYSA-N 1 0 331.504 3.128 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764742473 1302126273 /nfs/dbraw/zinc/12/62/73/1302126273.db2.gz IRYJKUNZOGSOFU-ZACQAIPSSA-N 1 0 333.520 3.291 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764742469 1302126464 /nfs/dbraw/zinc/12/64/64/1302126464.db2.gz IRYJKUNZOGSOFU-IXDOHACOSA-N 1 0 333.520 3.291 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3COc4ccccc4C3)CC2)cc1 ZINC000765433122 1302263177 /nfs/dbraw/zinc/26/31/77/1302263177.db2.gz WTDXCACSEJZBAC-GOSISDBHSA-N 1 0 338.451 3.257 20 10 EGCDRO [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000883157583 1302276683 /nfs/dbraw/zinc/27/66/83/1302276683.db2.gz CTWXSEKBUFLGJC-JLLWLGSASA-N 1 0 332.625 3.218 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000766191185 1302407918 /nfs/dbraw/zinc/40/79/18/1302407918.db2.gz QWLJZQAYJHZKHH-KKUMJFAQSA-N 1 0 338.879 3.252 20 10 EGCDRO C[C@H]([NH2+]CCNc1cnccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766592825 1302482543 /nfs/dbraw/zinc/48/25/43/1302482543.db2.gz SWCXDASZVXOEPF-HNNXBMFYSA-N 1 0 343.450 3.369 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000767729858 1302752250 /nfs/dbraw/zinc/75/22/50/1302752250.db2.gz WFJMCJGCHLNVIT-UHFFFAOYSA-N 1 0 337.467 3.087 20 10 EGCDRO CCC[N@@H+](Cc1c(O)cccc1OC)C[C@H]1COc2ccccc2O1 ZINC000768180302 1302847983 /nfs/dbraw/zinc/84/79/83/1302847983.db2.gz LHXFJMAXJSWXAO-HNNXBMFYSA-N 1 0 343.423 3.453 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000768194871 1302853160 /nfs/dbraw/zinc/85/31/60/1302853160.db2.gz HITSWHGTMYMCLH-UHFFFAOYSA-N 1 0 346.858 3.372 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2cn3c(n2)SCC3)c2c1c(F)ccc2O ZINC000768284195 1302872396 /nfs/dbraw/zinc/87/23/96/1302872396.db2.gz BDRMKJHIXUYOJC-ZWNOBZJWSA-N 1 0 333.432 3.214 20 10 EGCDRO CC[N@H+](Cc1ccccc1Cl)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439884 1302902118 /nfs/dbraw/zinc/90/21/18/1302902118.db2.gz OPXGHPUAUMGGEQ-KRWDZBQOSA-N 1 0 333.815 3.494 20 10 EGCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC12CC3CC(CC(C3)C1)C2 ZINC000768443199 1302903496 /nfs/dbraw/zinc/90/34/96/1302903496.db2.gz ZYNHBBLBMAJDDX-BAMAOYLXSA-N 1 0 343.467 3.466 20 10 EGCDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768447901 1302906277 /nfs/dbraw/zinc/90/62/77/1302906277.db2.gz RKJWBHAYWHBBIG-BBEGDGIKSA-N 1 0 343.398 3.335 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCc3c(Cl)cccc3C1)[C@H](O)CO2 ZINC000768448694 1302910227 /nfs/dbraw/zinc/91/02/27/1302910227.db2.gz WIOOPVFEBPALFF-QGZVFWFLSA-N 1 0 331.799 3.030 20 10 EGCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000769210845 1303072446 /nfs/dbraw/zinc/07/24/46/1303072446.db2.gz UIUJRBPBNMEUSP-DOTOQJQBSA-N 1 0 348.487 3.308 20 10 EGCDRO COc1cc(Br)cc(C[N@H+](C)CCCOC(C)C)c1O ZINC000769455004 1303116579 /nfs/dbraw/zinc/11/65/79/1303116579.db2.gz DQKWDAVALGBJAP-UHFFFAOYSA-N 1 0 346.265 3.410 20 10 EGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000769465194 1303117654 /nfs/dbraw/zinc/11/76/54/1303117654.db2.gz DIJYBJVMLGODJX-NWDGAFQWSA-N 1 0 327.266 3.069 20 10 EGCDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000769465195 1303118209 /nfs/dbraw/zinc/11/82/09/1303118209.db2.gz DIJYBJVMLGODJX-RYUDHWBXSA-N 1 0 327.266 3.069 20 10 EGCDRO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC12CCC2 ZINC000771465901 1303410327 /nfs/dbraw/zinc/41/03/27/1303410327.db2.gz YJHHIVOWEAWFNN-QGZVFWFLSA-N 1 0 343.515 3.223 20 10 EGCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000771875481 1303452927 /nfs/dbraw/zinc/45/29/27/1303452927.db2.gz GWZCLPGCNRTFQN-JLTOFOAXSA-N 1 0 327.424 3.496 20 10 EGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCc4cccnc43)cc2)CC1 ZINC000886511469 1303481383 /nfs/dbraw/zinc/48/13/83/1303481383.db2.gz UUUKVCZCWWQTSQ-HXUWFJFHSA-N 1 0 337.467 3.067 20 10 EGCDRO CC(C)(C)C[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000772951825 1303597465 /nfs/dbraw/zinc/59/74/65/1303597465.db2.gz FQGBEZBFWYLYDJ-MRXNPFEDSA-N 1 0 349.475 3.472 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000773016770 1303608919 /nfs/dbraw/zinc/60/89/19/1303608919.db2.gz RPJVOAPUBJMABR-SZMVWBNQSA-N 1 0 338.517 3.149 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000773152849 1303633976 /nfs/dbraw/zinc/63/39/76/1303633976.db2.gz TXCKLHVPLRYDOP-KFWWJZLASA-N 1 0 338.879 3.395 20 10 EGCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773371877 1303669501 /nfs/dbraw/zinc/66/95/01/1303669501.db2.gz LERLDAXWLBLVFE-IKGGRYGDSA-N 1 0 346.519 3.233 20 10 EGCDRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774481229 1303815087 /nfs/dbraw/zinc/81/50/87/1303815087.db2.gz 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COc1ccc(O)c([C@@H](C)[NH2+]CCCOc2ccc3c(c2)OCO3)c1 ZINC000775370580 1303948828 /nfs/dbraw/zinc/94/88/28/1303948828.db2.gz WUWZTAFARFGHGR-CYBMUJFWSA-N 1 0 345.395 3.249 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCC1CCCCC1 ZINC000775831122 1304045320 /nfs/dbraw/zinc/04/53/20/1304045320.db2.gz PVQARQNKRXKPMC-HOTGVXAUSA-N 1 0 331.504 3.488 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000775830654 1304045476 /nfs/dbraw/zinc/04/54/76/1304045476.db2.gz MFTYHGSVADRSTD-HUUCEWRRSA-N 1 0 329.488 3.193 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775838380 1304047619 /nfs/dbraw/zinc/04/76/19/1304047619.db2.gz XYGQVIHZMFPLLQ-IUVQAAGXSA-N 1 0 331.504 3.344 20 10 EGCDRO C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000775835424 1304048187 /nfs/dbraw/zinc/04/81/87/1304048187.db2.gz YOTDMEGCUQSELG-LBPRGKRZSA-N 1 0 333.382 3.320 20 10 EGCDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1(C)C ZINC000776499739 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Cc1cc(Br)cc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1O ZINC000780780495 1304737907 /nfs/dbraw/zinc/73/79/07/1304737907.db2.gz XEVVUTGTEDXXCQ-NEPJUHHUSA-N 1 0 328.250 3.368 20 10 EGCDRO Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(O)c1O ZINC000780954288 1304755649 /nfs/dbraw/zinc/75/56/49/1304755649.db2.gz DAYGNNYGVUFMJO-OAHLLOKOSA-N 1 0 348.830 3.092 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)cc2)[C@]12CCCO2 ZINC000781422847 1304826555 /nfs/dbraw/zinc/82/65/55/1304826555.db2.gz YMHNRHJINVUJCB-XUVXKRRUSA-N 1 0 332.488 3.349 20 10 EGCDRO C[N@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000891527036 1305079716 /nfs/dbraw/zinc/07/97/16/1305079716.db2.gz UHOSFWKBHUGZCB-UHFFFAOYSA-N 1 0 340.471 3.077 20 10 EGCDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)/C=C\c1cnn(C)c1 ZINC000891569981 1305093774 /nfs/dbraw/zinc/09/37/74/1305093774.db2.gz VMSUNLVIBJIERS-QXPKXGMISA-N 1 0 340.471 3.033 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(N2CCOCC2)c1 ZINC000783521474 1305102193 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COc1ccc(C[NH2+]C[C@@H](C)Oc2cccc(C)c2)c(O)c1OC ZINC000892955430 1305626592 /nfs/dbraw/zinc/62/65/92/1305626592.db2.gz HOMOHWGUNNZUEB-CQSZACIVSA-N 1 0 331.412 3.275 20 10 EGCDRO COc1ccc(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)c(O)c1OC ZINC000893184914 1305749399 /nfs/dbraw/zinc/74/93/99/1305749399.db2.gz ZWEMFSZUTZGKGR-LJQANCHMSA-N 1 0 343.423 3.013 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)c(O)c1OC ZINC000893302667 1305814526 /nfs/dbraw/zinc/81/45/26/1305814526.db2.gz GXYDYMXPEZAFIA-KPZWWZAWSA-N 1 0 349.402 3.414 20 10 EGCDRO CC(C)OCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000788275600 1305913646 /nfs/dbraw/zinc/91/36/46/1305913646.db2.gz OAWFOMQQICTUCB-QGZVFWFLSA-N 1 0 333.428 3.163 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC=C(C)CC3)CC2)cc1 ZINC000788504179 1305958849 /nfs/dbraw/zinc/95/88/49/1305958849.db2.gz GJIPLXDBFOHXRK-LJQANCHMSA-N 1 0 343.515 3.296 20 10 EGCDRO CCSc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2O)ccn1 ZINC000893715588 1306046288 /nfs/dbraw/zinc/04/62/88/1306046288.db2.gz GOQGGEYJONOYLP-UHFFFAOYSA-N 1 0 334.441 3.206 20 10 EGCDRO CC(C)N1CCC[C@@H]([N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1=O ZINC000790265915 1306285294 /nfs/dbraw/zinc/28/52/94/1306285294.db2.gz KLHRFBJEUKRSBL-LJQANCHMSA-N 1 0 329.488 3.116 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)ccc1OC ZINC000790485184 1306335481 /nfs/dbraw/zinc/33/54/81/1306335481.db2.gz LDOCMAVHSPNCLT-IBGZPJMESA-N 1 0 334.504 3.442 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCc2nnc(-c3ccccc3)o2)c1O ZINC000894360383 1306360453 /nfs/dbraw/zinc/36/04/53/1306360453.db2.gz YBYMQKRFKQQXOP-UHFFFAOYSA-N 1 0 339.395 3.092 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCCc2nc3ccccc3n2C)c1O ZINC000894394230 1308852968 /nfs/dbraw/zinc/85/29/68/1308852968.db2.gz VOSWRNAJDIZVNJ-UHFFFAOYSA-N 1 0 339.439 3.318 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)c1O ZINC000894439078 1308885915 /nfs/dbraw/zinc/88/59/15/1308885915.db2.gz XGCXRGRPAZCHGF-UHFFFAOYSA-N 1 0 337.423 3.400 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1O ZINC000894480585 1308914336 /nfs/dbraw/zinc/91/43/36/1308914336.db2.gz PMTHTGKADIFFLR-UHFFFAOYSA-N 1 0 342.439 3.024 20 10 EGCDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792791730 1309230879 /nfs/dbraw/zinc/23/08/79/1309230879.db2.gz KOHCKMHCGXBKIO-UHFFFAOYSA-N 1 0 345.409 3.072 20 10 EGCDRO CC(C)n1nccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000792922378 1309260943 /nfs/dbraw/zinc/26/09/43/1309260943.db2.gz XRHIMVRWKMQOKE-UHFFFAOYSA-N 1 0 330.501 3.307 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000792991540 1309278192 /nfs/dbraw/zinc/27/81/92/1309278192.db2.gz ICNAXNRCLFKLLS-DOMZBBRYSA-N 1 0 330.394 3.412 20 10 EGCDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793060378 1309289639 /nfs/dbraw/zinc/28/96/39/1309289639.db2.gz AXHKFPHLFSUOFJ-QWHCGFSZSA-N 1 0 330.394 3.364 20 10 EGCDRO C[C@]1([NH2+]Cc2ccccc2O)CCN(C(=O)OCc2ccccc2)C1 ZINC000793343087 1309350393 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COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc(OC)cc2O)c1 ZINC000795994070 1309878623 /nfs/dbraw/zinc/87/86/23/1309878623.db2.gz LXWNEJNKHQQTPF-UHFFFAOYSA-N 1 0 335.787 3.131 20 10 EGCDRO CCN1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)[C@H](C)C1 ZINC000796320451 1309965511 /nfs/dbraw/zinc/96/55/11/1309965511.db2.gz AQQRQBXPOFKINB-QGZVFWFLSA-N 1 0 339.483 3.303 20 10 EGCDRO OC[C@H](CC(F)F)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796366095 1309980734 /nfs/dbraw/zinc/98/07/34/1309980734.db2.gz YWGOUMYBEKASAF-SFHVURJKSA-N 1 0 346.421 3.355 20 10 EGCDRO C[C@H](O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1F ZINC000796518083 1310019294 /nfs/dbraw/zinc/01/92/94/1310019294.db2.gz DAFPMENJAZCTRF-HNNXBMFYSA-N 1 0 343.446 3.243 20 10 EGCDRO O=C1NCCC2(CC[NH+](Cc3ccc4ccccc4c3O)CC2)O1 ZINC000897011618 1310134831 /nfs/dbraw/zinc/13/48/31/1310134831.db2.gz IQBWPXIHQACVOX-UHFFFAOYSA-N 1 0 326.396 3.010 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000797132397 1310145463 /nfs/dbraw/zinc/14/54/63/1310145463.db2.gz QFYXCJKHMAZCNN-NPMXOYFQSA-N 1 0 330.497 3.482 20 10 EGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800329333 1310737536 /nfs/dbraw/zinc/73/75/36/1310737536.db2.gz IGDQVHXGIIBIKB-UHFFFAOYSA-N 1 0 347.503 3.441 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCSCC1 ZINC000898450629 1310742274 /nfs/dbraw/zinc/74/22/74/1310742274.db2.gz SGRDSDDOLOFBGI-KXBFYZLASA-N 1 0 335.561 3.477 20 10 EGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000800473730 1310765482 /nfs/dbraw/zinc/76/54/82/1310765482.db2.gz BIJJIFVKOBWBAJ-KPFFTGBYSA-N 1 0 332.488 3.379 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1O ZINC000800529951 1310778714 /nfs/dbraw/zinc/77/87/14/1310778714.db2.gz SUSUQMMGSOGXBL-HNNXBMFYSA-N 1 0 336.229 3.286 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000800543416 1310781410 /nfs/dbraw/zinc/78/14/10/1310781410.db2.gz ALQVMBPQDAPBIX-MRXNPFEDSA-N 1 0 326.440 3.352 20 10 EGCDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000800901048 1310832136 /nfs/dbraw/zinc/83/21/36/1310832136.db2.gz BBVHMNZGNYIZQZ-INIZCTEOSA-N 1 0 345.830 3.442 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 ZINC000800899737 1310832729 /nfs/dbraw/zinc/83/27/29/1310832729.db2.gz VFBJNSMQICSZPM-LJQANCHMSA-N 1 0 338.451 3.024 20 10 EGCDRO CCCC[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1O ZINC000801596386 1310971062 /nfs/dbraw/zinc/97/10/62/1310971062.db2.gz XSSRBABNHIUXSD-UHFFFAOYSA-N 1 0 337.423 3.202 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000824895433 1320294196 /nfs/dbraw/zinc/29/41/96/1320294196.db2.gz XKCJAKREYKPWEO-ZDUSSCGKSA-N 1 0 340.261 3.403 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1Cl ZINC000825341682 1320330724 /nfs/dbraw/zinc/33/07/24/1320330724.db2.gz QEXONTGEJODQDN-OAHLLOKOSA-N 1 0 336.863 3.235 20 10 EGCDRO C[C@H]1CN(Cc2ccc(Br)cc2O)C[C@H](C2CC2)O1 ZINC000825738427 1320359645 /nfs/dbraw/zinc/35/96/45/1320359645.db2.gz NXAQOSLYYWILAT-ZUZCIYMTSA-N 1 0 326.234 3.154 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838764581 1320813779 /nfs/dbraw/zinc/81/37/79/1320813779.db2.gz FIUGYFKSOGLJDW-QGZVFWFLSA-N 1 0 346.519 3.016 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)CCCc2cccnc2)cc1OC ZINC000839151277 1320881333 /nfs/dbraw/zinc/88/13/33/1320881333.db2.gz VBCQQPNFXYNVGI-CQSZACIVSA-N 1 0 330.428 3.305 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000839182949 1320887635 /nfs/dbraw/zinc/88/76/35/1320887635.db2.gz SBTJVNPGZXULEH-ZDUSSCGKSA-N 1 0 341.293 3.285 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000802042271 1316975876 /nfs/dbraw/zinc/97/58/76/1316975876.db2.gz CMRJZXVFTPUBRY-INIZCTEOSA-N 1 0 335.492 3.434 20 10 EGCDRO CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161763 1317466979 /nfs/dbraw/zinc/46/69/79/1317466979.db2.gz MZCRZSCFPVITDU-AWEZNQCLSA-N 1 0 335.275 3.318 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3ccsc3)C2)cc1C ZINC001019962053 1317478243 /nfs/dbraw/zinc/47/82/43/1317478243.db2.gz HXIUKUFXDCKOBI-QAQDUYKDSA-N 1 0 344.480 3.045 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)cc1C ZINC001020054076 1317521098 /nfs/dbraw/zinc/52/10/98/1317521098.db2.gz ADOJKRMJZFMKBD-WKILWMFISA-N 1 0 344.499 3.423 20 10 EGCDRO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC000807139231 1317551843 /nfs/dbraw/zinc/55/18/43/1317551843.db2.gz AFINTKCAECFQFB-DYJHLDHHSA-N 1 0 344.503 3.080 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000902622656 1317600611 /nfs/dbraw/zinc/60/06/11/1317600611.db2.gz PEPYQEUDFBGCRC-MRXNPFEDSA-N 1 0 335.444 3.036 20 10 EGCDRO CNc1ccccc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902724440 1317608006 /nfs/dbraw/zinc/60/80/06/1317608006.db2.gz ZLZARXCCVJNFRS-HXUWFJFHSA-N 1 0 326.488 3.187 20 10 EGCDRO CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000903026992 1317641035 /nfs/dbraw/zinc/64/10/35/1317641035.db2.gz YEIHTNPAXYPEKH-ABSDTBQOSA-N 1 0 332.488 3.459 20 10 EGCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000808217652 1317644984 /nfs/dbraw/zinc/64/49/84/1317644984.db2.gz KZBIVTDKDJXKEL-HNNXBMFYSA-N 1 0 348.487 3.134 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000808431618 1317676390 /nfs/dbraw/zinc/67/63/90/1317676390.db2.gz WGQZKJVLFUCIBM-OAHLLOKOSA-N 1 0 335.831 3.310 20 10 EGCDRO C[C@@H]([NH2+]CCCONC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000903239837 1317679512 /nfs/dbraw/zinc/67/95/12/1317679512.db2.gz PTYXQLJFOSKMRM-LLVKDONJSA-N 1 0 328.384 3.028 20 10 EGCDRO Cc1csc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000903447775 1317700768 /nfs/dbraw/zinc/70/07/68/1317700768.db2.gz CIQOQJWHLVSISS-YOEHRIQHSA-N 1 0 332.517 3.471 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)N(C)C)cc1 ZINC000903447840 1317700920 /nfs/dbraw/zinc/70/09/20/1317700920.db2.gz CZBYYUAHHLANNS-MOPGFXCFSA-N 1 0 339.483 3.338 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)N(C)C)cc1 ZINC000903447790 1317701176 /nfs/dbraw/zinc/70/11/76/1317701176.db2.gz CMLSJROXZLDDMH-HAGHYFMRSA-N 1 0 345.531 3.149 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2CCCO)N(C)C)cc1 ZINC000903448739 1317702439 /nfs/dbraw/zinc/70/24/39/1317702439.db2.gz RRMNYMKCWQTNPG-UIFIKXQLSA-N 1 0 347.547 3.276 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccc(F)cn1 ZINC000903448183 1317702478 /nfs/dbraw/zinc/70/24/78/1317702478.db2.gz LSUWBMHTRYVEOY-AUUYWEPGSA-N 1 0 330.451 3.240 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1O ZINC000808672389 1317711853 /nfs/dbraw/zinc/71/18/53/1317711853.db2.gz MACUOZHEHOFIDO-GOEBONIOSA-N 1 0 340.895 3.361 20 10 EGCDRO FC(F)CN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858231196 1328717691 /nfs/dbraw/zinc/71/76/91/1328717691.db2.gz PBRPNCOWLZMRGM-SFHVURJKSA-N 1 0 337.458 3.496 20 10 EGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000808729893 1317724355 /nfs/dbraw/zinc/72/43/55/1317724355.db2.gz ADFYZEYKFJOHSD-FPSMJMQUSA-N 1 0 339.435 3.416 20 10 EGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000808729896 1317725015 /nfs/dbraw/zinc/72/50/15/1317725015.db2.gz ADFYZEYKFJOHSD-WMHILYHISA-N 1 0 339.435 3.416 20 10 EGCDRO CCCN(Cc1cn(-c2ccccc2C)nn1)c1ccc(C[NH3+])cc1 ZINC000809654356 1317857553 /nfs/dbraw/zinc/85/75/53/1317857553.db2.gz AKSMNFPBNOJNMP-UHFFFAOYSA-N 1 0 335.455 3.451 20 10 EGCDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000809692430 1317864422 /nfs/dbraw/zinc/86/44/22/1317864422.db2.gz WWYCBTKZUCFDKX-UHFFFAOYSA-N 1 0 344.249 3.142 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1O ZINC000809722846 1317878434 /nfs/dbraw/zinc/87/84/34/1317878434.db2.gz KTWOUBRBRUTUBD-CQSZACIVSA-N 1 0 344.377 3.124 20 10 EGCDRO CCOc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000809736252 1317884065 /nfs/dbraw/zinc/88/40/65/1317884065.db2.gz LSDFAOCUBWIZBX-UHFFFAOYSA-N 1 0 346.446 3.494 20 10 EGCDRO CCN(CC)c1ccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000809738285 1317884595 /nfs/dbraw/zinc/88/45/95/1317884595.db2.gz WCYJLBMHXYHNLQ-HXUWFJFHSA-N 1 0 333.520 3.075 20 10 EGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2cccc(C)c2)c1O ZINC000809741125 1317886233 /nfs/dbraw/zinc/88/62/33/1317886233.db2.gz JRARYQCIPAAEEU-UHFFFAOYSA-N 1 0 328.456 3.273 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1O ZINC000809793287 1317902938 /nfs/dbraw/zinc/90/29/38/1317902938.db2.gz BPBKFIALZVZZJT-JOCHJYFZSA-N 1 0 339.844 3.081 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+][C@@H]2CCOC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000858300493 1328732686 /nfs/dbraw/zinc/73/26/86/1328732686.db2.gz IXSBBGIKEBSAEV-IAGOWNOFSA-N 1 0 335.488 3.227 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc2ccccc2c1O ZINC000810242405 1317985616 /nfs/dbraw/zinc/98/56/16/1317985616.db2.gz QKSJCMZHSGCQLK-CQSZACIVSA-N 1 0 334.419 3.424 20 10 EGCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000810260389 1317989049 /nfs/dbraw/zinc/98/90/49/1317989049.db2.gz KEZYTPWTIBYVBF-HIFRSBDPSA-N 1 0 326.868 3.252 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000858419410 1328757495 /nfs/dbraw/zinc/75/74/95/1328757495.db2.gz KDKMUJGSEWPVCI-GOSISDBHSA-N 1 0 345.487 3.297 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(F)ccc1O ZINC000812741107 1318447807 /nfs/dbraw/zinc/44/78/07/1318447807.db2.gz QWGHWHDWEVFTFX-DGCLKSJQSA-N 1 0 332.350 3.127 20 10 EGCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n(C)c1C ZINC000812756981 1318449164 /nfs/dbraw/zinc/44/91/64/1318449164.db2.gz IJEVBNMAFGNTJU-ZDUSSCGKSA-N 1 0 329.444 3.037 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cscc3C)C2)cc1C ZINC001021944144 1318740513 /nfs/dbraw/zinc/74/05/13/1318740513.db2.gz IZCFCPDVLCQQFT-IYBDPMFKSA-N 1 0 344.480 3.424 20 10 EGCDRO Cc1ccc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000911666760 1318757123 /nfs/dbraw/zinc/75/71/23/1318757123.db2.gz MBFSFAHFTHLZRS-SFHVURJKSA-N 1 0 345.874 3.073 20 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1318984451 /nfs/dbraw/zinc/98/44/51/1318984451.db2.gz DIBJVXLDJVVGGQ-UHFFFAOYSA-N 1 0 327.472 3.473 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000815643090 1319034880 /nfs/dbraw/zinc/03/48/80/1319034880.db2.gz TXJGBCZMFRUBPZ-KBPBESRZSA-N 1 0 345.418 3.175 20 10 EGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C1CC1 ZINC000815651338 1319037750 /nfs/dbraw/zinc/03/77/50/1319037750.db2.gz QGZRSVBGHXNVSL-ACJLOTCBSA-N 1 0 338.879 3.252 20 10 EGCDRO Oc1c(C[NH+]2CCN(c3ncccc3F)CC2)ccc2ccccc21 ZINC000816515975 1319170566 /nfs/dbraw/zinc/17/05/66/1319170566.db2.gz QTEBIZISWTUOBH-UHFFFAOYSA-N 1 0 337.398 3.402 20 10 EGCDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(Br)ccc3O)C2)C1 ZINC000816642373 1319200458 /nfs/dbraw/zinc/20/04/58/1319200458.db2.gz XQJPZKXIUJBSEM-MRXNPFEDSA-N 1 0 339.277 3.072 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1 ZINC000816768638 1319219586 /nfs/dbraw/zinc/21/95/86/1319219586.db2.gz ZSYWQYXYTVXESN-VQIMIIECSA-N 1 0 325.456 3.259 20 10 EGCDRO CCCN1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000817410814 1319351575 /nfs/dbraw/zinc/35/15/75/1319351575.db2.gz HPOYTRXYSWCEGZ-INIZCTEOSA-N 1 0 338.451 3.407 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000817413370 1319353751 /nfs/dbraw/zinc/35/37/51/1319353751.db2.gz XBWOKAPKQGLMFD-KGLIPLIRSA-N 1 0 335.444 3.343 20 10 EGCDRO COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000817896391 1319455417 /nfs/dbraw/zinc/45/54/17/1319455417.db2.gz IDFRSPAWTMPTLQ-NHCUHLMSSA-N 1 0 339.483 3.344 20 10 EGCDRO COc1ccc(OC)c([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817938800 1319467154 /nfs/dbraw/zinc/46/71/54/1319467154.db2.gz SMNVXGLFPJVFRW-LIRRHRJNSA-N 1 0 343.471 3.120 20 10 EGCDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940243 1319468378 /nfs/dbraw/zinc/46/83/78/1319468378.db2.gz DZHGGQVNZOMXFW-QZTJIDSGSA-N 1 0 343.446 3.177 20 10 EGCDRO COc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940554 1319468869 /nfs/dbraw/zinc/46/88/69/1319468869.db2.gz JUMWDMIEZZTDPU-QRWLVFNGSA-N 1 0 327.472 3.420 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC000817947545 1319473472 /nfs/dbraw/zinc/47/34/72/1319473472.db2.gz ALWVSYNONQSVKB-MRXNPFEDSA-N 1 0 339.487 3.120 20 10 EGCDRO CC[C@H](NC[C@H]1CCCC[NH2+]1)c1cc(Br)ccc1O ZINC000817950785 1319475021 /nfs/dbraw/zinc/47/50/21/1319475021.db2.gz YULRBVLULMLHLI-OCCSQVGLSA-N 1 0 327.266 3.338 20 10 EGCDRO CC(C)C[C@H](C[NH3+])N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817959456 1319478257 /nfs/dbraw/zinc/47/82/57/1319478257.db2.gz RKFMBKLBQWJQRX-LSDHHAIUSA-N 1 0 339.911 3.201 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817987387 1319487024 /nfs/dbraw/zinc/48/70/24/1319487024.db2.gz TWPDWLAMAWNWIC-ZDEQEGDKSA-N 1 0 328.378 3.450 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(OC)c3)C2)cc1 ZINC000818220433 1319521035 /nfs/dbraw/zinc/52/10/35/1319521035.db2.gz KGKSCZVGHQZAKN-KRWDZBQOSA-N 1 0 326.440 3.320 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@@H](C(C)C)C3)C2)cc1 ZINC000818220243 1319521658 /nfs/dbraw/zinc/52/16/58/1319521658.db2.gz GTBZSSRKZMJOOT-MBOZVWFJSA-N 1 0 332.488 3.315 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000818220855 1319521769 /nfs/dbraw/zinc/52/17/69/1319521769.db2.gz NGCZHSZHHHVNOD-MRXNPFEDSA-N 1 0 341.411 3.220 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H](OC)C34CCC4)C2)cc1 ZINC000818342239 1319530881 /nfs/dbraw/zinc/53/08/81/1319530881.db2.gz NPCMHEBXYBPPEP-ATZDWAIDSA-N 1 0 330.472 3.069 20 10 EGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818342253 1319531167 /nfs/dbraw/zinc/53/11/67/1319531167.db2.gz NROCVUYNVNMIIV-UWVAXJGDSA-N 1 0 332.488 3.316 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CC3CCOCC3)C2)cc1 ZINC000818345987 1319533563 /nfs/dbraw/zinc/53/35/63/1319533563.db2.gz ZFBGSPGMOBYELM-WMZOPIPTSA-N 1 0 332.488 3.316 20 10 EGCDRO CN(c1ccc(CNC[C@@H](O)C[N@H+](C)C2CC2)cc1)C1CCCCC1 ZINC000818979980 1319602588 /nfs/dbraw/zinc/60/25/88/1319602588.db2.gz FGCJEZJKUCVOOU-OAQYLSRUSA-N 1 0 345.531 3.000 20 10 EGCDRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818996196 1319610479 /nfs/dbraw/zinc/61/04/79/1319610479.db2.gz CDXJAMHLTQZRIV-INIZCTEOSA-N 1 0 347.842 3.113 20 10 EGCDRO O=C(CC[NH2+]Cc1ccc(N2CC=CC2)cc1)Nc1ccccc1F ZINC000819096189 1319632795 /nfs/dbraw/zinc/63/27/95/1319632795.db2.gz YTFBUHRKYVVEPG-UHFFFAOYSA-N 1 0 339.414 3.320 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCOc2ccc3c(c2)OCO3)cc1 ZINC000916847041 1319713821 /nfs/dbraw/zinc/71/38/21/1319713821.db2.gz JSCAHEITHMNVNQ-UHFFFAOYSA-N 1 0 342.439 3.430 20 10 EGCDRO C[C@@H]1CCC[C@](CNC(=O)NCc2ccc(N(C)C)cc2)([NH+](C)C)C1 ZINC000918541828 1319973106 /nfs/dbraw/zinc/97/31/06/1319973106.db2.gz NSZJTJDKBAOBKJ-UZLBHIALSA-N 1 0 346.519 3.062 20 10 EGCDRO CCN(CC)c1ccc(CN(C)[C@H](C(N)=O)c2ccccc2)cc1 ZINC000821958373 1320044567 /nfs/dbraw/zinc/04/45/67/1320044567.db2.gz AGPBRGGEUHYLSI-IBGZPJMESA-N 1 0 325.456 3.191 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)Cc3ccc(O)cc3)C2)cc1 ZINC000822494664 1320088461 /nfs/dbraw/zinc/08/84/61/1320088461.db2.gz RZXJFLLCKDWMQA-FUHWJXTLSA-N 1 0 340.467 3.448 20 10 EGCDRO CN(Cc1ccnc(Cl)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000824162753 1320234419 /nfs/dbraw/zinc/23/44/19/1320234419.db2.gz ZJDRQOQBEUJTER-UHFFFAOYSA-N 1 0 337.826 3.451 20 10 EGCDRO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)CO ZINC000824634839 1320272609 /nfs/dbraw/zinc/27/26/09/1320272609.db2.gz CDBYUZDONSDTQX-UHFFFAOYSA-N 1 0 329.440 3.422 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(C)(C)CO ZINC000824630960 1320272758 /nfs/dbraw/zinc/27/27/58/1320272758.db2.gz RMXKJFANWHLQND-UHFFFAOYSA-N 1 0 335.448 3.035 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1Cl ZINC000824789039 1320285742 /nfs/dbraw/zinc/28/57/42/1320285742.db2.gz KYAARLIRVYIIMP-UHFFFAOYSA-N 1 0 325.836 3.329 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c(O)c1 ZINC000824947834 1320299089 /nfs/dbraw/zinc/29/90/89/1320299089.db2.gz MEKGUNNFEBUYAK-LPHOPBHVSA-N 1 0 328.412 3.196 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC000825133294 1320313983 /nfs/dbraw/zinc/31/39/83/1320313983.db2.gz CFJZKVDFFRUPHE-INIZCTEOSA-N 1 0 340.261 3.466 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825246967 1320320965 /nfs/dbraw/zinc/32/09/65/1320320965.db2.gz MPMFLGKJBQFMOV-ZDUSSCGKSA-N 1 0 341.293 3.365 20 10 EGCDRO COc1cccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c1O ZINC000825311783 1320326438 /nfs/dbraw/zinc/32/64/38/1320326438.db2.gz OERJTZGMEGGJKF-QGZVFWFLSA-N 1 0 333.453 3.456 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1Br ZINC000825337157 1320329603 /nfs/dbraw/zinc/32/96/03/1320329603.db2.gz DCKHKCRICAQOTL-MRXNPFEDSA-N 1 0 348.240 3.207 20 10 EGCDRO COc1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000825928160 1320372647 /nfs/dbraw/zinc/37/26/47/1320372647.db2.gz NJPOOFYYNPJNCC-CYBMUJFWSA-N 1 0 335.366 3.053 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(Cl)c(C)cc3O)[C@@H]2C1 ZINC000825944143 1320374003 /nfs/dbraw/zinc/37/40/03/1320374003.db2.gz RDAHFGGSXAQCRH-LXZKKBNFSA-N 1 0 336.863 3.091 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)CC1(C)C ZINC000826062818 1320381354 /nfs/dbraw/zinc/38/13/54/1320381354.db2.gz XPSWFOFYXKMRJH-AWEZNQCLSA-N 1 0 328.250 3.402 20 10 EGCDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000827113805 1320427968 /nfs/dbraw/zinc/42/79/68/1320427968.db2.gz JPRWAMQEJYCAPF-SFHVURJKSA-N 1 0 329.440 3.468 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1Cl ZINC000827237855 1320437649 /nfs/dbraw/zinc/43/76/49/1320437649.db2.gz YASJZPJDQWKCHJ-UHFFFAOYSA-N 1 0 345.892 3.191 20 10 EGCDRO Brc1cc(C[NH2+][C@H]2CCOC2)ccc1N1CCCCC1 ZINC000838981235 1320846766 /nfs/dbraw/zinc/84/67/66/1320846766.db2.gz VNIGJCSBOZFZEU-AWEZNQCLSA-N 1 0 339.277 3.318 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000840828021 1321157617 /nfs/dbraw/zinc/15/76/17/1321157617.db2.gz OASKPNDXSXQFKJ-WMZOPIPTSA-N 1 0 329.488 3.244 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000840866064 1321165125 /nfs/dbraw/zinc/16/51/25/1321165125.db2.gz IJQWJMWZZOHQAP-FZMZJTMJSA-N 1 0 349.427 3.273 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000840872663 1321166749 /nfs/dbraw/zinc/16/67/49/1321166749.db2.gz MDCPQDNTTSBCCM-KCYZZUKISA-N 1 0 336.451 3.126 20 10 EGCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc2ccccc2c1O ZINC000840891195 1321171850 /nfs/dbraw/zinc/17/18/50/1321171850.db2.gz UXYWGMPYRWHEJM-AWEZNQCLSA-N 1 0 347.480 3.411 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000840893540 1321171880 /nfs/dbraw/zinc/17/18/80/1321171880.db2.gz KVVYLFZLJXEMNQ-HNAYVOBHSA-N 1 0 326.488 3.393 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000840910535 1321175328 /nfs/dbraw/zinc/17/53/28/1321175328.db2.gz IQLBLZRLOPETBS-FQEVSTJZSA-N 1 0 337.467 3.124 20 10 EGCDRO Cc1csc(N2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)n1 ZINC000840911201 1321175859 /nfs/dbraw/zinc/17/58/59/1321175859.db2.gz XACUSUVGQVULBR-UHFFFAOYSA-N 1 0 330.501 3.148 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@@H](O)C(C)C ZINC000840966199 1321188979 /nfs/dbraw/zinc/18/89/79/1321188979.db2.gz DJPXIMRCWRTGCN-KGLIPLIRSA-N 1 0 330.266 3.348 20 10 EGCDRO CC[C@@](C[NH2+]Cc1c(O)cccc1OC)(C(=O)OC)c1ccccc1 ZINC000840977293 1321192639 /nfs/dbraw/zinc/19/26/39/1321192639.db2.gz HBWBRDZGCXCWHK-FQEVSTJZSA-N 1 0 343.423 3.011 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1O ZINC000840978984 1321193042 /nfs/dbraw/zinc/19/30/42/1321193042.db2.gz QTCCCVLOASRXIO-NWDGAFQWSA-N 1 0 328.250 3.056 20 10 EGCDRO CCOc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000841042763 1321207970 /nfs/dbraw/zinc/20/79/70/1321207970.db2.gz NMHIZWMKFGKSGZ-SFHVURJKSA-N 1 0 331.435 3.080 20 10 EGCDRO COc1cc(O)c(CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)cc1OC ZINC000841046476 1321208975 /nfs/dbraw/zinc/20/89/75/1321208975.db2.gz BQQTUJQRYJCKNT-LBPRGKRZSA-N 1 0 346.402 3.047 20 10 EGCDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)CC1 ZINC000841300819 1321249643 /nfs/dbraw/zinc/24/96/43/1321249643.db2.gz WCXFMPLLPNHGEP-MRXNPFEDSA-N 1 0 330.476 3.245 20 10 EGCDRO C[NH2+]Cc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000841313802 1321253676 /nfs/dbraw/zinc/25/36/76/1321253676.db2.gz STRBBPKCOVXICQ-CQSZACIVSA-N 1 0 326.444 3.355 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744639 1321305601 /nfs/dbraw/zinc/30/56/01/1321305601.db2.gz JKTWGHKXQUAPFN-GFCCVEGCSA-N 1 0 336.819 3.317 20 10 EGCDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841750114 1321306819 /nfs/dbraw/zinc/30/68/19/1321306819.db2.gz UOHUTDXAQOZICZ-LBPRGKRZSA-N 1 0 348.830 3.135 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)cc1 ZINC000841762830 1321308297 /nfs/dbraw/zinc/30/82/97/1321308297.db2.gz RGVIUCKDIRLPCI-MRXNPFEDSA-N 1 0 334.504 3.361 20 10 EGCDRO CC[NH2+]CCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000841917218 1321329227 /nfs/dbraw/zinc/32/92/27/1321329227.db2.gz HUDSIDKGKQSBNP-UHFFFAOYSA-N 1 0 333.476 3.236 20 10 EGCDRO COc1ccc([C@H](C[NH3+])CN2CCCc3cc(OC)ccc32)cc1 ZINC000842471673 1321392484 /nfs/dbraw/zinc/39/24/84/1321392484.db2.gz RIAVGIXDKRLKQF-QGZVFWFLSA-N 1 0 326.440 3.199 20 10 EGCDRO C[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[NH2+]1 ZINC000842473602 1321393508 /nfs/dbraw/zinc/39/35/08/1321393508.db2.gz OBNPXZGRVSDEBY-HNNXBMFYSA-N 1 0 337.427 3.334 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CO1 ZINC000842674040 1321416709 /nfs/dbraw/zinc/41/67/09/1321416709.db2.gz WJGBAYZXNXFJPD-TZMCWYRMSA-N 1 0 326.387 3.024 20 10 EGCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000842753060 1321427393 /nfs/dbraw/zinc/42/73/93/1321427393.db2.gz BSYBMTMHIHKFTF-MFKMUULPSA-N 1 0 346.265 3.050 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(=O)NCc1cccs1 ZINC000842911056 1321448331 /nfs/dbraw/zinc/44/83/31/1321448331.db2.gz WNMVAIPSNLEBEE-ABAIWWIYSA-N 1 0 336.432 3.338 20 10 EGCDRO Cc1ccc(NC(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)c(F)c1 ZINC000843349934 1321503201 /nfs/dbraw/zinc/50/32/01/1321503201.db2.gz MYAPHTNJGHCSKR-CQSZACIVSA-N 1 0 341.430 3.373 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000843487446 1321522402 /nfs/dbraw/zinc/52/24/02/1321522402.db2.gz GJRZJFRTVUYINH-INIZCTEOSA-N 1 0 331.504 3.127 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000844172942 1321575548 /nfs/dbraw/zinc/57/55/48/1321575548.db2.gz KSXNOKYXTFDENW-IBGZPJMESA-N 1 0 325.456 3.157 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000844186429 1321576872 /nfs/dbraw/zinc/57/68/72/1321576872.db2.gz JNQFGQXBWNEICJ-KRWDZBQOSA-N 1 0 331.847 3.031 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000846115826 1321769154 /nfs/dbraw/zinc/76/91/54/1321769154.db2.gz BQQBNJVEMMSLPK-ZDUSSCGKSA-N 1 0 348.187 3.394 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)N(C)C)c1O ZINC000846135461 1321770047 /nfs/dbraw/zinc/77/00/47/1321770047.db2.gz DAZORJVBOZFLEV-NVXWUHKLSA-N 1 0 328.456 3.224 20 10 EGCDRO COCCOc1ccccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846141829 1321770614 /nfs/dbraw/zinc/77/06/14/1321770614.db2.gz ADGHAGQTTBYBGS-AWEZNQCLSA-N 1 0 331.412 3.277 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1O ZINC000846140944 1321770641 /nfs/dbraw/zinc/77/06/41/1321770641.db2.gz AYMWDFWUXWTDBL-AWEZNQCLSA-N 1 0 334.460 3.089 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(N3CCCC3=O)c2)c1O ZINC000846139989 1321770759 /nfs/dbraw/zinc/77/07/59/1321770759.db2.gz XJSFPQVHHSDRRU-CQSZACIVSA-N 1 0 340.423 3.378 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1O ZINC000846140247 1321770793 /nfs/dbraw/zinc/77/07/93/1321770793.db2.gz KUAXRFLFIVOZNT-CYBMUJFWSA-N 1 0 334.460 3.089 20 10 EGCDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846142267 1321771004 /nfs/dbraw/zinc/77/10/04/1321771004.db2.gz ZMQIEKZPQRKHRO-CQSZACIVSA-N 1 0 348.487 3.479 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CC2(N(C)C)Cc3ccccc3C2)c1O ZINC000846146216 1321771509 /nfs/dbraw/zinc/77/15/09/1321771509.db2.gz ONOSMLYRYZTPFY-OAHLLOKOSA-N 1 0 340.467 3.151 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1F ZINC000848527918 1321969009 /nfs/dbraw/zinc/96/90/09/1321969009.db2.gz IDVJCMLCONORIQ-SFHVURJKSA-N 1 0 349.494 3.015 20 10 EGCDRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)C(=O)OC(C)(C)C ZINC000848566470 1321978035 /nfs/dbraw/zinc/97/80/35/1321978035.db2.gz YOPRFLYZVINMFA-JTQLQIEISA-N 1 0 344.249 3.222 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1O ZINC000848895525 1322034889 /nfs/dbraw/zinc/03/48/89/1322034889.db2.gz WBEIYVLMGROGFG-LJQANCHMSA-N 1 0 338.451 3.408 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](CC)C(=O)NCc2cccs2)c1O ZINC000848919815 1322046087 /nfs/dbraw/zinc/04/60/87/1322046087.db2.gz SSUCTQKTZQUPMK-INIZCTEOSA-N 1 0 332.469 3.201 20 10 EGCDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2O)c1 ZINC000849058490 1322061905 /nfs/dbraw/zinc/06/19/05/1322061905.db2.gz GYBYGGQUJQXRGD-UHFFFAOYSA-N 1 0 329.400 3.326 20 10 EGCDRO Cc1c[nH]c(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000850163502 1322201494 /nfs/dbraw/zinc/20/14/94/1322201494.db2.gz FUCLAWVOVNHOTD-ZDUSSCGKSA-N 1 0 336.386 3.078 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(C(C)(C)C)C3)CC2)cc1 ZINC000850351324 1322231817 /nfs/dbraw/zinc/23/18/17/1322231817.db2.gz MROXYEJHJJNNKD-QGZVFWFLSA-N 1 0 331.504 3.126 20 10 EGCDRO COCc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405879 1322240936 /nfs/dbraw/zinc/24/09/36/1322240936.db2.gz JCQFEZRORTYUML-UHFFFAOYSA-N 1 0 340.467 3.084 20 10 EGCDRO CN(C)c1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406203 1322241010 /nfs/dbraw/zinc/24/10/10/1322241010.db2.gz XIBFSUYVGXHKQD-UHFFFAOYSA-N 1 0 339.483 3.004 20 10 EGCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000850466226 1322254496 /nfs/dbraw/zinc/25/44/96/1322254496.db2.gz FVSQNSSALHPBCG-GJZGRUSLSA-N 1 0 347.894 3.346 20 10 EGCDRO C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1[O-] ZINC000850516679 1322260009 /nfs/dbraw/zinc/26/00/09/1322260009.db2.gz JUNQXAORJQGRCV-OAHLLOKOSA-N 1 0 343.446 3.489 20 10 EGCDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000850557857 1322266928 /nfs/dbraw/zinc/26/69/28/1322266928.db2.gz YVUVFWQJUQQFQR-DGCLKSJQSA-N 1 0 327.266 3.290 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c2c1c(F)ccc2O ZINC000850563170 1322268665 /nfs/dbraw/zinc/26/86/65/1322268665.db2.gz TZLMMHUPQCJNQP-BBEGDGIKSA-N 1 0 337.435 3.237 20 10 EGCDRO FC(F)(F)CN1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922032991 1322442738 /nfs/dbraw/zinc/44/27/38/1322442738.db2.gz RAHCPWPTPQNFTP-UHFFFAOYSA-N 1 0 342.405 3.376 20 10 EGCDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)C1 ZINC000852631129 1323219172 /nfs/dbraw/zinc/21/91/72/1323219172.db2.gz IGFNFPOILKXKER-GOSISDBHSA-N 1 0 346.519 3.159 20 10 EGCDRO CN(C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000852820567 1323246163 /nfs/dbraw/zinc/24/61/63/1323246163.db2.gz XYBFHIUWHMNLHF-ZDUSSCGKSA-N 1 0 326.444 3.061 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853092582 1323278933 /nfs/dbraw/zinc/27/89/33/1323278933.db2.gz BWFDVFMKOTYKOI-CYBMUJFWSA-N 1 0 326.843 3.396 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2cc[nH]c2)cc1C ZINC001024971148 1323805526 /nfs/dbraw/zinc/80/55/26/1323805526.db2.gz HMJNJMYVIRSLDT-GOSISDBHSA-N 1 0 341.455 3.116 20 10 EGCDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000860067523 1329139702 /nfs/dbraw/zinc/13/97/02/1329139702.db2.gz LXCOQIJRMADBFU-UHFFFAOYSA-N 1 0 334.504 3.285 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C4CCC4)C[C@@H]23)cc1C ZINC001026165502 1324633467 /nfs/dbraw/zinc/63/34/67/1324633467.db2.gz FPSDXEYWSBUEJJ-GUDVDZBRSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)c3cc[nH]c3)CC2)cc1C ZINC001026498822 1324849715 /nfs/dbraw/zinc/84/97/15/1324849715.db2.gz IXWYDAKTKITISU-UHFFFAOYSA-N 1 0 341.455 3.163 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853241022 1325070602 /nfs/dbraw/zinc/07/06/02/1325070602.db2.gz RUAPBALNDVGKPP-DZGCQCFKSA-N 1 0 333.432 3.073 20 10 EGCDRO C/C(=C\C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccs1 ZINC000856993194 1325552392 /nfs/dbraw/zinc/55/23/92/1325552392.db2.gz ABJQJOQCEINLKB-BYIUCRAPSA-N 1 0 329.469 3.034 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC[C@H]3CCCO)C2)cc1 ZINC000926613121 1327635730 /nfs/dbraw/zinc/63/57/30/1327635730.db2.gz SUCGGDHEKLNURC-LQWHRVPQSA-N 1 0 346.515 3.442 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C3CC4(C3)CCCC4)cc2)CC1 ZINC000926872198 1327748802 /nfs/dbraw/zinc/74/88/02/1327748802.db2.gz AVOSPSNRZZHYDR-UHFFFAOYSA-N 1 0 341.499 3.201 20 10 EGCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862337731 1329476098 /nfs/dbraw/zinc/47/60/98/1329476098.db2.gz ZJNONUKCTPQOHT-UHIISALHSA-N 1 0 328.250 3.136 20 10 EGCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(O)cccc1Br ZINC000862365295 1329478670 /nfs/dbraw/zinc/47/86/70/1329478670.db2.gz ONDVBZIHRQARQU-STQMWFEESA-N 1 0 339.277 3.213 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)CC1(C)C ZINC000862385759 1329481206 /nfs/dbraw/zinc/48/12/06/1329481206.db2.gz DHPQYXNPHHMXJR-AWEZNQCLSA-N 1 0 328.250 3.402 20 10 EGCDRO CN(C)c1cc(F)c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000862247904 1329470683 /nfs/dbraw/zinc/47/06/83/1329470683.db2.gz OCSWHQSHAZNNGO-MRXNPFEDSA-N 1 0 337.458 3.481 20 10 EGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(O)cccc1Br ZINC000862367176 1329478292 /nfs/dbraw/zinc/47/82/92/1329478292.db2.gz YKFSDYGDIXNGPP-SWLSCSKDSA-N 1 0 339.277 3.213 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000862387659 1329481024 /nfs/dbraw/zinc/48/10/24/1329481024.db2.gz PLAKWJMMYRPPRI-HNNXBMFYSA-N 1 0 326.234 3.157 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000862484736 1329490767 /nfs/dbraw/zinc/49/07/67/1329490767.db2.gz AIANTXKYTXQHFL-KGLIPLIRSA-N 1 0 335.444 3.201 20 10 EGCDRO COc1cc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(O)cc1C ZINC000863332843 1329547000 /nfs/dbraw/zinc/54/70/00/1329547000.db2.gz LEMIRJOZKSYPMW-CYBMUJFWSA-N 1 0 338.448 3.054 20 10 EGCDRO COc1cccc(Nc2ccc(NC[C@H](O)C[NH+]3CCCC3)cc2)c1 ZINC000863568978 1329563727 /nfs/dbraw/zinc/56/37/27/1329563727.db2.gz QFTPKVHFFNQEPU-IBGZPJMESA-N 1 0 341.455 3.307 20 10 EGCDRO COCCc1ncc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000865603885 1329718885 /nfs/dbraw/zinc/71/88/85/1329718885.db2.gz ONJRAMXMYSCMOK-HNNXBMFYSA-N 1 0 347.528 3.427 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1O ZINC000865879640 1329748508 /nfs/dbraw/zinc/74/85/08/1329748508.db2.gz PUHVMOKNKXIZDA-UHFFFAOYSA-N 1 0 328.412 3.060 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(Br)cnn2C)c(O)c1C ZINC000866431277 1330111262 /nfs/dbraw/zinc/11/12/62/1330111262.db2.gz MTCCKFUCXPIIBK-LLVKDONJSA-N 1 0 338.249 3.356 20 10 EGCDRO CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009675621 1337058803 /nfs/dbraw/zinc/05/88/03/1337058803.db2.gz SELLAVHJWYIVCB-MRXNPFEDSA-N 1 0 343.431 3.009 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)/C=C/c3ccco3)C2)cc1C ZINC001018437292 1339618483 /nfs/dbraw/zinc/61/84/83/1339618483.db2.gz CUMIAMVTQGOBGK-JKNJVXJCSA-N 1 0 340.423 3.001 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3sccc3F)C2)cc1C ZINC001018811686 1339733024 /nfs/dbraw/zinc/73/30/24/1339733024.db2.gz ZJBVNRUZCVJMNS-AWEZNQCLSA-N 1 0 348.443 3.209 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccsc3C)C2)cc1C ZINC001018822707 1339734829 /nfs/dbraw/zinc/73/48/29/1339734829.db2.gz STAQMAWAZFEMFU-INIZCTEOSA-N 1 0 344.480 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC3CC3)C[C@H]2C)cc1C ZINC001035885453 1343248500 /nfs/dbraw/zinc/24/85/00/1343248500.db2.gz IETBLUOQBLLZKP-QAPCUYQASA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2ccoc2)cc1C ZINC001036945799 1343887490 /nfs/dbraw/zinc/88/74/90/1343887490.db2.gz CORQXLZMCRUQGX-AEFFLSMTSA-N 1 0 342.439 3.285 20 10 EGCDRO CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061493 1344744258 /nfs/dbraw/zinc/74/42/58/1344744258.db2.gz QEBXVQHKJFGEKJ-MRXNPFEDSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C(C)(C)C)C2)cc1C ZINC001048034698 1347445457 /nfs/dbraw/zinc/44/54/57/1347445457.db2.gz CBSKVBGTXHTHTH-DOTOQJQBSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(F)=C(C)C)C[C@@H]2C)cc1C ZINC001048205227 1347493802 /nfs/dbraw/zinc/49/38/02/1347493802.db2.gz VUOYRUADUKCPNP-DOTOQJQBSA-N 1 0 348.462 3.451 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(F)=C(C)C)C[C@H]2C)cc1C ZINC001048205228 1347493817 /nfs/dbraw/zinc/49/38/17/1347493817.db2.gz VUOYRUADUKCPNP-NVXWUHKLSA-N 1 0 348.462 3.451 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3(C)CCC3)C[C@H]2C)cc1C ZINC001048341661 1347524170 /nfs/dbraw/zinc/52/41/70/1347524170.db2.gz BKQHFSKWDCORLL-AEFFLSMTSA-N 1 0 344.499 3.378 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001074899897 1356282244 /nfs/dbraw/zinc/28/22/44/1356282244.db2.gz RQONOLMMVLZOSF-HPBDAGMYSA-N 1 0 330.472 3.129 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CCC3)C23CCC3)cc1C ZINC001078526687 1356994922 /nfs/dbraw/zinc/99/49/22/1356994922.db2.gz SLMQNZIWGRVERT-OALUTQOASA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cccs3)C2)cc1C ZINC001086018196 1358967300 /nfs/dbraw/zinc/96/73/00/1358967300.db2.gz IAWCMGBQSCNVEM-IYBDPMFKSA-N 1 0 344.480 3.363 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC=CCC3)C2)cc1C ZINC001086027620 1358972195 /nfs/dbraw/zinc/97/21/95/1358972195.db2.gz YUAGMLGIYVPSCI-GBESFXJTSA-N 1 0 342.483 3.344 20 10 EGCDRO CC[C@]1(C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086239499 1359037028 /nfs/dbraw/zinc/03/70/28/1359037028.db2.gz GFJYTWGCIRYTAL-TWFHAPMSSA-N 1 0 344.499 3.424 20 10 EGCDRO CCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001088432128 1359900321 /nfs/dbraw/zinc/90/03/21/1359900321.db2.gz NCUSGFWIMWIUSG-MRXNPFEDSA-N 1 0 345.447 3.233 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1(F)F ZINC001324207668 1387557327 /nfs/dbraw/zinc/55/73/27/1387557327.db2.gz ICFGOALFEDKZRR-CQSZACIVSA-N 1 0 341.421 3.055 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)CCC3CC3)C2)cc1C ZINC001100204487 1364043961 /nfs/dbraw/zinc/04/39/61/1364043961.db2.gz OHKHIKBXIBGVMW-UHFFFAOYSA-N 1 0 330.472 3.178 20 10 EGCDRO Cc1csc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001324716948 1387750047 /nfs/dbraw/zinc/75/00/47/1387750047.db2.gz SGJPOMSCJNIBMB-UHFFFAOYSA-N 1 0 342.512 3.374 20 10 EGCDRO O=C1COc2ccccc2N1CC[NH2+]Cc1ccc2ccccc2c1O ZINC001325012019 1387874392 /nfs/dbraw/zinc/87/43/92/1387874392.db2.gz WENPXXAYYFGUHX-UHFFFAOYSA-N 1 0 348.402 3.061 20 10 EGCDRO O=C(NCC1CCCCC1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001186894085 1388022781 /nfs/dbraw/zinc/02/27/81/1388022781.db2.gz JQLLRIZJQVUMSE-UHFFFAOYSA-N 1 0 345.487 3.236 20 10 EGCDRO C[NH+](C)CCN(Cc1ccc(N2CCCC2)cc1)Cc1ccccn1 ZINC001325712810 1388033260 /nfs/dbraw/zinc/03/32/60/1388033260.db2.gz DFCILSHPNGKWMU-UHFFFAOYSA-N 1 0 338.499 3.246 20 10 EGCDRO O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1ccccc1O)C2 ZINC001203552960 1370167533 /nfs/dbraw/zinc/16/75/33/1370167533.db2.gz WZZOKDAMDDPHCU-IBGZPJMESA-N 1 0 342.464 3.473 20 10 EGCDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203561347 1370169919 /nfs/dbraw/zinc/16/99/19/1370169919.db2.gz RGLNTCYVESRCMP-OAHLLOKOSA-N 1 0 334.460 3.471 20 10 EGCDRO COc1cccc(C[N@@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)c1O ZINC001203599189 1370183028 /nfs/dbraw/zinc/18/30/28/1370183028.db2.gz BYKTXBWIUCPDPA-OAHLLOKOSA-N 1 0 343.423 3.190 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c1O ZINC001203608962 1370186799 /nfs/dbraw/zinc/18/67/99/1370186799.db2.gz CNWDYKUFENLZDA-UHFFFAOYSA-N 1 0 345.414 3.414 20 10 EGCDRO 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EGCDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001140058759 1377998322 /nfs/dbraw/zinc/99/83/22/1377998322.db2.gz LEEPQRIUMDHUJG-UHFFFAOYSA-N 1 0 337.782 3.018 20 10 EGCDRO Oc1ccc(F)cc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001140060440 1377998488 /nfs/dbraw/zinc/99/84/88/1377998488.db2.gz WBNOYUNYGCJVGW-APWZRJJASA-N 1 0 326.415 3.238 20 10 EGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001140060102 1377998557 /nfs/dbraw/zinc/99/85/57/1377998557.db2.gz KOBWKTIERPOIFB-HNNXBMFYSA-N 1 0 338.423 3.363 20 10 EGCDRO C[N@H+](C1CC1)C1CCN(Cc2c(O)cccc2Br)CC1 ZINC001140103962 1378008769 /nfs/dbraw/zinc/00/87/69/1378008769.db2.gz VUOVARABVGNRMZ-UHFFFAOYSA-N 1 0 339.277 3.213 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1O ZINC001140179471 1378026718 /nfs/dbraw/zinc/02/67/18/1378026718.db2.gz KYUOGAOEJQHVTO-QGZVFWFLSA-N 1 0 330.472 3.234 20 10 EGCDRO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4c(C)ccc(C)c4O)C[C@H]3O2)n1 ZINC001140181612 1378027083 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COc1ccc(O[C@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC001140624452 1378100449 /nfs/dbraw/zinc/10/04/49/1378100449.db2.gz XHNRNWMXMWEEMI-KRWDZBQOSA-N 1 0 328.412 3.148 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1O ZINC001140745576 1378128317 /nfs/dbraw/zinc/12/83/17/1378128317.db2.gz KYKKIIYIJJUOAN-UHFFFAOYSA-N 1 0 325.408 3.428 20 10 EGCDRO Cc1c(O)ccc(CN2CCC[C@H]2C(=O)OCc2ccccc2)c1O ZINC001140742562 1378128439 /nfs/dbraw/zinc/12/84/39/1378128439.db2.gz RZNLCEKZNBSMIR-KRWDZBQOSA-N 1 0 341.407 3.114 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1O ZINC001140745350 1378128466 /nfs/dbraw/zinc/12/84/66/1378128466.db2.gz GQQAETHMJKLOJO-MJGOQNOKSA-N 1 0 338.451 3.113 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1O ZINC001140745967 1378128598 /nfs/dbraw/zinc/12/85/98/1378128598.db2.gz QVEWBNJOCVDPGO-UHFFFAOYSA-N 1 0 335.407 3.150 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3)CC2)c1O ZINC001140751408 1378129622 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Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1 ZINC001140952050 1378189730 /nfs/dbraw/zinc/18/97/30/1378189730.db2.gz COPYDABYALYQBC-IYBDPMFKSA-N 1 0 332.444 3.284 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140954514 1378191388 /nfs/dbraw/zinc/19/13/88/1378191388.db2.gz VJJAWOKPCGSHOW-HOTGVXAUSA-N 1 0 332.444 3.284 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(c3ccc(O)cc3)CC2)c(OC)c1 ZINC001141030652 1378211814 /nfs/dbraw/zinc/21/18/14/1378211814.db2.gz FKXXZKWFSJALQO-UHFFFAOYSA-N 1 0 343.423 3.495 20 10 EGCDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141161961 1378254648 /nfs/dbraw/zinc/25/46/48/1378254648.db2.gz IMDOYKGVGYPALR-OAHLLOKOSA-N 1 0 333.428 3.043 20 10 EGCDRO C[N@@H+](Cc1cc(O)ccc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001141161382 1378255086 /nfs/dbraw/zinc/25/50/86/1378255086.db2.gz QXXICEXCDSYXON-QGZVFWFLSA-N 1 0 326.440 3.052 20 10 EGCDRO C[N@H+](Cc1cccc(F)c1)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162048 1378255237 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COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC3CCC2CC3)cc1C ZINC001152658836 1379964210 /nfs/dbraw/zinc/96/42/10/1379964210.db2.gz FOKMHCIYCJXJOB-VJFUWPCTSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(C)s2)cc1C ZINC001154214753 1380230418 /nfs/dbraw/zinc/23/04/18/1380230418.db2.gz BNEWCLBPTOVGJL-UHFFFAOYSA-N 1 0 332.469 3.283 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(Cl)o2)cc1C ZINC001154624393 1380319620 /nfs/dbraw/zinc/31/96/20/1380319620.db2.gz LQDSEKWUPLIDQH-UHFFFAOYSA-N 1 0 336.819 3.160 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C=C2CCCCC2)cc1C ZINC001155343890 1380440180 /nfs/dbraw/zinc/44/01/80/1380440180.db2.gz SHQKZKONXRRVRC-UHFFFAOYSA-N 1 0 330.472 3.490 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC001157431892 1380889831 /nfs/dbraw/zinc/88/98/31/1380889831.db2.gz AUNAHZNTBXFYND-PKOBYXMFSA-N 1 0 338.451 3.449 20 10 EGCDRO CCOC(=O)c1c[n-]c2nc[nH+]c(NCc3c(C)cc(C)cc3O)c12 ZINC001160808277 1382202945 /nfs/dbraw/zinc/20/29/45/1382202945.db2.gz PJJBMMDCAZVWHL-UHFFFAOYSA-N 1 0 340.383 3.021 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2C=CCCC2)cc1C ZINC001160809696 1382204276 /nfs/dbraw/zinc/20/42/76/1382204276.db2.gz YONFOYVHQUWDMD-QGZVFWFLSA-N 1 0 330.472 3.346 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2c(C)oc(C)c2C)cc1C ZINC001162112682 1382631766 /nfs/dbraw/zinc/63/17/66/1382631766.db2.gz OIPYFCGUKMDQFA-UHFFFAOYSA-N 1 0 344.455 3.432 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001328680572 1388805379 /nfs/dbraw/zinc/80/53/79/1388805379.db2.gz GTLSHMWKXXALGG-OAQYLSRUSA-N 1 0 338.499 3.142 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3CC3(C)C)CC2)cc1C ZINC001164126287 1383158978 /nfs/dbraw/zinc/15/89/78/1383158978.db2.gz SSKPESCNMCUVFV-QGZVFWFLSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCNc3ncccc3C)CC2)cc1 ZINC001164328194 1383178148 /nfs/dbraw/zinc/17/81/48/1383178148.db2.gz TUPVUXUSTYINSA-UHFFFAOYSA-N 1 0 340.471 3.023 20 10 EGCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc2cc[nH]c21 ZINC001167436959 1383633383 /nfs/dbraw/zinc/63/33/83/1383633383.db2.gz IXDQEICWEDBTJF-UHFFFAOYSA-N 1 0 335.455 3.235 20 10 EGCDRO Oc1c(CNc2ccc3c(n2)C[NH2+]CC3)cc(Cl)c2cccnc12 ZINC001168522048 1383929126 /nfs/dbraw/zinc/92/91/26/1383929126.db2.gz NZMAAEGAADCCPP-UHFFFAOYSA-N 1 0 340.814 3.247 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C(F)F)cc1C ZINC001168700727 1383972116 /nfs/dbraw/zinc/97/21/16/1383972116.db2.gz IQWKOFZRIIVOIS-ZDUSSCGKSA-N 1 0 328.403 3.033 20 10 EGCDRO O=C(OC1CCC([NH2+]Cc2ccc(O)cc2O)CC1)c1ccccc1 ZINC001169280527 1384131623 /nfs/dbraw/zinc/13/16/23/1384131623.db2.gz RCLOUEXUDHTUQF-UHFFFAOYSA-N 1 0 341.407 3.356 20 10 EGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC001170307539 1384286855 /nfs/dbraw/zinc/28/68/55/1384286855.db2.gz HFHZWLLMPUXODI-CYBMUJFWSA-N 1 0 342.395 3.259 20 10 EGCDRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(N)cc1 ZINC001335737036 1388914816 /nfs/dbraw/zinc/91/48/16/1388914816.db2.gz KHSGIPKPNWHIKC-UHFFFAOYSA-N 1 0 332.492 3.066 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172166070 1384740604 /nfs/dbraw/zinc/74/06/04/1384740604.db2.gz MJWDCRVWTACOEP-SXGZJXTBSA-N 1 0 342.483 3.375 20 10 EGCDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC001172758012 1384844763 /nfs/dbraw/zinc/84/47/63/1384844763.db2.gz DNRAJOJQFBSIRL-LLVKDONJSA-N 1 0 344.249 3.365 20 10 EGCDRO CCOc1ccc(N2CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2)cc1 ZINC001172760857 1384846135 /nfs/dbraw/zinc/84/61/35/1384846135.db2.gz AZYNNVNNZUTHAE-KRWDZBQOSA-N 1 0 348.487 3.328 20 10 EGCDRO COC(=O)c1ccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001173714946 1385007674 /nfs/dbraw/zinc/00/76/74/1385007674.db2.gz LLWHANQEXYETLC-AWEZNQCLSA-N 1 0 325.408 3.129 20 10 EGCDRO Cc1cc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC001174656797 1385131005 /nfs/dbraw/zinc/13/10/05/1385131005.db2.gz HLUSFFOJKMPMLI-UHFFFAOYSA-N 1 0 330.343 3.037 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001174713143 1385138883 /nfs/dbraw/zinc/13/88/83/1385138883.db2.gz NLADMEVMDAVYGJ-UWWQBHOKSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C(C)(C)C(C)(F)F)cc1C ZINC001174752262 1385144218 /nfs/dbraw/zinc/14/42/18/1385144218.db2.gz DKOPGUBZIMZJMP-UHFFFAOYSA-N 1 0 342.430 3.281 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(F)cc2F)cc1C ZINC001175064312 1385188336 /nfs/dbraw/zinc/18/83/36/1385188336.db2.gz DTKNBSOUFFROLU-UHFFFAOYSA-N 1 0 348.393 3.192 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)c1O ZINC001319952343 1386413705 /nfs/dbraw/zinc/41/37/05/1386413705.db2.gz ZVVYPGZMCMBUIK-GJZGRUSLSA-N 1 0 341.293 3.426 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)NCC(F)(F)F ZINC001320420016 1386605243 /nfs/dbraw/zinc/60/52/43/1386605243.db2.gz JPAQODZQHRRKEW-WDEREUQCSA-N 1 0 340.345 3.263 20 10 EGCDRO CN(C)c1ccc(C=CC(=O)NCCc2c[nH]c3cc[nH+]cc23)cc1 ZINC001180130204 1386706100 /nfs/dbraw/zinc/70/61/00/1386706100.db2.gz BCJFOTPHLVWIBC-VMPITWQZSA-N 1 0 334.423 3.001 20 10 EGCDRO CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001180253947 1386747641 /nfs/dbraw/zinc/74/76/41/1386747641.db2.gz PVYWYJASGIQGDK-XEZPLFJOSA-N 1 0 345.447 3.088 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001322121978 1387064490 /nfs/dbraw/zinc/06/44/90/1387064490.db2.gz QNWBSBIDOBYCRJ-OIISXLGYSA-N 1 0 333.472 3.264 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N)cc3)C[C@@H]2C1 ZINC001336284642 1389058865 /nfs/dbraw/zinc/05/88/65/1389058865.db2.gz BFVURQSZCKBDTG-LZLYRXPVSA-N 1 0 345.487 3.394 20 10 EGCDRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001338005205 1389513823 /nfs/dbraw/zinc/51/38/23/1389513823.db2.gz ORMVAKXKTVVDMD-RDPSFJRHSA-N 1 0 342.508 3.496 20 10 EGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC001331271558 1389679409 /nfs/dbraw/zinc/67/94/09/1389679409.db2.gz KVBZUZWZNPFHOP-AWEZNQCLSA-N 1 0 330.266 3.287 20 10 EGCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC001338750553 1389752120 /nfs/dbraw/zinc/75/21/20/1389752120.db2.gz FLPYOFYGPUIIBY-LJQANCHMSA-N 1 0 342.458 3.367 20 10 EGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1c(O)cccc1Br ZINC001335157953 1390649909 /nfs/dbraw/zinc/64/99/09/1390649909.db2.gz WOKQWEXNHZGYMG-SNVBAGLBSA-N 1 0 344.249 3.365 20 10 EGCDRO Nc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC001335284429 1390666403 /nfs/dbraw/zinc/66/64/03/1390666403.db2.gz CGEVWMSSHPNUAI-UHFFFAOYSA-N 1 0 344.846 3.168 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001348112898 1391174696 /nfs/dbraw/zinc/17/46/96/1391174696.db2.gz AFDWXZDXHAMHMQ-NXHRZFHOSA-N 1 0 330.472 3.251 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)CC(C)(C)C)C2CC2)cc1C ZINC001752452535 1440182613 /nfs/dbraw/zinc/18/26/13/1440182613.db2.gz UEDPNKJHWKRZHJ-KRWDZBQOSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)C(C)(F)F)cc1C ZINC001752915527 1440247018 /nfs/dbraw/zinc/24/70/18/1440247018.db2.gz YNYNVNMVBMWWCF-ZDUSSCGKSA-N 1 0 342.430 3.279 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2CC3(CCC3)C2)cc1C ZINC001754239996 1440555500 /nfs/dbraw/zinc/55/55/00/1440555500.db2.gz ZMDCUBQNZDIRHW-OAHLLOKOSA-N 1 0 330.472 3.178 20 10 EGCDRO CCc1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001754292923 1440565733 /nfs/dbraw/zinc/56/57/33/1440565733.db2.gz XJAPCLXLYVDCRK-INIZCTEOSA-N 1 0 340.467 3.474 20 10 EGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)c2scnc2C)cc1C ZINC001754359075 1440591902 /nfs/dbraw/zinc/59/19/02/1440591902.db2.gz CKKRRIKDFSIYBO-UHFFFAOYSA-N 1 0 347.484 3.020 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2ccoc2)cc1C ZINC001755229688 1440786701 /nfs/dbraw/zinc/78/67/01/1440786701.db2.gz DSQOYGZQQZXMBB-CVEARBPZSA-N 1 0 344.455 3.212 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2ccoc2)cc1C ZINC001755229690 1440786759 /nfs/dbraw/zinc/78/67/59/1440786759.db2.gz DSQOYGZQQZXMBB-HZPDHXFCSA-N 1 0 344.455 3.212 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)c2ccoc2)cc1C ZINC001755558411 1440873974 /nfs/dbraw/zinc/87/39/74/1440873974.db2.gz XXNNELWDJAMHDZ-SFHVURJKSA-N 1 0 342.439 3.237 20 10 EGCDRO CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001593264173 994563636 /nfs/dbraw/zinc/56/36/36/994563636.db2.gz GLSNEYQCRNGRQN-AWEZNQCLSA-N 1 0 334.460 3.252 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H](CO)Cc2ccccc2C)ccc1OC ZINC000188916953 1126077122 /nfs/dbraw/zinc/07/71/22/1126077122.db2.gz RHLSSXMYIZDCAE-FQEVSTJZSA-N 1 0 343.467 3.233 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)Cc2ccccc2)cc1F ZINC000782544140 1126109633 /nfs/dbraw/zinc/10/96/33/1126109633.db2.gz LOPUVAGRZVGJAE-SFHVURJKSA-N 1 0 330.447 3.365 20 10 EGCDRO O=C(/C=C\c1cncs1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000493542542 311392446 /nfs/dbraw/zinc/39/24/46/311392446.db2.gz GALBAEJHFMLXRR-LZNQSLFOSA-N 1 0 325.437 3.168 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287770024 456077411 /nfs/dbraw/zinc/07/74/11/456077411.db2.gz RLIQJGLEZDWWNM-DOMZBBRYSA-N 1 0 347.286 3.196 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](O)c1ccccc1 ZINC000288587458 456100666 /nfs/dbraw/zinc/10/06/66/456100666.db2.gz OJEFRCVESRDOOQ-ZBEGNZNMSA-N 1 0 336.229 3.366 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2ccc(Cl)cc2F)cc1OC ZINC000189688295 455231070 /nfs/dbraw/zinc/23/10/70/455231070.db2.gz KXBYBNNNJKQWOH-UHFFFAOYSA-N 1 0 325.767 3.492 20 10 EGCDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000158643670 455318872 /nfs/dbraw/zinc/31/88/72/455318872.db2.gz IJKYPNGJRQBZFT-MRXNPFEDSA-N 1 0 346.496 3.267 20 10 EGCDRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000089594706 454165047 /nfs/dbraw/zinc/16/50/47/454165047.db2.gz SDTINZQFPDWTLZ-SFHVURJKSA-N 1 0 345.531 3.438 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121165594 454400700 /nfs/dbraw/zinc/40/07/00/454400700.db2.gz BMYUXOVVZUWXCM-LLVKDONJSA-N 1 0 336.233 3.257 20 10 EGCDRO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000121421476 454433060 /nfs/dbraw/zinc/43/30/60/454433060.db2.gz QIMNMALHMQPAIH-ZENOOKHLSA-N 1 0 326.387 3.024 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c(O)c1 ZINC000091833050 454478359 /nfs/dbraw/zinc/47/83/59/454478359.db2.gz XTYUEGQBXCIWNQ-OAHLLOKOSA-N 1 0 331.416 3.252 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000092056953 454510636 /nfs/dbraw/zinc/51/06/36/454510636.db2.gz YEUMMYLVGVSPAM-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000092480714 454572571 /nfs/dbraw/zinc/57/25/71/454572571.db2.gz RNCXWTNEAFALQW-UHFFFAOYSA-N 1 0 339.439 3.487 20 10 EGCDRO Oc1cccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)CC2CC2)c1 ZINC000092670866 454606012 /nfs/dbraw/zinc/60/60/12/454606012.db2.gz YEZCCAOLMIEZBO-UHFFFAOYSA-N 1 0 327.380 3.239 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1 ZINC000092740583 454621755 /nfs/dbraw/zinc/62/17/55/454621755.db2.gz GAROZFZWGWQVJF-MRXNPFEDSA-N 1 0 325.456 3.141 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)CC1=CCCOC1 ZINC000093866973 454742275 /nfs/dbraw/zinc/74/22/75/454742275.db2.gz YOGOCRXLIOROND-UHFFFAOYSA-N 1 0 326.234 3.323 20 10 EGCDRO CC(C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000109770472 454835208 /nfs/dbraw/zinc/83/52/08/454835208.db2.gz OSZVOHIQPDKQDY-UHFFFAOYSA-N 1 0 326.440 3.410 20 10 EGCDRO CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1 ZINC000109769968 454835375 /nfs/dbraw/zinc/83/53/75/454835375.db2.gz CYLLBEOBHVQFQU-ZDUSSCGKSA-N 1 0 326.396 3.054 20 10 EGCDRO CC(=O)c1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1 ZINC000109770204 454836187 /nfs/dbraw/zinc/83/61/87/454836187.db2.gz KMHUKDBNJTXQQF-ZDUSSCGKSA-N 1 0 326.396 3.054 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1 ZINC000111405783 454863902 /nfs/dbraw/zinc/86/39/02/454863902.db2.gz RUQQSIXRBFANAX-UHFFFAOYSA-N 1 0 337.467 3.165 20 10 EGCDRO Cc1ncc(/C=C/C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)s1 ZINC000112237119 454883038 /nfs/dbraw/zinc/88/30/38/454883038.db2.gz KXMVLSJDCDQUPO-ROJDOSBLSA-N 1 0 339.464 3.476 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000177975899 454923797 /nfs/dbraw/zinc/92/37/97/454923797.db2.gz AFAJQRJRPMPYGY-MRXNPFEDSA-N 1 0 348.454 3.113 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(N(C)C)cc1 ZINC000168144176 454924903 /nfs/dbraw/zinc/92/49/03/454924903.db2.gz CGHNRUAYTAIPBX-GDBMZVCRSA-N 1 0 328.435 3.216 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000182324592 455488908 /nfs/dbraw/zinc/48/89/08/455488908.db2.gz PJLQVYRVODIZEL-INIZCTEOSA-N 1 0 325.456 3.028 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000113359305 454925021 /nfs/dbraw/zinc/92/50/21/454925021.db2.gz REIWMWNNLTUQLR-QGZVFWFLSA-N 1 0 331.847 3.195 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(N(C)C)cc1 ZINC000168144085 454925064 /nfs/dbraw/zinc/92/50/64/454925064.db2.gz CGHNRUAYTAIPBX-GOEBONIOSA-N 1 0 328.435 3.216 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000178512934 454958414 /nfs/dbraw/zinc/95/84/14/454958414.db2.gz VZIIENSUPYVLDO-AWEZNQCLSA-N 1 0 331.847 3.168 20 10 EGCDRO CCCC[C@H](COC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151581212 455003824 /nfs/dbraw/zinc/00/38/24/455003824.db2.gz DJMWGTKSFCLXFI-LJQANCHMSA-N 1 0 334.504 3.190 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000185104836 455502475 /nfs/dbraw/zinc/50/24/75/455502475.db2.gz OTERPZDXENUFMF-CYBMUJFWSA-N 1 0 332.469 3.171 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccccc1O ZINC000155705245 455034055 /nfs/dbraw/zinc/03/40/55/455034055.db2.gz CFTCXALYOWXTJY-SJCJKPOMSA-N 1 0 337.366 3.151 20 10 EGCDRO CC[C@@H]([NH2+]CCSCCCO)c1cc(Br)ccc1O ZINC000155713352 455034867 /nfs/dbraw/zinc/03/48/67/455034867.db2.gz ZXILAHLXWRKAAI-CYBMUJFWSA-N 1 0 348.306 3.311 20 10 EGCDRO CC[C@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1ccccc1O ZINC000156474121 455123010 /nfs/dbraw/zinc/12/30/10/455123010.db2.gz QHTQBYRUOJSDBR-SFHVURJKSA-N 1 0 328.412 3.470 20 10 EGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180249708 455151801 /nfs/dbraw/zinc/15/18/01/455151801.db2.gz JHBGMGDREYTUDD-WBVHZDCISA-N 1 0 336.451 3.272 20 10 EGCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000189406377 455191139 /nfs/dbraw/zinc/19/11/39/455191139.db2.gz KOFAPPPSYVXMAU-LSDHHAIUSA-N 1 0 335.467 3.333 20 10 EGCDRO C[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O ZINC000183487085 455298690 /nfs/dbraw/zinc/29/86/90/455298690.db2.gz DFDIIFWSZXQMBE-WBMJQRKESA-N 1 0 325.330 3.493 20 10 EGCDRO COc1cccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1O ZINC000265011454 455299119 /nfs/dbraw/zinc/29/91/19/455299119.db2.gz AODQUQCYTXNXRR-UHFFFAOYSA-N 1 0 330.403 3.430 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000265126200 455300909 /nfs/dbraw/zinc/30/09/09/455300909.db2.gz HEIXSMIJLONFEK-INIZCTEOSA-N 1 0 336.229 3.152 20 10 EGCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2)c1 ZINC000183543645 455304987 /nfs/dbraw/zinc/30/49/87/455304987.db2.gz OLHKMWYPYFGUCB-LSDHHAIUSA-N 1 0 342.439 3.339 20 10 EGCDRO CCOC(=O)COc1ccc(CC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183613593 455312585 /nfs/dbraw/zinc/31/25/85/455312585.db2.gz OKZYOSONAUZJIM-HNNXBMFYSA-N 1 0 343.423 3.227 20 10 EGCDRO CSc1nnc(CCC[NH2+]Cc2cccc(C)c2O)n1CC(C)C ZINC000182205653 455460643 /nfs/dbraw/zinc/46/06/43/455460643.db2.gz INAIZVDLXLIVIS-UHFFFAOYSA-N 1 0 348.516 3.392 20 10 EGCDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1cc(F)ccc1O ZINC000184919447 455472663 /nfs/dbraw/zinc/47/26/63/455472663.db2.gz WTZLODSIRSJDJU-HNAYVOBHSA-N 1 0 344.430 3.255 20 10 EGCDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000185061931 455493920 /nfs/dbraw/zinc/49/39/20/455493920.db2.gz DXCMOWGBLRUAMH-HNNXBMFYSA-N 1 0 330.472 3.324 20 10 EGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185322498 455540363 /nfs/dbraw/zinc/54/03/63/455540363.db2.gz CRHHVFUKRHDAHF-ZIAGYGMSSA-N 1 0 348.468 3.021 20 10 EGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])[C@H](C)C1 ZINC000185461163 455560787 /nfs/dbraw/zinc/56/07/87/455560787.db2.gz CJRIKSOQYPFCCS-VKJFTORMSA-N 1 0 338.467 3.319 20 10 EGCDRO CCN(CC)c1ccc(CN[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000267940920 455566658 /nfs/dbraw/zinc/56/66/58/455566658.db2.gz QFFGEQMFPSEPGL-GOSISDBHSA-N 1 0 344.480 3.151 20 10 EGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)[nH]1 ZINC000271420938 455630364 /nfs/dbraw/zinc/63/03/64/455630364.db2.gz ZJUSPEKWAQGCQX-SFHVURJKSA-N 1 0 339.487 3.483 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C(C)(C)n1cncn1 ZINC000284287831 455662331 /nfs/dbraw/zinc/66/23/31/455662331.db2.gz XTBHJOFEOOEMRP-KRWDZBQOSA-N 1 0 341.503 3.428 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c(O)c1 ZINC000186022734 455678231 /nfs/dbraw/zinc/67/82/31/455678231.db2.gz VMBBLBCDEJLPCV-CZUORRHYSA-N 1 0 328.387 3.296 20 10 EGCDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813808 455714212 /nfs/dbraw/zinc/71/42/12/455714212.db2.gz FPEXOQACVVNVQB-WIYYLYMNSA-N 1 0 345.531 3.174 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000268826183 455715774 /nfs/dbraw/zinc/71/57/74/455715774.db2.gz YYZGZORUBWCQEU-FOIQADDNSA-N 1 0 344.430 3.047 20 10 EGCDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000268972670 455750974 /nfs/dbraw/zinc/75/09/74/455750974.db2.gz ZJHJCXOSRWQZIL-MCIONIFRSA-N 1 0 328.403 3.270 20 10 EGCDRO Cc1ncsc1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000271772026 455753645 /nfs/dbraw/zinc/75/36/45/455753645.db2.gz GFECLNVYBFTZFV-CQSZACIVSA-N 1 0 331.485 3.181 20 10 EGCDRO COC[C@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293267622 455780558 /nfs/dbraw/zinc/78/05/58/455780558.db2.gz CFIXYZQKZLSTKL-HKUYNNGSSA-N 1 0 329.440 3.053 20 10 EGCDRO CCOc1cccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000294677463 455823351 /nfs/dbraw/zinc/82/33/51/455823351.db2.gz BGAOMGRRBCNRNK-UHFFFAOYSA-N 1 0 340.423 3.054 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc2)CC1 ZINC000294971482 455834412 /nfs/dbraw/zinc/83/44/12/455834412.db2.gz OCPSFOWJFWLUGX-LJQANCHMSA-N 1 0 334.504 3.141 20 10 EGCDRO Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000295036326 455836380 /nfs/dbraw/zinc/83/63/80/455836380.db2.gz OZYQWRGECXFFQC-JTQLQIEISA-N 1 0 336.233 3.146 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](CC(C)C)CN2CCCC2)cc1OC ZINC000295169301 455842442 /nfs/dbraw/zinc/84/24/42/455842442.db2.gz UBSSQPGKPBYDMD-INIZCTEOSA-N 1 0 336.476 3.010 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1O ZINC000279271952 455861156 /nfs/dbraw/zinc/86/11/56/455861156.db2.gz NLEJLZGMUSKBSG-QGTPRVQTSA-N 1 0 333.403 3.171 20 10 EGCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000295866605 455861719 /nfs/dbraw/zinc/86/17/19/455861719.db2.gz FXYBHTKUSMZFRD-GJZGRUSLSA-N 1 0 346.450 3.291 20 10 EGCDRO O=C1CCCN1Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295928786 455863556 /nfs/dbraw/zinc/86/35/56/455863556.db2.gz KEWFIZVUYQQPMU-SFHVURJKSA-N 1 0 336.435 3.292 20 10 EGCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC000279577399 455868550 /nfs/dbraw/zinc/86/85/50/455868550.db2.gz BCBBYDRFULEIOA-PXNSSMCTSA-N 1 0 330.472 3.057 20 10 EGCDRO CC[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000279925940 455877596 /nfs/dbraw/zinc/87/75/96/455877596.db2.gz AJXSRQNTTBSQQX-WDSOQIARSA-N 1 0 329.440 3.226 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000272328286 455915765 /nfs/dbraw/zinc/91/57/65/455915765.db2.gz VONLOZAXGOFUSP-DOMZBBRYSA-N 1 0 338.423 3.266 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CCO)c2ccco2)c1O ZINC000187529770 455921644 /nfs/dbraw/zinc/92/16/44/455921644.db2.gz KRIQGAHUKFAQME-ZDUSSCGKSA-N 1 0 340.217 3.269 20 10 EGCDRO CC[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(C)cc1O ZINC000280291907 455938531 /nfs/dbraw/zinc/93/85/31/455938531.db2.gz ZHERKLWCAXTVCE-MRXNPFEDSA-N 1 0 328.460 3.302 20 10 EGCDRO C[C@H]1O[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000296451087 455942299 /nfs/dbraw/zinc/94/22/99/455942299.db2.gz OENPLBJHWBPQPL-BHDXSGHGSA-N 1 0 336.451 3.095 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000262984480 456074780 /nfs/dbraw/zinc/07/47/80/456074780.db2.gz ZCBFHFUBMQYRLC-BLLLJJGKSA-N 1 0 329.419 3.104 20 10 EGCDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000287690382 456076208 /nfs/dbraw/zinc/07/62/08/456076208.db2.gz WQAPMWCQZHMBAB-KRWDZBQOSA-N 1 0 332.488 3.259 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3cscn3)cc2F)CC1 ZINC000271114331 456130730 /nfs/dbraw/zinc/13/07/30/456130730.db2.gz IAZNMWRMIXOAHJ-CQSZACIVSA-N 1 0 348.491 3.275 20 10 EGCDRO COC1CCN(c2ccc(CN3CCC[N@@H+](C(C)C)CC3)cc2)CC1 ZINC000297240078 456158846 /nfs/dbraw/zinc/15/88/46/456158846.db2.gz USLJSIDQXOSSMM-UHFFFAOYSA-N 1 0 345.531 3.218 20 10 EGCDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000297257550 456164459 /nfs/dbraw/zinc/16/44/59/456164459.db2.gz JSRWIXGDEGWQFF-JQWIXIFHSA-N 1 0 349.349 3.187 20 10 EGCDRO COC[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)OCCc2ccccc21 ZINC000297419338 456215920 /nfs/dbraw/zinc/21/59/20/456215920.db2.gz UNWUFARYYKICTI-RXVVDRJESA-N 1 0 339.435 3.084 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c(O)c1C ZINC000273396484 456227656 /nfs/dbraw/zinc/22/76/56/456227656.db2.gz LZTHHGKKIRQPCK-INIZCTEOSA-N 1 0 347.480 3.275 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000273427606 456230406 /nfs/dbraw/zinc/23/04/06/456230406.db2.gz URXXHQNBGRWJIA-LBPRGKRZSA-N 1 0 347.411 3.277 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000290121710 456245692 /nfs/dbraw/zinc/24/56/92/456245692.db2.gz MCNPRTNJVGAPAE-QGZVFWFLSA-N 1 0 332.419 3.323 20 10 EGCDRO CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(Br)ccc1O ZINC000274755633 456264170 /nfs/dbraw/zinc/26/41/70/456264170.db2.gz ITSWASMENTZEKY-HNNXBMFYSA-N 1 0 339.277 3.457 20 10 EGCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000275043445 456269186 /nfs/dbraw/zinc/26/91/86/456269186.db2.gz IBVZXBRVUBPFOB-UHFFFAOYSA-N 1 0 348.393 3.100 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000275368085 456274376 /nfs/dbraw/zinc/27/43/76/456274376.db2.gz UZLFBXSWQPVPCX-NWDGAFQWSA-N 1 0 338.249 3.399 20 10 EGCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(C)c(C)cc1O ZINC000282279120 456465062 /nfs/dbraw/zinc/46/50/62/456465062.db2.gz URDKOOYDJWLSCU-UHFFFAOYSA-N 1 0 332.469 3.209 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1O ZINC000291016834 456497952 /nfs/dbraw/zinc/49/79/52/456497952.db2.gz BXQPRSFFAKINSL-HNNXBMFYSA-N 1 0 339.439 3.471 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1OC ZINC000362636177 457018134 /nfs/dbraw/zinc/01/81/34/457018134.db2.gz DKWDYMPYTQQHIT-LSDHHAIUSA-N 1 0 335.444 3.048 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000352123485 457339884 /nfs/dbraw/zinc/33/98/84/457339884.db2.gz VFHVWYIHWVQCME-UHFFFAOYSA-N 1 0 327.472 3.223 20 10 EGCDRO CC[NH+](CC)CCSCC(=O)NCc1c(C)c2ccccc2n1C ZINC000352134519 457339972 /nfs/dbraw/zinc/33/99/72/457339972.db2.gz JHWWOGAAHXGYRP-UHFFFAOYSA-N 1 0 347.528 3.178 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CC3([C@H](O)C(C)C)CC3)CC2)cc1 ZINC000360791307 457354257 /nfs/dbraw/zinc/35/42/57/457354257.db2.gz FHYOIAZJADSSAM-LJQANCHMSA-N 1 0 332.488 3.051 20 10 EGCDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000355642104 457397609 /nfs/dbraw/zinc/39/76/09/457397609.db2.gz SVIQQUVQJJLHAG-MRXNPFEDSA-N 1 0 342.487 3.160 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1[O-] ZINC000363862379 457457101 /nfs/dbraw/zinc/45/71/01/457457101.db2.gz YWACRISIESXXDW-IACUBPJLSA-N 1 0 339.277 3.432 20 10 EGCDRO Cc1noc(C2(C)CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000374734463 457696333 /nfs/dbraw/zinc/69/63/33/457696333.db2.gz OBMPHCPWAFHNRT-UHFFFAOYSA-N 1 0 332.423 3.137 20 10 EGCDRO CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccccc3O)CC2)CC1 ZINC000368592255 458047928 /nfs/dbraw/zinc/04/79/28/458047928.db2.gz PYRZTFOFPPBJLZ-UHFFFAOYSA-N 1 0 345.531 3.020 20 10 EGCDRO Cc1ccc(CN2C[C@H]([NH3+])Cc3ccccc32)c(-c2cnn(C)c2)c1 ZINC000415142075 458327228 /nfs/dbraw/zinc/32/72/28/458327228.db2.gz YBWQTXBCPUJNQU-LJQANCHMSA-N 1 0 332.451 3.286 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000373525697 458518920 /nfs/dbraw/zinc/51/89/20/458518920.db2.gz DVZORFAIARSRTI-MRXNPFEDSA-N 1 0 349.837 3.334 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000543652251 459681177 /nfs/dbraw/zinc/68/11/77/459681177.db2.gz NZIIFULNDSQQRX-UHFFFAOYSA-N 1 0 342.487 3.114 20 10 EGCDRO Cc1cc(C(=O)NCC[N@@H+](C)C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000726195200 574544948 /nfs/dbraw/zinc/54/49/48/574544948.db2.gz UQXVNYQGESSAJJ-UHFFFAOYSA-N 1 0 331.435 3.303 20 10 EGCDRO COC(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000726607703 574563594 /nfs/dbraw/zinc/56/35/94/574563594.db2.gz UNTSGARQRPAJRF-SFHVURJKSA-N 1 0 340.423 3.380 20 10 EGCDRO CN1C[C@@H]([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1=O ZINC000726797475 574571980 /nfs/dbraw/zinc/57/19/80/574571980.db2.gz GBOHSXMUYDHVIM-HNNXBMFYSA-N 1 0 332.488 3.308 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000727109395 574648957 /nfs/dbraw/zinc/64/89/57/574648957.db2.gz FXNCYIYCIJUMPN-FQEVSTJZSA-N 1 0 337.467 3.404 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(N2CCOCC2)cc1 ZINC000727469312 574670165 /nfs/dbraw/zinc/67/01/65/574670165.db2.gz WEZWKHJGMVZVKR-OAHLLOKOSA-N 1 0 336.439 3.250 20 10 EGCDRO CCCCCC[N@H+](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000731869853 575213634 /nfs/dbraw/zinc/21/36/34/575213634.db2.gz XEAVYFCIWYIJDT-UHFFFAOYSA-N 1 0 331.504 3.415 20 10 EGCDRO Cc1ccc2nc(CN(C)c3ccc(OCC[NH+](C)C)cc3)cn2c1 ZINC000732410521 575268144 /nfs/dbraw/zinc/26/81/44/575268144.db2.gz CYHOPKMXBOJDFJ-UHFFFAOYSA-N 1 0 338.455 3.220 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c(O)c1 ZINC000734004165 575421252 /nfs/dbraw/zinc/42/12/52/575421252.db2.gz RGPPXLGEUVXIHZ-SFHVURJKSA-N 1 0 337.366 3.066 20 10 EGCDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000734471294 575496715 /nfs/dbraw/zinc/49/67/15/575496715.db2.gz LQMNQVNGOKHVQJ-HXUWFJFHSA-N 1 0 339.483 3.370 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)Nc2ccccn2)cc1F ZINC000740004487 576530491 /nfs/dbraw/zinc/53/04/91/576530491.db2.gz OCOORWZHPBVRPY-UHFFFAOYSA-N 1 0 344.434 3.185 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2CCCCCC2)cc1 ZINC000741676420 576710479 /nfs/dbraw/zinc/71/04/79/576710479.db2.gz KPFYCZAJDJZPBN-UHFFFAOYSA-N 1 0 331.504 3.367 20 10 EGCDRO CC(C)CNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741709509 576712574 /nfs/dbraw/zinc/71/25/74/576712574.db2.gz LTCSFXQTDVUOTN-KRWDZBQOSA-N 1 0 331.504 3.269 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741722792 576713662 /nfs/dbraw/zinc/71/36/62/576713662.db2.gz RVXFWQMPNLJNEP-LSDHHAIUSA-N 1 0 331.485 3.368 20 10 EGCDRO C[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742374698 576775588 /nfs/dbraw/zinc/77/55/88/576775588.db2.gz CXOWXDPJFUUKQF-WBVHZDCISA-N 1 0 346.475 3.157 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000743372991 576807354 /nfs/dbraw/zinc/80/73/54/576807354.db2.gz IIGGALXFZWYIPF-SFHVURJKSA-N 1 0 346.515 3.295 20 10 EGCDRO CC(C)OCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743572044 576812361 /nfs/dbraw/zinc/81/23/61/576812361.db2.gz SSTZGULNYGOWIY-UHFFFAOYSA-N 1 0 335.448 3.490 20 10 EGCDRO CCc1cccc(C[NH2+]CCCn2cc(Br)cn2)c1O ZINC000691484347 1298133362 /nfs/dbraw/zinc/13/33/62/1298133362.db2.gz TUZOCPBISAMSSC-UHFFFAOYSA-N 1 0 338.249 3.094 20 10 EGCDRO OC[C@H]([NH2+]Cc1ccc(Br)cc1O)C1CCCCC1 ZINC000691487596 1298134401 /nfs/dbraw/zinc/13/44/01/1298134401.db2.gz GSYKXQILTUOWBM-AWEZNQCLSA-N 1 0 328.250 3.186 20 10 EGCDRO CC(C)[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CCCO1 ZINC000691678203 1298135875 /nfs/dbraw/zinc/13/58/75/1298135875.db2.gz OLQDVTVMIXGPBF-OAHLLOKOSA-N 1 0 328.250 3.402 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000877571691 1299407676 /nfs/dbraw/zinc/40/76/76/1299407676.db2.gz HTOFTOXYPPGGGN-NXHRZFHOSA-N 1 0 329.444 3.184 20 10 EGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CS1 ZINC000827662808 1292354604 /nfs/dbraw/zinc/35/46/04/1292354604.db2.gz VNTRDCXFQZGNHJ-APWZRJJASA-N 1 0 334.529 3.267 20 10 EGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000827845683 1292386626 /nfs/dbraw/zinc/38/66/26/1292386626.db2.gz ZKGWVUHKUHRABG-UHFFFAOYSA-N 1 0 326.843 3.396 20 10 EGCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1COCCO1 ZINC000828563962 1292474806 /nfs/dbraw/zinc/47/48/06/1292474806.db2.gz KGBCTUOADSAIGC-VQIMIIECSA-N 1 0 327.424 3.371 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](OC(C)C)C3)cc2)CC1 ZINC000828832010 1292504713 /nfs/dbraw/zinc/50/47/13/1292504713.db2.gz DLPSVTLNKZERNL-HXUWFJFHSA-N 1 0 332.488 3.301 20 10 EGCDRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828846297 1292507537 /nfs/dbraw/zinc/50/75/37/1292507537.db2.gz DNUQLZXOULYNIJ-ROUUACIJSA-N 1 0 329.488 3.119 20 10 EGCDRO CCOCCOCC[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829147262 1292547311 /nfs/dbraw/zinc/54/73/11/1292547311.db2.gz SGRUMOKASZHGON-UHFFFAOYSA-N 1 0 334.504 3.470 20 10 EGCDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090087770 1292787499 /nfs/dbraw/zinc/78/74/99/1292787499.db2.gz SOUSHSXYXGENEN-HUUCEWRRSA-N 1 0 338.467 3.110 20 10 EGCDRO CCc1nc(CN2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cs1 ZINC000092504810 1292872751 /nfs/dbraw/zinc/87/27/51/1292872751.db2.gz FLKLBOUTOCIQMC-UHFFFAOYSA-N 1 0 345.512 3.346 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)cc1F ZINC000092660212 1292882936 /nfs/dbraw/zinc/88/29/36/1292882936.db2.gz QDBMTRKPBUIOQJ-OAHLLOKOSA-N 1 0 335.467 3.149 20 10 EGCDRO COC[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093337457 1292916153 /nfs/dbraw/zinc/91/61/53/1292916153.db2.gz LTIMZKFCRCFLPW-NSHDSACASA-N 1 0 344.249 3.022 20 10 EGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000093605243 1292925519 /nfs/dbraw/zinc/92/55/19/1292925519.db2.gz QCQYPAWGPYOPNJ-RBUKOAKNSA-N 1 0 332.488 3.159 20 10 EGCDRO Cc1cc(Cl)cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832267249 1292980018 /nfs/dbraw/zinc/98/00/18/1292980018.db2.gz OUWNZNUCJCRRTC-KRWDZBQOSA-N 1 0 331.847 3.144 20 10 EGCDRO CCc1ccc([C@@H](C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832281514 1292981409 /nfs/dbraw/zinc/98/14/09/1292981409.db2.gz TXGPNLNCIAOUDO-QRWLVFNGSA-N 1 0 339.483 3.235 20 10 EGCDRO CC(C)(C)c1nnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000111232944 1293101698 /nfs/dbraw/zinc/10/16/98/1293101698.db2.gz MKKRNJAUDOTXIS-OAHLLOKOSA-N 1 0 345.443 3.254 20 10 EGCDRO OC[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)C[C@H]1c1ccc(F)cc1 ZINC000834783031 1293147525 /nfs/dbraw/zinc/14/75/25/1293147525.db2.gz ARAVJGFQTQVZLG-ABSDTBQOSA-N 1 0 327.399 3.274 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)CC2 ZINC000834793995 1293149362 /nfs/dbraw/zinc/14/93/62/1293149362.db2.gz LQMYYBGGPGSTQX-ZBFHGGJFSA-N 1 0 348.240 3.465 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(C)cc1O ZINC000834897124 1293168236 /nfs/dbraw/zinc/16/82/36/1293168236.db2.gz PXMZIOHWVRCLPM-ALKREAHSSA-N 1 0 329.444 3.395 20 10 EGCDRO C[C@@H]([NH2+]CCOCC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000834908248 1293173008 /nfs/dbraw/zinc/17/30/08/1293173008.db2.gz CPROKGRHTXOBMM-QGZVFWFLSA-N 1 0 332.488 3.381 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000835062641 1293196558 /nfs/dbraw/zinc/19/65/58/1293196558.db2.gz DYZWWSMIFPGAKC-UHFFFAOYSA-N 1 0 341.293 3.427 20 10 EGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)O1 ZINC000835089213 1293206664 /nfs/dbraw/zinc/20/66/64/1293206664.db2.gz XPTSKYFYTPIXGE-ZBFHGGJFSA-N 1 0 333.432 3.242 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)N3CCC(C)CC3)CC2)cc1 ZINC000119035086 1293251198 /nfs/dbraw/zinc/25/11/98/1293251198.db2.gz XHBPNBGNYQWPDZ-GOSISDBHSA-N 1 0 345.531 3.374 20 10 EGCDRO CN(C)c1ccc(CN(C)CC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000121494168 1293374087 /nfs/dbraw/zinc/37/40/87/1293374087.db2.gz JZRUCODSTBQTKO-UHFFFAOYSA-N 1 0 333.382 3.101 20 10 EGCDRO CCOC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000124538539 1293478291 /nfs/dbraw/zinc/47/82/91/1293478291.db2.gz GVPVGLXSVQOSOJ-UHFFFAOYSA-N 1 0 328.250 3.464 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000125813524 1293517863 /nfs/dbraw/zinc/51/78/63/1293517863.db2.gz FFZPPWUDBFIZBB-GOEBONIOSA-N 1 0 329.410 3.430 20 10 EGCDRO COCc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000126189643 1293527879 /nfs/dbraw/zinc/52/78/79/1293527879.db2.gz RNRBGGRTKMBSMQ-OAHLLOKOSA-N 1 0 330.428 3.113 20 10 EGCDRO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)c(C)n1-c1ccccc1C ZINC000127616589 1293568483 /nfs/dbraw/zinc/56/84/83/1293568483.db2.gz CFFWWEBFIXDSOQ-UHFFFAOYSA-N 1 0 325.456 3.180 20 10 EGCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)C(=O)NCC1CCCCC1 ZINC000129491135 1293625575 /nfs/dbraw/zinc/62/55/75/1293625575.db2.gz RAQOYCQVSMIUOR-UHFFFAOYSA-N 1 0 330.472 3.186 20 10 EGCDRO CCC[N@H+](Cc1cc(=O)n2cccc(C)c2n1)Cc1ccccc1O ZINC000130720227 1293666902 /nfs/dbraw/zinc/66/69/02/1293666902.db2.gz WHIVZKVSCTUMMB-UHFFFAOYSA-N 1 0 337.423 3.121 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132770155 1293728297 /nfs/dbraw/zinc/72/82/97/1293728297.db2.gz AWLRIPLQVLSDQA-INIZCTEOSA-N 1 0 333.476 3.160 20 10 EGCDRO Oc1ccccc1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000134236349 1293767237 /nfs/dbraw/zinc/76/72/37/1293767237.db2.gz YNCIPQYJEIYYCL-UHFFFAOYSA-N 1 0 336.185 3.173 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC2)cc1 ZINC000161974818 1294303602 /nfs/dbraw/zinc/30/36/02/1294303602.db2.gz CLHDOSMQTVBGDL-QRVBRYPASA-N 1 0 330.472 3.067 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3ccco3)CC2)cc1 ZINC000162832000 1294322826 /nfs/dbraw/zinc/32/28/26/1294322826.db2.gz FPIVUEZYZRIASS-QGZVFWFLSA-N 1 0 343.471 3.151 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164273296 1294346232 /nfs/dbraw/zinc/34/62/32/1294346232.db2.gz UZPPGYHCWPTOIN-CQSZACIVSA-N 1 0 348.487 3.176 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164273432 1294346398 /nfs/dbraw/zinc/34/63/98/1294346398.db2.gz UZPPGYHCWPTOIN-AWEZNQCLSA-N 1 0 348.487 3.176 20 10 EGCDRO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)cc1 ZINC000178857061 1294758245 /nfs/dbraw/zinc/75/82/45/1294758245.db2.gz WKLMIBMSQTXGKX-UHFFFAOYSA-N 1 0 338.451 3.275 20 10 EGCDRO CCOc1cccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1O ZINC000179634233 1294809658 /nfs/dbraw/zinc/80/96/58/1294809658.db2.gz ZSLDTRLROKNSCJ-OAHLLOKOSA-N 1 0 329.396 3.063 20 10 EGCDRO CCOc1cccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c1O ZINC000179634250 1294810104 /nfs/dbraw/zinc/81/01/04/1294810104.db2.gz ZSLDTRLROKNSCJ-HNNXBMFYSA-N 1 0 329.396 3.063 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000181404563 1294965242 /nfs/dbraw/zinc/96/52/42/1294965242.db2.gz YGYILSCKLYOYGZ-HXUWFJFHSA-N 1 0 339.483 3.152 20 10 EGCDRO CCN(C(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000182318047 1295035467 /nfs/dbraw/zinc/03/54/67/1295035467.db2.gz HCMCZPCTABPPGL-AWEZNQCLSA-N 1 0 328.412 3.105 20 10 EGCDRO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182414126 1295046131 /nfs/dbraw/zinc/04/61/31/1295046131.db2.gz OQLKBVRNWOFFCT-LLVKDONJSA-N 1 0 333.384 3.194 20 10 EGCDRO C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000183400762 1295116822 /nfs/dbraw/zinc/11/68/22/1295116822.db2.gz IEDLYANWHQUJRM-GOSISDBHSA-N 1 0 339.483 3.255 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccc1O ZINC000183555227 1295130631 /nfs/dbraw/zinc/13/06/31/1295130631.db2.gz WTEZKYZVBCPZBP-SJLPKXTDSA-N 1 0 338.451 3.277 20 10 EGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccccc1O ZINC000183627754 1295135224 /nfs/dbraw/zinc/13/52/24/1295135224.db2.gz YSSNJAQYTIBLFI-HUUCEWRRSA-N 1 0 333.453 3.295 20 10 EGCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000184063568 1295167485 /nfs/dbraw/zinc/16/74/85/1295167485.db2.gz PXJQNSJTMDVWDR-UHFFFAOYSA-N 1 0 346.383 3.343 20 10 EGCDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000186015755 1295298351 /nfs/dbraw/zinc/29/83/51/1295298351.db2.gz RZNURHVRRZIPCU-GFCCVEGCSA-N 1 0 334.366 3.141 20 10 EGCDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000186162844 1295308951 /nfs/dbraw/zinc/30/89/51/1295308951.db2.gz LRJVFYRITAHBEF-UHFFFAOYSA-N 1 0 335.451 3.335 20 10 EGCDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000186753550 1295348330 /nfs/dbraw/zinc/34/83/30/1295348330.db2.gz YXONZQMXTLAXBP-LSDHHAIUSA-N 1 0 333.476 3.270 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)c1 ZINC000187696325 1295410154 /nfs/dbraw/zinc/41/01/54/1295410154.db2.gz IKWKRUXVAKWPOE-HXUWFJFHSA-N 1 0 340.467 3.401 20 10 EGCDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000191637202 1295699592 /nfs/dbraw/zinc/69/95/92/1295699592.db2.gz AGPWVTKSUIJTDO-IBGZPJMESA-N 1 0 331.387 3.142 20 10 EGCDRO O=C(CSc1nccs1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000192901238 1295812228 /nfs/dbraw/zinc/81/22/28/1295812228.db2.gz GPSPYVUGQRFEEA-UHFFFAOYSA-N 1 0 347.509 3.147 20 10 EGCDRO CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000247982231 1296404267 /nfs/dbraw/zinc/40/42/67/1296404267.db2.gz ILYSGYPIDKKIRF-SJLPKXTDSA-N 1 0 349.494 3.187 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000248039115 1296404402 /nfs/dbraw/zinc/40/44/02/1296404402.db2.gz SFNAUALDAJAHET-SUMWQHHRSA-N 1 0 336.863 3.164 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1O ZINC000250098025 1296455220 /nfs/dbraw/zinc/45/52/20/1296455220.db2.gz QYQATGIICBHXJU-HNAYVOBHSA-N 1 0 327.424 3.174 20 10 EGCDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCCN1C(=O)OC(C)(C)C ZINC000301905151 1296795500 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CC[C@@H]([NH2+]Cc1cn(CC)nn1)c1cc(Br)ccc1O ZINC000404442288 1297753416 /nfs/dbraw/zinc/75/34/16/1297753416.db2.gz XXQSVAUPAUXLBD-CYBMUJFWSA-N 1 0 339.237 3.007 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000406041091 1297766127 /nfs/dbraw/zinc/76/61/27/1297766127.db2.gz TZVFLKIKLAGZQK-HXUWFJFHSA-N 1 0 326.440 3.155 20 10 EGCDRO C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000874988852 1298191409 /nfs/dbraw/zinc/19/14/09/1298191409.db2.gz GMAKRHZXSFNDAJ-RHSMWYFYSA-N 1 0 327.428 3.055 20 10 EGCDRO CO[C@@](C)(C[NH2+]Cc1cccc(C)c1O)COCc1ccccc1 ZINC000702844393 1298198179 /nfs/dbraw/zinc/19/81/79/1298198179.db2.gz IPJUUMYQBILQKM-FQEVSTJZSA-N 1 0 329.440 3.412 20 10 EGCDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2c(O)cccc2Br)C1 ZINC000706804768 1298223993 /nfs/dbraw/zinc/22/39/93/1298223993.db2.gz QAJAYWIYPUDQQX-NSHDSACASA-N 1 0 327.266 3.117 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000715095565 1298277633 /nfs/dbraw/zinc/27/76/33/1298277633.db2.gz FXEYYJPDTHPBBQ-CFVMTHIKSA-N 1 0 332.444 3.272 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000715109439 1298278334 /nfs/dbraw/zinc/27/83/34/1298278334.db2.gz LOJOEAIMWIIEDG-SGMGOOAPSA-N 1 0 338.423 3.485 20 10 EGCDRO [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000715778768 1298287399 /nfs/dbraw/zinc/28/73/99/1298287399.db2.gz MIOGRPFBDKOCIU-QWHCGFSZSA-N 1 0 343.240 3.010 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(Br)cc1O)CC1(C)OCCO1 ZINC000716015712 1298292767 /nfs/dbraw/zinc/29/27/67/1298292767.db2.gz UIZWQTGJYYZXTA-NSHDSACASA-N 1 0 344.249 3.034 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000725728372 1298354900 /nfs/dbraw/zinc/35/49/00/1298354900.db2.gz JIORYIMENDVPHR-UHFFFAOYSA-N 1 0 339.483 3.474 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@H](c1ccc(C)o1)N1CCCC1 ZINC000725853765 1298376904 /nfs/dbraw/zinc/37/69/04/1298376904.db2.gz VOUOPYMTUZFCBU-MRXNPFEDSA-N 1 0 330.428 3.229 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](OC)C2CCOCC2)cc1 ZINC000876551804 1298823209 /nfs/dbraw/zinc/82/32/09/1298823209.db2.gz XDFVINOVEHPYKN-HXUWFJFHSA-N 1 0 334.504 3.406 20 10 EGCDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)on1 ZINC000876617075 1298871749 /nfs/dbraw/zinc/87/17/49/1298871749.db2.gz FKZHXMSWDBDZQV-LJQANCHMSA-N 1 0 341.455 3.281 20 10 EGCDRO CC(C)OC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876630573 1298883494 /nfs/dbraw/zinc/88/34/94/1298883494.db2.gz DNFSMEVPFWGZEP-UHFFFAOYSA-N 1 0 332.488 3.037 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C)cc3O)CC2)s1 ZINC000876651855 1298898216 /nfs/dbraw/zinc/89/82/16/1298898216.db2.gz HLNQETCQXCOPSS-UHFFFAOYSA-N 1 0 344.480 3.465 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000876660885 1298906805 /nfs/dbraw/zinc/90/68/05/1298906805.db2.gz BAHQWPLULDEJDS-UHFFFAOYSA-N 1 0 338.451 3.437 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000876736215 1298945806 /nfs/dbraw/zinc/94/58/06/1298945806.db2.gz UKYMWVKWALOHDW-GDBMZVCRSA-N 1 0 334.460 3.436 20 10 EGCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000748269499 1298971701 /nfs/dbraw/zinc/97/17/01/1298971701.db2.gz YRLBFXFBXMJYEQ-KRWDZBQOSA-N 1 0 327.424 3.315 20 10 EGCDRO C[NH+](C)Cc1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876823120 1299014018 /nfs/dbraw/zinc/01/40/18/1299014018.db2.gz ZAZWYPDZVHOBTE-UHFFFAOYSA-N 1 0 339.483 3.321 20 10 EGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCCC1 ZINC000876965221 1299091321 /nfs/dbraw/zinc/09/13/21/1299091321.db2.gz FGTWDSBTFVZJLB-OAQYLSRUSA-N 1 0 346.515 3.190 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000876970297 1299094733 /nfs/dbraw/zinc/09/47/33/1299094733.db2.gz NZMFRPLQAZAKMA-QGZVFWFLSA-N 1 0 340.467 3.211 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c(O)c1 ZINC000876970180 1299095936 /nfs/dbraw/zinc/09/59/36/1299095936.db2.gz KPSFWEFWTRIVJI-LJQANCHMSA-N 1 0 340.423 3.108 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCc4ccccc43)cc2)CC1 ZINC000877039387 1299127138 /nfs/dbraw/zinc/12/71/38/1299127138.db2.gz DLOPDJAZQCXGHC-LJQANCHMSA-N 1 0 336.479 3.467 20 10 EGCDRO COC(=O)c1csc(C[NH2+]CCCSc2nccs2)c1 ZINC000877061314 1299138979 /nfs/dbraw/zinc/13/89/79/1299138979.db2.gz DWPUIKQMTNEWMK-UHFFFAOYSA-N 1 0 328.484 3.263 20 10 EGCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000749588469 1299239856 /nfs/dbraw/zinc/23/98/56/1299239856.db2.gz QLCQCZPHJDAWDH-LJQANCHMSA-N 1 0 329.488 3.168 20 10 EGCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877353244 1299258788 /nfs/dbraw/zinc/25/87/88/1299258788.db2.gz OEZVBWVGWQVTMF-AWEZNQCLSA-N 1 0 330.394 3.468 20 10 EGCDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877468813 1299321540 /nfs/dbraw/zinc/32/15/40/1299321540.db2.gz NLKXBSCWNXTDPT-NRFANRHFSA-N 1 0 346.515 3.021 20 10 EGCDRO COC(=O)CC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750037780 1299326807 /nfs/dbraw/zinc/32/68/07/1299326807.db2.gz BVOQQQIQPCGPOO-UHFFFAOYSA-N 1 0 339.819 3.023 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c(O)c1 ZINC000877503808 1299354033 /nfs/dbraw/zinc/35/40/33/1299354033.db2.gz BHUZDGUYOVISPV-MRXNPFEDSA-N 1 0 336.229 3.286 20 10 EGCDRO Cc1cccc(O)c1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000877505751 1299354389 /nfs/dbraw/zinc/35/43/89/1299354389.db2.gz XYYKAOQKQUZINC-UHFFFAOYSA-N 1 0 334.423 3.446 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3cccnc3)cc2)CC1 ZINC000877524388 1299368310 /nfs/dbraw/zinc/36/83/10/1299368310.db2.gz WJRBFRSDPNUQKA-NRFANRHFSA-N 1 0 337.467 3.380 20 10 EGCDRO Fc1cc(C[NH2+]CC2CCSCC2)cc(F)c1N1CCOCC1 ZINC000877582210 1299411542 /nfs/dbraw/zinc/41/15/42/1299411542.db2.gz NEGAJFQQEOHEIV-UHFFFAOYSA-N 1 0 342.455 3.034 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000877598905 1299423870 /nfs/dbraw/zinc/42/38/70/1299423870.db2.gz WLMPAZYYNOVLMI-QWHCGFSZSA-N 1 0 329.271 3.305 20 10 EGCDRO Cc1cc(C(=O)NCC2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000750785272 1299454272 /nfs/dbraw/zinc/45/42/72/1299454272.db2.gz ONCGAWAUYAGINT-UHFFFAOYSA-N 1 0 339.483 3.474 20 10 EGCDRO CC(C)(O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000877754975 1299531088 /nfs/dbraw/zinc/53/10/88/1299531088.db2.gz ZJQJIFPNBLIXGV-UHFFFAOYSA-N 1 0 328.250 3.138 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@@](F)(C(=O)OC)C2)c(O)c(C(C)(C)C)c1 ZINC000751940515 1299659532 /nfs/dbraw/zinc/65/95/32/1299659532.db2.gz VEAJCQMQBAYDFT-IBGZPJMESA-N 1 0 337.435 3.339 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCO1 ZINC000753660659 1300002268 /nfs/dbraw/zinc/00/22/68/1300002268.db2.gz AMQVKDRFWUADDN-FDQGKXFDSA-N 1 0 338.879 3.167 20 10 EGCDRO CCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1O ZINC000878565887 1300082325 /nfs/dbraw/zinc/08/23/25/1300082325.db2.gz VKBCGPSXMCISLV-UHFFFAOYSA-N 1 0 332.404 3.108 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000754729529 1300202078 /nfs/dbraw/zinc/20/20/78/1300202078.db2.gz AHHXQAPFTXZICN-UHFFFAOYSA-N 1 0 334.460 3.309 20 10 EGCDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000755787843 1300396753 /nfs/dbraw/zinc/39/67/53/1300396753.db2.gz CKSFPHGPEIRYHO-ZDUSSCGKSA-N 1 0 329.444 3.118 20 10 EGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCO1 ZINC000756133764 1300443406 /nfs/dbraw/zinc/44/34/06/1300443406.db2.gz FMKYHCGFSDOQQR-SFHVURJKSA-N 1 0 333.432 3.244 20 10 EGCDRO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756365721 1300477027 /nfs/dbraw/zinc/47/70/27/1300477027.db2.gz CKTFFZUYTLJVDM-BRWVUGGUSA-N 1 0 346.515 3.421 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000756433363 1300489788 /nfs/dbraw/zinc/48/97/88/1300489788.db2.gz YILHGEPCQUNIAY-CVEARBPZSA-N 1 0 348.487 3.484 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N(C)c2ccccc2)c1 ZINC000756455437 1300495953 /nfs/dbraw/zinc/49/59/53/1300495953.db2.gz LFYXRZGDROICMG-AWEZNQCLSA-N 1 0 328.412 3.105 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c2c1c(F)ccc2O ZINC000756584522 1300527276 /nfs/dbraw/zinc/52/72/76/1300527276.db2.gz VAWJFJOPZLYBTI-COMQUAJESA-N 1 0 334.435 3.316 20 10 EGCDRO C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cc(Cl)ccc1O ZINC000756650339 1300541334 /nfs/dbraw/zinc/54/13/34/1300541334.db2.gz XDFCLROCZOZGFU-SNVBAGLBSA-N 1 0 326.824 3.316 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc2c(cc1O)CCCC2 ZINC000756661297 1300543237 /nfs/dbraw/zinc/54/32/37/1300543237.db2.gz QMSCMMDGBNFYHR-GJZGRUSLSA-N 1 0 329.440 3.366 20 10 EGCDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879649177 1300649585 /nfs/dbraw/zinc/64/95/85/1300649585.db2.gz KVZZSKWQHDYFQR-ZIAGYGMSSA-N 1 0 335.831 3.445 20 10 EGCDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c(OC)c1 ZINC000879649038 1300649701 /nfs/dbraw/zinc/64/97/01/1300649701.db2.gz JYYAEVHXDVMKTG-CHWSQXEVSA-N 1 0 344.411 3.087 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N(C)Cc1cccc(F)c1 ZINC000879649368 1300649994 /nfs/dbraw/zinc/64/99/94/1300649994.db2.gz RHKPJCWXLYBIQZ-ZIAGYGMSSA-N 1 0 330.403 3.229 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000757662172 1300705719 /nfs/dbraw/zinc/70/57/19/1300705719.db2.gz STRJJDRBENBADU-HNNXBMFYSA-N 1 0 337.467 3.279 20 10 EGCDRO COc1cccc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c1O ZINC000759283221 1301059093 /nfs/dbraw/zinc/05/90/93/1301059093.db2.gz UJCZIFPAGKRLED-UHFFFAOYSA-N 1 0 341.436 3.252 20 10 EGCDRO CC(C)=C(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761982851 1301582541 /nfs/dbraw/zinc/58/25/41/1301582541.db2.gz UZIWUHKDZMONQI-MRXNPFEDSA-N 1 0 336.863 3.483 20 10 EGCDRO C/C=C/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761983036 1301582852 /nfs/dbraw/zinc/58/28/52/1301582852.db2.gz QEZHAFYTBWBFKV-NUJVXMLLSA-N 1 0 334.847 3.259 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000763954024 1301988716 /nfs/dbraw/zinc/98/87/16/1301988716.db2.gz LQLUZPVGFLIOJA-IBGZPJMESA-N 1 0 325.456 3.062 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(N(C)C)cc1 ZINC000764807268 1302139152 /nfs/dbraw/zinc/13/91/52/1302139152.db2.gz DDSVTHYZFHSONI-UYAOXDASSA-N 1 0 328.456 3.233 20 10 EGCDRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883072844 1302230430 /nfs/dbraw/zinc/23/04/30/1302230430.db2.gz AIQXQDNLGLHKCD-ZDUSSCGKSA-N 1 0 347.409 3.381 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000765287303 1302237873 /nfs/dbraw/zinc/23/78/73/1302237873.db2.gz UDCJOJYPAYTKRN-INIZCTEOSA-N 1 0 348.240 3.207 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCOCC1 ZINC000765297869 1302242247 /nfs/dbraw/zinc/24/22/47/1302242247.db2.gz RWFBWDGCSQYJDC-OAQYLSRUSA-N 1 0 346.515 3.190 20 10 EGCDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000765406603 1302261362 /nfs/dbraw/zinc/26/13/62/1302261362.db2.gz WCVCJRVEELJNLJ-AWEZNQCLSA-N 1 0 345.874 3.487 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000765501860 1302274097 /nfs/dbraw/zinc/27/40/97/1302274097.db2.gz FFBHGKYGZMIKNB-ZFWWWQNUSA-N 1 0 329.410 3.430 20 10 EGCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765631905 1302292675 /nfs/dbraw/zinc/29/26/75/1302292675.db2.gz TZMAHWDCUZJWGK-UONOGXRCSA-N 1 0 326.868 3.252 20 10 EGCDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765960212 1302357559 /nfs/dbraw/zinc/35/75/59/1302357559.db2.gz WBMQLPURYNWEGB-KDOFPFPSSA-N 1 0 338.879 3.254 20 10 EGCDRO C[C@H]([NH2+]CCNc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766517056 1302466350 /nfs/dbraw/zinc/46/63/50/1302466350.db2.gz ZVLFIKXONXDWMA-INIZCTEOSA-N 1 0 343.446 3.425 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000766604529 1302486066 /nfs/dbraw/zinc/48/60/66/1302486066.db2.gz KFJPCJQHKUHJJQ-FFZOFVMBSA-N 1 0 331.504 3.047 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000766605415 1302486274 /nfs/dbraw/zinc/48/62/74/1302486274.db2.gz LZWZUTDEHOLZNU-PWRODBHTSA-N 1 0 345.531 3.437 20 10 EGCDRO CCOc1ccc(C[N@H+](CC)C[C@H]2COc3ccccc3O2)c(O)c1 ZINC000768178230 1302843783 /nfs/dbraw/zinc/84/37/83/1302843783.db2.gz FZYNBNYDGSVUNS-KRWDZBQOSA-N 1 0 343.423 3.453 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3ccccc3C)CC2)c1O ZINC000768193221 1302850639 /nfs/dbraw/zinc/85/06/39/1302850639.db2.gz WOXRFFVQBVOREK-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO CC(C)OC(=O)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000884475158 1302872587 /nfs/dbraw/zinc/87/25/87/1302872587.db2.gz AGVRKGHAWGCPEE-UHFFFAOYSA-N 1 0 328.412 3.104 20 10 EGCDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440804 1302904407 /nfs/dbraw/zinc/90/44/07/1302904407.db2.gz DZISTFYZRODGCH-MRXNPFEDSA-N 1 0 349.814 3.112 20 10 EGCDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768452845 1302908556 /nfs/dbraw/zinc/90/85/56/1302908556.db2.gz TWEUKYMBDTVEGW-WMZOPIPTSA-N 1 0 341.407 3.164 20 10 EGCDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768462992 1302910632 /nfs/dbraw/zinc/91/06/32/1302910632.db2.gz PUPHLGPSQBWNLC-QZTJIDSGSA-N 1 0 337.460 3.435 20 10 EGCDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768518832 1302922430 /nfs/dbraw/zinc/92/24/30/1302922430.db2.gz JBOQFRAIFMURME-DOTOQJQBSA-N 1 0 347.459 3.178 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769008397 1303030566 /nfs/dbraw/zinc/03/05/66/1303030566.db2.gz XKRRITPFRMCLCE-FUHWJXTLSA-N 1 0 331.504 3.269 20 10 EGCDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000769447502 1303114556 /nfs/dbraw/zinc/11/45/56/1303114556.db2.gz VXQMSUMSMWNAEU-UHFFFAOYSA-N 1 0 344.842 3.065 20 10 EGCDRO Fc1cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)ccc1N1CCOCC1 ZINC000769506242 1303130977 /nfs/dbraw/zinc/13/09/77/1303130977.db2.gz PIOWRHAQEYLWSJ-LJQANCHMSA-N 1 0 340.442 3.479 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769710785 1303163103 /nfs/dbraw/zinc/16/31/03/1303163103.db2.gz PIFOMEHGLLURDX-GOEBONIOSA-N 1 0 333.432 3.242 20 10 EGCDRO Cc1cccc(C2=CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1 ZINC000770661443 1303301383 /nfs/dbraw/zinc/30/13/83/1303301383.db2.gz RZTOCUMQUOWGBQ-HXUWFJFHSA-N 1 0 337.419 3.416 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c1O ZINC000770745938 1303312894 /nfs/dbraw/zinc/31/28/94/1303312894.db2.gz JYJVJDSRNBJNKS-QWRGUYRKSA-N 1 0 344.249 3.068 20 10 EGCDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886325022 1303433759 /nfs/dbraw/zinc/43/37/59/1303433759.db2.gz QLVHYDAZWAQQAZ-LPHOPBHVSA-N 1 0 343.515 3.447 20 10 EGCDRO CC[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000886669925 1303548912 /nfs/dbraw/zinc/54/89/12/1303548912.db2.gz GVQHDACGQAMTBG-GUTXKFCHSA-N 1 0 347.377 3.382 20 10 EGCDRO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773212211 1303644494 /nfs/dbraw/zinc/64/44/94/1303644494.db2.gz OPALHKQKMLTOFX-MRXNPFEDSA-N 1 0 346.519 3.233 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000773328091 1303662880 /nfs/dbraw/zinc/66/28/80/1303662880.db2.gz RTLQPEGQGKYGQC-UHFFFAOYSA-N 1 0 344.499 3.442 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(Oc3ccncc3C)CC2)c1O ZINC000773340894 1303664646 /nfs/dbraw/zinc/66/46/46/1303664646.db2.gz SZIYOFYGGHAFGU-UHFFFAOYSA-N 1 0 342.439 3.456 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000773694026 1303725274 /nfs/dbraw/zinc/72/52/74/1303725274.db2.gz JHOLVUXXZFSMGG-HUUCEWRRSA-N 1 0 335.419 3.373 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)cc1 ZINC000773758775 1303736386 /nfs/dbraw/zinc/73/63/86/1303736386.db2.gz YQARJIIWZTWZDV-FQEVSTJZSA-N 1 0 328.456 3.317 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 ZINC000774480765 1303814741 /nfs/dbraw/zinc/81/47/41/1303814741.db2.gz DIHIEGRIGCZTEX-DLBZAZTESA-N 1 0 339.483 3.450 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000774844164 1303866127 /nfs/dbraw/zinc/86/61/27/1303866127.db2.gz TXWIUQYCRPALBM-HXUWFJFHSA-N 1 0 339.483 3.452 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000775364277 1303947543 /nfs/dbraw/zinc/94/75/43/1303947543.db2.gz QNCJTEVKKMAJTL-CYBMUJFWSA-N 1 0 340.423 3.179 20 10 EGCDRO CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000775367920 1303947730 /nfs/dbraw/zinc/94/77/30/1303947730.db2.gz XZEUTVMPDHMSPQ-UHFFFAOYSA-N 1 0 335.448 3.435 20 10 EGCDRO CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000775403967 1303958515 /nfs/dbraw/zinc/95/85/15/1303958515.db2.gz LKFZWKVUHLTMHP-APWZRJJASA-N 1 0 331.504 3.440 20 10 EGCDRO CC[C@@H]([NH2+][C@H](CCO)C1CC1)c1cc(Br)ccc1O ZINC000775525195 1303979362 /nfs/dbraw/zinc/97/93/62/1303979362.db2.gz DSLPVIAULIGFKC-ZIAGYGMSSA-N 1 0 328.250 3.356 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Br)ccc1O ZINC000775525190 1303979992 /nfs/dbraw/zinc/97/99/92/1303979992.db2.gz DSLPVIAULIGFKC-KGLIPLIRSA-N 1 0 328.250 3.356 20 10 EGCDRO CCN1C[C@H](C[N@H+](C)Cc2cccc(C)c2O)Oc2ccccc21 ZINC000775645864 1304001901 /nfs/dbraw/zinc/00/19/01/1304001901.db2.gz AKURTSNUOUVABK-KRWDZBQOSA-N 1 0 326.440 3.420 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCOc3ccccc3[C@H]2C)cc1OC ZINC000775657476 1304006890 /nfs/dbraw/zinc/00/68/90/1304006890.db2.gz BJYWYPSGBZDWQC-CYBMUJFWSA-N 1 0 329.396 3.365 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000775727661 1304023303 /nfs/dbraw/zinc/02/33/03/1304023303.db2.gz WSKBBALPXJFBQG-KRWDZBQOSA-N 1 0 340.467 3.497 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775831791 1304045725 /nfs/dbraw/zinc/04/57/25/1304045725.db2.gz USOVBHYLHXRHNL-KRWDZBQOSA-N 1 0 339.483 3.152 20 10 EGCDRO COC(=O)c1cccc(OCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833840 1304047095 /nfs/dbraw/zinc/04/70/95/1304047095.db2.gz NBRSQONFPPNQTP-HNNXBMFYSA-N 1 0 342.439 3.269 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000775885893 1304055499 /nfs/dbraw/zinc/05/54/99/1304055499.db2.gz FIEQMBKLBIKECO-UHFFFAOYSA-N 1 0 329.469 3.147 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000776221337 1304116513 /nfs/dbraw/zinc/11/65/13/1304116513.db2.gz VADBVZAOSBFYRJ-BMLIUANNSA-N 1 0 339.794 3.405 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCOCC2)ccc1N1CCCCC1 ZINC000776498265 1304166440 /nfs/dbraw/zinc/16/64/40/1304166440.db2.gz QZPDCWGRZIIVPU-MRXNPFEDSA-N 1 0 333.432 3.244 20 10 EGCDRO C[C@H]([NH2+]CCCn1cncn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000776973523 1304225733 /nfs/dbraw/zinc/22/57/33/1304225733.db2.gz GLJCWBWVNJODBV-HNNXBMFYSA-N 1 0 331.439 3.148 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)N(C)C)c1O ZINC000779004271 1304517278 /nfs/dbraw/zinc/51/72/78/1304517278.db2.gz CNFXHERBSSUTPQ-LLVKDONJSA-N 1 0 329.282 3.454 20 10 EGCDRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000779015543 1304518037 /nfs/dbraw/zinc/51/80/37/1304518037.db2.gz OMXWSHJOGZNTGR-UHFFFAOYSA-N 1 0 337.366 3.198 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Br)ccc1O ZINC000779061225 1304524106 /nfs/dbraw/zinc/52/41/06/1304524106.db2.gz KEPKVWBKHVZPPI-JQWIXIFHSA-N 1 0 336.233 3.017 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1O ZINC000779152570 1304534961 /nfs/dbraw/zinc/53/49/61/1304534961.db2.gz CDBJHYSLBCUCJK-IUODEOHRSA-N 1 0 342.277 3.446 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1O ZINC000779152569 1304535793 /nfs/dbraw/zinc/53/57/93/1304535793.db2.gz CDBJHYSLBCUCJK-DOMZBBRYSA-N 1 0 342.277 3.446 20 10 EGCDRO CC(C)CN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000889669358 1304556170 /nfs/dbraw/zinc/55/61/70/1304556170.db2.gz HKAFUMGNCFAFRG-UHFFFAOYSA-N 1 0 346.519 3.014 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1O ZINC000779432305 1304571344 /nfs/dbraw/zinc/57/13/44/1304571344.db2.gz QYMNXRHCGPPXBI-UHFFFAOYSA-N 1 0 348.487 3.260 20 10 EGCDRO Cc1cc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000780512519 1304703511 /nfs/dbraw/zinc/70/35/11/1304703511.db2.gz SPVJLPJQSYQVAT-INIZCTEOSA-N 1 0 348.531 3.275 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(C(=O)OC)[nH]2)cc1 ZINC000781894442 1304887349 /nfs/dbraw/zinc/88/73/49/1304887349.db2.gz IDQFFDVUBYGSGL-UHFFFAOYSA-N 1 0 329.444 3.280 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC3(CCCC3)C2)cc1 ZINC000782636794 1304996482 /nfs/dbraw/zinc/99/64/82/1304996482.db2.gz LKASPCNSQMUPBH-UHFFFAOYSA-N 1 0 329.488 3.025 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)CC2CCSCC2)[NH+](C)C)cc1 ZINC000891253048 1305000533 /nfs/dbraw/zinc/00/05/33/1305000533.db2.gz PRDXNAFSNDPRQS-GOSISDBHSA-N 1 0 349.544 3.005 20 10 EGCDRO Cc1ccc([C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891250490 1305000925 /nfs/dbraw/zinc/00/09/25/1305000925.db2.gz AHEACNULCDCKLE-QAPCUYQASA-N 1 0 343.471 3.177 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(Cl)ccc3O)CC2)n[nH]1 ZINC000784057278 1305183618 /nfs/dbraw/zinc/18/36/18/1305183618.db2.gz YQLZWCMTSPBOFM-LBPRGKRZSA-N 1 0 334.851 3.397 20 10 EGCDRO COc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)c(O)c1OC ZINC000891864458 1305191558 /nfs/dbraw/zinc/19/15/58/1305191558.db2.gz PZQVGQKQVOMYGU-UHFFFAOYSA-N 1 0 335.444 3.333 20 10 EGCDRO CC(C)[C@H](F)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000784442010 1305245087 /nfs/dbraw/zinc/24/50/87/1305245087.db2.gz KOKJKSSPRLGQKX-HOCLYGCPSA-N 1 0 342.842 3.120 20 10 EGCDRO CC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000785426016 1305350174 /nfs/dbraw/zinc/35/01/74/1305350174.db2.gz KEHFSOOBLXVMTL-UHFFFAOYSA-N 1 0 328.378 3.432 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C2CCCCC2)N(C)C)c(O)c1OC ZINC000892597228 1305460633 /nfs/dbraw/zinc/46/06/33/1305460633.db2.gz QJXKYVMQYHXLJG-MRXNPFEDSA-N 1 0 336.476 3.010 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)COc2cccc(F)c2)c(O)c1OC ZINC000892657101 1305490422 /nfs/dbraw/zinc/49/04/22/1305490422.db2.gz IBPPVXVMOPZZAY-GFCCVEGCSA-N 1 0 335.375 3.106 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)COc2ccc(C)cc2)c(O)c1OC ZINC000892730291 1305526579 /nfs/dbraw/zinc/52/65/79/1305526579.db2.gz GYGCJWXVPZLGJF-AWEZNQCLSA-N 1 0 331.412 3.275 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(N2CCNC2=O)cc1 ZINC000786821994 1305636372 /nfs/dbraw/zinc/63/63/72/1305636372.db2.gz RPZDJDRSQGUAGM-CQSZACIVSA-N 1 0 337.423 3.002 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccc(C)cc2)c(O)c1OC ZINC000893087428 1305698973 /nfs/dbraw/zinc/69/89/73/1305698973.db2.gz VOMVGSCBAZYHLP-CQSZACIVSA-N 1 0 331.412 3.275 20 10 EGCDRO CCCSC[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000893330203 1305833097 /nfs/dbraw/zinc/83/30/97/1305833097.db2.gz WZBUZNYLKQSZBW-NVXWUHKLSA-N 1 0 349.544 3.010 20 10 EGCDRO Cc1cc(C(=O)OCCC[NH+]2CCCC2)c(C)n1-c1ccccn1 ZINC000787987682 1305839328 /nfs/dbraw/zinc/83/93/28/1305839328.db2.gz JTDODAHSKMTDPD-UHFFFAOYSA-N 1 0 327.428 3.132 20 10 EGCDRO CC[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000788442701 1305942368 /nfs/dbraw/zinc/94/23/68/1305942368.db2.gz IEHVNUMDMFKZSD-UHFFFAOYSA-N 1 0 335.492 3.489 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000788754880 1306010533 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CC(C)[N@H+](CCC(=O)Nc1cccnc1)Cc1ccc(N(C)C)cc1 ZINC000790123135 1306264185 /nfs/dbraw/zinc/26/41/85/1306264185.db2.gz HZPPSDLWAYFOHR-UHFFFAOYSA-N 1 0 340.471 3.387 20 10 EGCDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894194749 1306270027 /nfs/dbraw/zinc/27/00/27/1306270027.db2.gz DANSONZASTYDJJ-UHFFFAOYSA-N 1 0 348.487 3.226 20 10 EGCDRO COCCOc1ccccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894200238 1306272827 /nfs/dbraw/zinc/27/28/27/1306272827.db2.gz YIIMFUMAJMHQGQ-UHFFFAOYSA-N 1 0 331.412 3.024 20 10 EGCDRO Cc1ncoc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000894216241 1306283333 /nfs/dbraw/zinc/28/33/33/1306283333.db2.gz LKPUQKZCORILKY-UHFFFAOYSA-N 1 0 337.370 3.343 20 10 EGCDRO C[C@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000894285753 1306322151 /nfs/dbraw/zinc/32/21/51/1306322151.db2.gz LKUWXDWZIYJLAP-HNNXBMFYSA-N 1 0 344.503 3.130 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(F)c(F)c1 ZINC000894373562 1306364324 /nfs/dbraw/zinc/36/43/24/1306364324.db2.gz VJSYLISHUTZXJP-MRXNPFEDSA-N 1 0 337.366 3.465 20 10 EGCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000790934269 1308890271 /nfs/dbraw/zinc/89/02/71/1308890271.db2.gz JFMBUTWNENMUGI-FZMZJTMJSA-N 1 0 328.250 3.280 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000790995959 1308906833 /nfs/dbraw/zinc/90/68/33/1308906833.db2.gz SWBKBDOKDKNELF-HXUWFJFHSA-N 1 0 344.499 3.495 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NCc3cc(F)cc(F)c3O)c2)CC1 ZINC000894483501 1308916220 /nfs/dbraw/zinc/91/62/20/1308916220.db2.gz NJHXUZPGLCKWDW-UHFFFAOYSA-N 1 0 347.409 3.424 20 10 EGCDRO Cc1nnc([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)[nH]1 ZINC000895007651 1309155116 /nfs/dbraw/zinc/15/51/16/1309155116.db2.gz LHGZOTOORIDFNM-QGZVFWFLSA-N 1 0 334.423 3.475 20 10 EGCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(Cl)cc1-n1cncn1 ZINC000792789313 1309231759 /nfs/dbraw/zinc/23/17/59/1309231759.db2.gz XZMOQXAHIJFHGF-UHFFFAOYSA-N 1 0 328.803 3.258 20 10 EGCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792911734 1309256630 /nfs/dbraw/zinc/25/66/30/1309256630.db2.gz AIYIFULLXRFWSD-LBPRGKRZSA-N 1 0 326.366 3.146 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)c(O)c1 ZINC000793387314 1309361787 /nfs/dbraw/zinc/36/17/87/1309361787.db2.gz CWVNYEMOPSGKNI-GFCCVEGCSA-N 1 0 329.396 3.023 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793607455 1309415826 /nfs/dbraw/zinc/41/58/26/1309415826.db2.gz DSGMFOQHQLCHNU-HNAYVOBHSA-N 1 0 339.435 3.132 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000793608062 1309416000 /nfs/dbraw/zinc/41/60/00/1309416000.db2.gz GYTIIWFRUPRELK-CXAGYDPISA-N 1 0 331.387 3.041 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896984856 1310120294 /nfs/dbraw/zinc/12/02/94/1310120294.db2.gz OGWMNJJGERGMNB-OAHLLOKOSA-N 1 0 334.460 3.437 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000797042382 1310131704 /nfs/dbraw/zinc/13/17/04/1310131704.db2.gz IAIGQEXBYCEJSZ-SJLPKXTDSA-N 1 0 344.503 3.083 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c1O ZINC000799738187 1310609166 /nfs/dbraw/zinc/60/91/66/1310609166.db2.gz SZWYSXGQGIZUEJ-ZWNOBZJWSA-N 1 0 344.249 3.163 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(CCO)cc2)cc1F ZINC000898172668 1310612112 /nfs/dbraw/zinc/61/21/12/1310612112.db2.gz UPSFLKQHJJKFLG-UHFFFAOYSA-N 1 0 330.447 3.497 20 10 EGCDRO CCc1onc(C)c1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447191 1310739410 /nfs/dbraw/zinc/73/94/10/1310739410.db2.gz GPRBBCYPTBZWMM-GOSISDBHSA-N 1 0 330.476 3.004 20 10 EGCDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000800473729 1310765637 /nfs/dbraw/zinc/76/56/37/1310765637.db2.gz BIJJIFVKOBWBAJ-IMFGXOCKSA-N 1 0 332.488 3.379 20 10 EGCDRO COc1cccc(O)c1C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000824501474 1320262524 /nfs/dbraw/zinc/26/25/24/1320262524.db2.gz LVIUJDIBJTWBPL-CYBMUJFWSA-N 1 0 338.448 3.184 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)NCc2ccccc2)cc1Cl ZINC000825130556 1320313486 /nfs/dbraw/zinc/31/34/86/1320313486.db2.gz CUDGRLWYPSYYRA-CYBMUJFWSA-N 1 0 332.831 3.149 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1Cl ZINC000825731687 1320358759 /nfs/dbraw/zinc/35/87/59/1320358759.db2.gz KGMBLNMTNJTABL-ZDUSSCGKSA-N 1 0 325.836 3.124 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000825737292 1320359610 /nfs/dbraw/zinc/35/96/10/1320359610.db2.gz XZUSGBZZCHKPTM-KSSFIOAISA-N 1 0 346.471 3.375 20 10 EGCDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000826017844 1320379067 /nfs/dbraw/zinc/37/90/67/1320379067.db2.gz WPXPTFSYJAFDDL-HNNXBMFYSA-N 1 0 328.250 3.186 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1Cl ZINC000826016487 1320378541 /nfs/dbraw/zinc/37/85/41/1320378541.db2.gz KCKZDHZJEGCYLY-QGZVFWFLSA-N 1 0 339.863 3.011 20 10 EGCDRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2O)cc(Cl)c1O ZINC000839066789 1320861841 /nfs/dbraw/zinc/86/18/41/1320861841.db2.gz GPBXFTBDDLCLOT-UHFFFAOYSA-N 1 0 337.803 3.448 20 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/nfs/dbraw/zinc/48/44/18/1317484418.db2.gz WHYJYKNVVXSEPM-WKILWMFISA-N 1 0 330.453 3.116 20 10 EGCDRO CSCC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)C(=O)N(C)C ZINC000806662708 1317517242 /nfs/dbraw/zinc/51/72/42/1317517242.db2.gz OTWJPJDYCITJBI-DYVFJYSZSA-N 1 0 346.496 3.406 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1cc(Br)ccc1O ZINC000902439678 1317579175 /nfs/dbraw/zinc/57/91/75/1317579175.db2.gz UHQRMSYORUPKDI-IGGJQXEISA-N 1 0 347.256 3.430 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)C2)cc1C ZINC001020321935 1317642887 /nfs/dbraw/zinc/64/28/87/1317642887.db2.gz VNDRETAXXFZNOQ-VPAKFMSCSA-N 1 0 342.483 3.177 20 10 EGCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000808437271 1317677476 /nfs/dbraw/zinc/67/74/76/1317677476.db2.gz KLQMNZBWUDANFR-KRWDZBQOSA-N 1 0 344.480 3.017 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1 ZINC000808454844 1317679768 /nfs/dbraw/zinc/67/97/68/1317679768.db2.gz UCOGDADMZLWCTD-AZUAARDMSA-N 1 0 326.440 3.117 20 10 EGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448023 1317701019 /nfs/dbraw/zinc/70/10/19/1317701019.db2.gz HZPQAHCMLXDKAI-PWIZWCRZSA-N 1 0 333.520 3.150 20 10 EGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1O ZINC000903448314 1317702410 /nfs/dbraw/zinc/70/24/10/1317702410.db2.gz MYDDFCGPHTXZHO-HNAYVOBHSA-N 1 0 327.472 3.412 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000808706919 1317719557 /nfs/dbraw/zinc/71/95/57/1317719557.db2.gz BEUIQQHKTPEVPW-UBHSHLNASA-N 1 0 345.892 3.360 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c1O ZINC000808717136 1317722522 /nfs/dbraw/zinc/72/25/22/1317722522.db2.gz ABXFDWRGMMYNMQ-GFCCVEGCSA-N 1 0 345.892 3.362 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(N(C)C)cc3)[C@@H]2C1 ZINC000808722409 1317723307 /nfs/dbraw/zinc/72/33/07/1317723307.db2.gz BUXFRMOPJFGEAL-OBZTVWKBSA-N 1 0 329.488 3.050 20 10 EGCDRO Cn1cnc2cc(C[NH2+]Cc3cc(Br)ccc3O)ccc21 ZINC000809713093 1317873497 /nfs/dbraw/zinc/87/34/97/1317873497.db2.gz IBHGGICCQXBKIG-UHFFFAOYSA-N 1 0 346.228 3.331 20 10 EGCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000809724969 1317879487 /nfs/dbraw/zinc/87/94/87/1317879487.db2.gz GUPQOYJHASZEMY-QGZVFWFLSA-N 1 0 334.460 3.500 20 10 EGCDRO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C[C@H](O)C1CC1 ZINC000809750923 1317889832 /nfs/dbraw/zinc/88/98/32/1317889832.db2.gz BTURBPFRGZFNGT-QFIPXVFZSA-N 1 0 336.479 3.452 20 10 EGCDRO COc1cccc(O)c1C[N@H+](CCc1ccccn1)Cc1ccncc1 ZINC000809762256 1317893464 /nfs/dbraw/zinc/89/34/64/1317893464.db2.gz JEFJQVJORWLONA-UHFFFAOYSA-N 1 0 349.434 3.436 20 10 EGCDRO CCC[N@H+](CCC[NH+](C)C)Cc1cccc(Br)c1[O-] ZINC000809756991 1317894144 /nfs/dbraw/zinc/89/41/44/1317894144.db2.gz QQBURARQPMPBDE-UHFFFAOYSA-N 1 0 329.282 3.318 20 10 EGCDRO CN(CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-])CC[NH+](C)C ZINC000809787722 1317901180 /nfs/dbraw/zinc/90/11/80/1317901180.db2.gz IAIFTWPAGNFTQG-UHFFFAOYSA-N 1 0 348.318 3.014 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@@]3(C)C(C)C)C2)cc1C ZINC001020858521 1317965371 /nfs/dbraw/zinc/96/53/71/1317965371.db2.gz SGDONWRZONNXOH-IKVWTGGYSA-N 1 0 344.499 3.423 20 10 EGCDRO CC[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810208532 1317976069 /nfs/dbraw/zinc/97/60/69/1317976069.db2.gz WLJSFTCDMSUCHT-OAHLLOKOSA-N 1 0 346.393 3.174 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)C2CCCC2)c1O ZINC000811518696 1318193750 /nfs/dbraw/zinc/19/37/50/1318193750.db2.gz OVYQHNDRMUICHK-AWEZNQCLSA-N 1 0 328.250 3.104 20 10 EGCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000811964030 1318298013 /nfs/dbraw/zinc/29/80/13/1318298013.db2.gz AKRUDTWQSWBGEY-OAHLLOKOSA-N 1 0 342.487 3.339 20 10 EGCDRO CCc1cc(C[N@@H+]2CCOC[C@@H]2CCOC)c(O)c(C(C)(C)C)c1 ZINC000812299448 1318359392 /nfs/dbraw/zinc/35/93/92/1318359392.db2.gz KJSYGWXTSTYMTC-KRWDZBQOSA-N 1 0 335.488 3.489 20 10 EGCDRO CO[C@@](C)(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000812773302 1318450841 /nfs/dbraw/zinc/45/08/41/1318450841.db2.gz SVDXGKGRZYJMQD-IBGZPJMESA-N 1 0 347.459 3.490 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)c(C)c2)c1 ZINC000813330659 1318535233 /nfs/dbraw/zinc/53/52/33/1318535233.db2.gz CCUCQISFCICYMK-CQSZACIVSA-N 1 0 338.411 3.141 20 10 EGCDRO CN1C[C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)[C@@H]2C1 ZINC000814173931 1318690034 /nfs/dbraw/zinc/69/00/34/1318690034.db2.gz TUHOHLOSZNJVJW-FXAWDEMLSA-N 1 0 338.451 3.107 20 10 EGCDRO O=C(NCc1ccc(O)cc1O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000910946203 1318697872 /nfs/dbraw/zinc/69/78/72/1318697872.db2.gz KPPPJWYBTFQQOT-UHFFFAOYSA-N 1 0 340.423 3.014 20 10 EGCDRO CSCC[C@H]([NH3+])CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000911633707 1318754595 /nfs/dbraw/zinc/75/45/95/1318754595.db2.gz UWNDOGQIIJHKEA-KRWDZBQOSA-N 1 0 349.544 3.106 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C)cs3)C2)cc1C ZINC001022052736 1318781336 /nfs/dbraw/zinc/78/13/36/1318781336.db2.gz ZUWBCUOPITVIAX-IYBDPMFKSA-N 1 0 344.480 3.424 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c(O)c1C ZINC000858535702 1328790504 /nfs/dbraw/zinc/79/05/04/1328790504.db2.gz AFZAGFWXUHOMGT-CRFBAAHOSA-N 1 0 328.412 3.290 20 10 EGCDRO CCc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000815011303 1318865192 /nfs/dbraw/zinc/86/51/92/1318865192.db2.gz HSDCFKUFKLIJOZ-UHFFFAOYSA-N 1 0 325.456 3.113 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(Br)c2)c1 ZINC000815083404 1318886161 /nfs/dbraw/zinc/88/61/61/1318886161.db2.gz WQRGSQBMVFSTCS-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)C2)cc1C ZINC001022326034 1318893056 /nfs/dbraw/zinc/89/30/56/1318893056.db2.gz VNDRETAXXFZNOQ-LFDJNIOPSA-N 1 0 342.483 3.177 20 10 EGCDRO C[N@H+](Cc1ccc2ccccc2c1O)CC(C)(C)CN1CCOCC1 ZINC000816516609 1319173413 /nfs/dbraw/zinc/17/34/13/1319173413.db2.gz LFKDXHRESJGJQQ-UHFFFAOYSA-N 1 0 342.483 3.336 20 10 EGCDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOCC1 ZINC000816626169 1319196391 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COc1ccc(O)c(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000817413374 1319353931 /nfs/dbraw/zinc/35/39/31/1319353931.db2.gz XBWOKAPKQGLMFD-ZIAGYGMSSA-N 1 0 335.444 3.343 20 10 EGCDRO COc1ccc([C@@H](NCc2ccc3c(c2)CCO3)[C@H]2CCC[NH2+]2)cc1 ZINC000817902424 1319457314 /nfs/dbraw/zinc/45/73/14/1319457314.db2.gz QJCIQQXNFVEWST-TZIWHRDSSA-N 1 0 338.451 3.213 20 10 EGCDRO COc1ccc(C)cc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939103 1319466109 /nfs/dbraw/zinc/46/61/09/1319466109.db2.gz YWVUXMIWZXWCRF-KXBFYZLASA-N 1 0 327.472 3.420 20 10 EGCDRO COc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1OC ZINC000817938324 1319466307 /nfs/dbraw/zinc/46/63/07/1319466307.db2.gz JBWHYQHZZYUMDZ-KDOFPFPSSA-N 1 0 343.471 3.120 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938835 1319466933 /nfs/dbraw/zinc/46/69/33/1319466933.db2.gz UIIFZQGTGGQXOF-FOIQADDNSA-N 1 0 326.488 3.169 20 10 EGCDRO CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(C)cc1O ZINC000817951130 1319475054 /nfs/dbraw/zinc/47/50/54/1319475054.db2.gz BUSKSEDFKWHTDA-QGZVFWFLSA-N 1 0 326.444 3.068 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(Br)cc(F)c1[O-] ZINC000817970326 1319481392 /nfs/dbraw/zinc/48/13/92/1319481392.db2.gz RKGLKSMXGXHXOL-INTQDDNPSA-N 1 0 331.229 3.214 20 10 EGCDRO COC[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCC[NH2+]1 ZINC000817975849 1319484280 /nfs/dbraw/zinc/48/42/80/1319484280.db2.gz YHXUBPNYJJLOMQ-ZUZCIYMTSA-N 1 0 333.259 3.118 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817976250 1319484371 /nfs/dbraw/zinc/48/43/71/1319484371.db2.gz ISFNGPCEMFBCFP-VHSXEESVSA-N 1 0 333.245 3.462 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000818220716 1319521348 /nfs/dbraw/zinc/52/13/48/1319521348.db2.gz JEHNEZWZPSMZEN-CQSZACIVSA-N 1 0 343.496 3.257 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(Cl)nc3)C2)cc1 ZINC000818220694 1319521386 /nfs/dbraw/zinc/52/13/86/1319521386.db2.gz JAQVBJSHEYLYAU-HNNXBMFYSA-N 1 0 331.847 3.360 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(OC)c(F)c3)C2)cc1 ZINC000818220845 1319521831 /nfs/dbraw/zinc/52/18/31/1319521831.db2.gz MZOXVIJUNGPKHQ-INIZCTEOSA-N 1 0 344.430 3.459 20 10 EGCDRO COCc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000818222975 1319522564 /nfs/dbraw/zinc/52/25/64/1319522564.db2.gz ZNJOLDSDWJITAV-OAHLLOKOSA-N 1 0 330.428 3.051 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)C1(C)C ZINC000818341776 1319530256 /nfs/dbraw/zinc/53/02/56/1319530256.db2.gz GFNQVTVPAVQCMI-ATZDWAIDSA-N 1 0 332.488 3.315 20 10 EGCDRO O[C@H](C[NH2+]CCCSc1nccs1)Cc1cccc(Cl)c1 ZINC000819062081 1319625283 /nfs/dbraw/zinc/62/52/83/1319625283.db2.gz AZNUJCOOAUKRGQ-AWEZNQCLSA-N 1 0 342.917 3.472 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1c(F)cccc1F ZINC000819094203 1319633517 /nfs/dbraw/zinc/63/35/17/1319633517.db2.gz BNQKMRXHANCRGX-SFHVURJKSA-N 1 0 330.378 3.164 20 10 EGCDRO CC[C@H](CO)[NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000916570797 1319676185 /nfs/dbraw/zinc/67/61/85/1319676185.db2.gz VTBQSRXHNLUHAB-CQSZACIVSA-N 1 0 326.400 3.401 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000819377361 1319713683 /nfs/dbraw/zinc/71/36/83/1319713683.db2.gz QNHSRXQAOMZSIN-FXAWDEMLSA-N 1 0 342.483 3.022 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000819377281 1319713785 /nfs/dbraw/zinc/71/37/85/1319713785.db2.gz OIZJGOJXCKEWHU-FOIQADDNSA-N 1 0 330.447 3.454 20 10 EGCDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CNc1ccccc1OCC1CC1 ZINC000819450662 1319735629 /nfs/dbraw/zinc/73/56/29/1319735629.db2.gz DYPLNNKZQWXSLG-LJQANCHMSA-N 1 0 340.467 3.380 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCOC2)ccc1N1CCCCC1 ZINC000917396116 1319801358 /nfs/dbraw/zinc/80/13/58/1319801358.db2.gz HDYZCBNECLDQDR-INIZCTEOSA-N 1 0 333.432 3.101 20 10 EGCDRO CC(C)(C)CC[NH+]1CCN(Cc2c(O)ccc3ccncc32)CC1 ZINC000917620513 1319851454 /nfs/dbraw/zinc/85/14/54/1319851454.db2.gz YCUXHOJPDCAPBA-UHFFFAOYSA-N 1 0 327.472 3.494 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](C)[NH+](C)C ZINC000821719470 1320027190 /nfs/dbraw/zinc/02/71/90/1320027190.db2.gz CLAODIUWRYQQLU-CVEARBPZSA-N 1 0 326.440 3.432 20 10 EGCDRO CCOc1cccc(C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)c1O ZINC000822490533 1320087831 /nfs/dbraw/zinc/08/78/31/1320087831.db2.gz WEOJJECQKIVOBA-UHFFFAOYSA-N 1 0 348.830 3.481 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1O ZINC000822525332 1320093959 /nfs/dbraw/zinc/09/39/59/1320093959.db2.gz DXBOTURPFJSRIL-NVXWUHKLSA-N 1 0 333.815 3.362 20 10 EGCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CCC2(CCCC2)O1 ZINC000823576732 1320187946 /nfs/dbraw/zinc/18/79/46/1320187946.db2.gz WVJODICXCHDCDR-KRWDZBQOSA-N 1 0 347.455 3.249 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000823609567 1320192056 /nfs/dbraw/zinc/19/20/56/1320192056.db2.gz ZNWIPVMULWJPBU-OXQOHEQNSA-N 1 0 345.487 3.099 20 10 EGCDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000823855605 1320212107 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EGCDRO CCNC(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825131382 1320314122 /nfs/dbraw/zinc/31/41/22/1320314122.db2.gz NIWVKBIKPGLVRV-UHFFFAOYSA-N 1 0 332.831 3.394 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCC(=O)NCc2ccccc2)cc1Cl ZINC000825173128 1320315879 /nfs/dbraw/zinc/31/58/79/1320315879.db2.gz HZYKXJCDRJLDRL-UHFFFAOYSA-N 1 0 332.831 3.150 20 10 EGCDRO CC(C)OCCOC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000825207436 1320317866 /nfs/dbraw/zinc/31/78/66/1320317866.db2.gz JYAVGJUHAQSJLI-UHFFFAOYSA-N 1 0 338.467 3.298 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1 ZINC000825284249 1320324011 /nfs/dbraw/zinc/32/40/11/1320324011.db2.gz IMGMJWJSKDJIFY-JKSUJKDBSA-N 1 0 343.496 3.128 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1Cl ZINC000825298256 1320324521 /nfs/dbraw/zinc/32/45/21/1320324521.db2.gz XQYDKLDRVAAYAI-OAHLLOKOSA-N 1 0 327.758 3.455 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@@H]2CCCO[C@H]21 ZINC000825320996 1320327443 /nfs/dbraw/zinc/32/74/43/1320327443.db2.gz RFRLKJVELVVUMG-NWANDNLSSA-N 1 0 340.261 3.448 20 10 EGCDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000825316833 1320327832 /nfs/dbraw/zinc/32/78/32/1320327832.db2.gz VMSBRPDLEWKKFD-QAPCUYQASA-N 1 0 327.424 3.174 20 10 EGCDRO C[C@]1(C[NH2+]Cc2ccc(Br)cc2O)CCCC[C@@H]1O ZINC000825330769 1320328183 /nfs/dbraw/zinc/32/81/83/1320328183.db2.gz CMNXEUZKVYSXMH-LSDHHAIUSA-N 1 0 328.250 3.186 20 10 EGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000825347166 1320331093 /nfs/dbraw/zinc/33/10/93/1320331093.db2.gz JTGYQSGEWBHCQM-MRXNPFEDSA-N 1 0 336.229 3.286 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1Cl ZINC000826123607 1320385170 /nfs/dbraw/zinc/38/51/70/1320385170.db2.gz QVFNQCJLBGLNMI-OAHLLOKOSA-N 1 0 336.863 3.331 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c1O ZINC000827261152 1320438941 /nfs/dbraw/zinc/43/89/41/1320438941.db2.gz VWJOMQXVGASCHK-CQSZACIVSA-N 1 0 337.778 3.287 20 10 EGCDRO CC/C(C)=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311357 1320443006 /nfs/dbraw/zinc/44/30/06/1320443006.db2.gz YWADCTHSTQTSAX-WQMJKPAKSA-N 1 0 336.863 3.483 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000827341059 1320446433 /nfs/dbraw/zinc/44/64/33/1320446433.db2.gz RTCKWIQXJGZRJQ-FQEVSTJZSA-N 1 0 337.467 3.036 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H]3CCCCO3)cc2)CC1 ZINC000827479841 1320456218 /nfs/dbraw/zinc/45/62/18/1320456218.db2.gz ZRJADVHJGLNZPD-HXUWFJFHSA-N 1 0 332.488 3.303 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4c(n3)CCC4)CC2)cc1 ZINC000838803487 1320819422 /nfs/dbraw/zinc/81/94/22/1320819422.db2.gz PIJUBMWBEHFRSF-UHFFFAOYSA-N 1 0 337.467 3.291 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)c2ccccc2)c1 ZINC000839540308 1320934826 /nfs/dbraw/zinc/93/48/26/1320934826.db2.gz SKGRGBIRJZDQEE-ZIAGYGMSSA-N 1 0 328.412 3.103 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(O)c1 ZINC000840759862 1321142855 /nfs/dbraw/zinc/14/28/55/1321142855.db2.gz OXNGFVNVFSCJRR-CYBMUJFWSA-N 1 0 348.393 3.358 20 10 EGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000840764363 1321143343 /nfs/dbraw/zinc/14/33/43/1321143343.db2.gz SQONBVGVFWVUJS-OFQRWUPVSA-N 1 0 338.879 3.395 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000840880290 1321168703 /nfs/dbraw/zinc/16/87/03/1321168703.db2.gz BIEKBBZOKDYTPT-GUYCJALGSA-N 1 0 328.387 3.296 20 10 EGCDRO CCOC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840894803 1321171892 /nfs/dbraw/zinc/17/18/92/1321171892.db2.gz SXWYAJFKMJVHPQ-MRXNPFEDSA-N 1 0 347.503 3.203 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000840914420 1321176706 /nfs/dbraw/zinc/17/67/06/1321176706.db2.gz SVMMEUMXZCPKRM-UHFFFAOYSA-N 1 0 344.528 3.225 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000840939011 1321181468 /nfs/dbraw/zinc/18/14/68/1321181468.db2.gz SOOMNZZOJWUUGD-NRFANRHFSA-N 1 0 335.451 3.157 20 10 EGCDRO CCOc1ccc(CN(CC[NH3+])c2ccc3ccccc3n2)c(O)c1 ZINC000840959509 1321187044 /nfs/dbraw/zinc/18/70/44/1321187044.db2.gz XLHWBXZBJQJHHP-UHFFFAOYSA-N 1 0 337.423 3.304 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000840962868 1321188335 /nfs/dbraw/zinc/18/83/35/1321188335.db2.gz GWIVGCFIJHOXMN-SRVKXCTJSA-N 1 0 328.250 3.366 20 10 EGCDRO COc1cccc(O)c1C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000840972006 1321190721 /nfs/dbraw/zinc/19/07/21/1321190721.db2.gz DRYKJNXSAPIING-UHFFFAOYSA-N 1 0 338.448 3.090 20 10 EGCDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cc(OC)c(OC)cc2O)c1 ZINC000840973386 1321191642 /nfs/dbraw/zinc/19/16/42/1321191642.db2.gz LOUIOOVKNXGLQK-YOEHRIQHSA-N 1 0 343.423 3.311 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)COC(C)C)c1O ZINC000840974127 1321191679 /nfs/dbraw/zinc/19/16/79/1321191679.db2.gz XJKQJDIDNZXWMB-UHFFFAOYSA-N 1 0 346.265 3.457 20 10 EGCDRO COC(=O)c1occc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840977902 1321193200 /nfs/dbraw/zinc/19/32/00/1321193200.db2.gz XSLDDVISZJGOKM-CQSZACIVSA-N 1 0 330.428 3.161 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CNC[C@H]1CCCC[NH2+]1 ZINC000841033570 1321204693 /nfs/dbraw/zinc/20/46/93/1321204693.db2.gz VWESBANSHZUPOC-GOSISDBHSA-N 1 0 326.440 3.203 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841042457 1321208016 /nfs/dbraw/zinc/20/80/16/1321208016.db2.gz JTPDWSSCXYTCBB-OAQYLSRUSA-N 1 0 340.515 3.388 20 10 EGCDRO Nc1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000841301140 1321249622 /nfs/dbraw/zinc/24/96/22/1321249622.db2.gz BZSHBODIEPGVLM-UHFFFAOYSA-N 1 0 330.476 3.389 20 10 EGCDRO C[NH+](C)[C@H](CC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000841393108 1321268068 /nfs/dbraw/zinc/26/80/68/1321268068.db2.gz JJNXIKDWJJMSKV-OAHLLOKOSA-N 1 0 349.525 3.435 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccc(Cl)cc1O ZINC000841758065 1321307642 /nfs/dbraw/zinc/30/76/42/1321307642.db2.gz RUVHZZANYKRBNW-KGLIPLIRSA-N 1 0 346.858 3.444 20 10 EGCDRO [NH3+]C1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCC1 ZINC000841966416 1321332953 /nfs/dbraw/zinc/33/29/53/1321332953.db2.gz CFFREIUOZPMYCK-UHFFFAOYSA-N 1 0 331.460 3.118 20 10 EGCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000842010335 1321335047 /nfs/dbraw/zinc/33/50/47/1321335047.db2.gz JLLSIZGEPOAMCP-RDJZCZTQSA-N 1 0 345.487 3.364 20 10 EGCDRO C[NH2+][C@H](C)Cc1noc(-c2ccc3c(c2)c(C)c(C)n3CCOC)n1 ZINC000842630950 1321410461 /nfs/dbraw/zinc/41/04/61/1321410461.db2.gz IUTSAIDCACJXFW-GFCCVEGCSA-N 1 0 342.443 3.105 20 10 EGCDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843045650 1321461247 /nfs/dbraw/zinc/46/12/47/1321461247.db2.gz ZGXFPBYFTQNGNB-ZDUSSCGKSA-N 1 0 329.410 3.203 20 10 EGCDRO CCOc1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c(O)c1 ZINC000843119971 1321473152 /nfs/dbraw/zinc/47/31/52/1321473152.db2.gz YNAPWIYOECNPNX-GOSISDBHSA-N 1 0 330.403 3.077 20 10 EGCDRO Cc1ccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c(Cl)c1 ZINC000843349878 1321503334 /nfs/dbraw/zinc/50/33/34/1321503334.db2.gz LKAXQQHPZIMTKI-UHFFFAOYSA-N 1 0 343.858 3.498 20 10 EGCDRO COc1cccc(O)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000843416686 1321514374 /nfs/dbraw/zinc/51/43/74/1321514374.db2.gz KNYGJCZJDCWVJP-CHWSQXEVSA-N 1 0 338.448 3.182 20 10 EGCDRO Cc1cccc(C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c1O ZINC000843413763 1321514602 /nfs/dbraw/zinc/51/46/02/1321514602.db2.gz QHROUVDHLRPXHL-UHFFFAOYSA-N 1 0 349.471 3.413 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843486997 1321522283 /nfs/dbraw/zinc/52/22/83/1321522283.db2.gz YLNLUZYFPXKFCZ-FOIQADDNSA-N 1 0 342.414 3.184 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000846052281 1321764685 /nfs/dbraw/zinc/76/46/85/1321764685.db2.gz OJLWCHAKSUGLJD-UHFFFAOYSA-N 1 0 342.487 3.351 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1O ZINC000846142679 1321770708 /nfs/dbraw/zinc/77/07/08/1321770708.db2.gz BZFAJYLXDVLBMW-LBPRGKRZSA-N 1 0 348.830 3.135 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)c1O ZINC000846142541 1321771019 /nfs/dbraw/zinc/77/10/19/1321771019.db2.gz FIXIOLDXOASYDL-HOTGVXAUSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000846146893 1321771376 /nfs/dbraw/zinc/77/13/76/1321771376.db2.gz SMZPMNOPLNWXJO-OLZOCXBDSA-N 1 0 336.432 3.061 20 10 EGCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846151170 1321771829 /nfs/dbraw/zinc/77/18/29/1321771829.db2.gz UTUYQAILPWXAFC-PRBDWKGHSA-N 1 0 325.474 3.131 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000846169531 1321773664 /nfs/dbraw/zinc/77/36/64/1321773664.db2.gz DYESGONAUOSOAD-JSGCOSHPSA-N 1 0 335.831 3.481 20 10 EGCDRO COc1cccc([C@H](C)NCc2nccc(C(F)(F)F)n2)c1O ZINC000846172345 1321773880 /nfs/dbraw/zinc/77/38/80/1321773880.db2.gz LKMUDVDMAZRJJS-VIFPVBQESA-N 1 0 327.306 3.060 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C(=O)NCc1cccs1 ZINC000846172402 1321774088 /nfs/dbraw/zinc/77/40/88/1321774088.db2.gz LWNVLIGVPOPLNQ-WFASDCNBSA-N 1 0 348.468 3.208 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC/C=C\c2ccccc2)cc1 ZINC000846662955 1321799429 /nfs/dbraw/zinc/79/94/29/1321799429.db2.gz CIQOFPKDGVLFQP-ATYVUACHSA-N 1 0 337.467 3.362 20 10 EGCDRO C[C@H]([NH2+]CC1(Br)CC1)c1ccc(N2CCOCC2)cc1 ZINC000846843782 1321815884 /nfs/dbraw/zinc/81/58/84/1321815884.db2.gz CFSLOMIRIZSOFA-ZDUSSCGKSA-N 1 0 339.277 3.101 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(C(C)(C)C)c2)cc1 ZINC000848393606 1321957088 /nfs/dbraw/zinc/95/70/88/1321957088.db2.gz HUYPSVGLZYIOGT-IBGZPJMESA-N 1 0 339.483 3.480 20 10 EGCDRO Cc1cnc(OC2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)nc1 ZINC000848494881 1321965328 /nfs/dbraw/zinc/96/53/28/1321965328.db2.gz UTSHHHLUJGLWGF-UHFFFAOYSA-N 1 0 327.428 3.151 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)ccc1OC ZINC000848576104 1321978421 /nfs/dbraw/zinc/97/84/21/1321978421.db2.gz ZVCRTXRENMTDBQ-MOPGFXCFSA-N 1 0 332.488 3.338 20 10 EGCDRO CCc1nc(CN2CC[NH+](Cc3cccc(CC)c3O)CC2)cs1 ZINC000848882746 1322027891 /nfs/dbraw/zinc/02/78/91/1322027891.db2.gz AAJWNSBRYLQWAW-UHFFFAOYSA-N 1 0 345.512 3.291 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1O ZINC000848883366 1322028559 /nfs/dbraw/zinc/02/85/59/1322028559.db2.gz MJFFUJKIQPEAFD-UHFFFAOYSA-N 1 0 344.480 3.411 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c1O ZINC000848892593 1322032997 /nfs/dbraw/zinc/03/29/97/1322032997.db2.gz BIFXPVGMDGTXFZ-FQEVSTJZSA-N 1 0 340.467 3.118 20 10 EGCDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(CC)c3O)C2)ncn1 ZINC000848895233 1322034137 /nfs/dbraw/zinc/03/41/37/1322034137.db2.gz KKPNDZWJGWICSL-GOSISDBHSA-N 1 0 340.471 3.066 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1O ZINC000848904960 1322039692 /nfs/dbraw/zinc/03/96/92/1322039692.db2.gz FCWTWYPTTPLEAC-UHFFFAOYSA-N 1 0 329.419 3.201 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1O ZINC000848917340 1322045391 /nfs/dbraw/zinc/04/53/91/1322045391.db2.gz QYMVYUJNEWINSV-KRWDZBQOSA-N 1 0 328.412 3.165 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3c(C4CC4)cnn3C)CC2)cc1 ZINC000850117070 1322194048 /nfs/dbraw/zinc/19/40/48/1322194048.db2.gz VGQZFZLEBRWNBW-UHFFFAOYSA-N 1 0 340.471 3.065 20 10 EGCDRO COc1cc(CNc2ccn(CC[NH+](C)C)n2)c(O)c(C(C)(C)C)c1 ZINC000850184803 1322204183 /nfs/dbraw/zinc/20/41/83/1322204183.db2.gz XGCLUCVKXLLDEX-UHFFFAOYSA-N 1 0 346.475 3.069 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3scnc3C3CC3)cc2)CC1 ZINC000850406384 1322240062 /nfs/dbraw/zinc/24/00/62/1322240062.db2.gz FGRSFWLYEVTJJP-UHFFFAOYSA-N 1 0 343.496 3.271 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccc1F ZINC000850406199 1322241032 /nfs/dbraw/zinc/24/10/32/1322241032.db2.gz WXCDRNNURSXZOW-UHFFFAOYSA-N 1 0 328.431 3.385 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2N2CCCC2)c1 ZINC000850500078 1322257933 /nfs/dbraw/zinc/25/79/33/1322257933.db2.gz CODYJEYOHHKQCE-AWEZNQCLSA-N 1 0 327.428 3.247 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c(O)c1 ZINC000850531497 1322262147 /nfs/dbraw/zinc/26/21/47/1322262147.db2.gz KCRXEKBZJJNWJA-OAHLLOKOSA-N 1 0 339.501 3.407 20 10 EGCDRO c1nn(C2CCC2)cc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000921549529 1322349364 /nfs/dbraw/zinc/34/93/64/1322349364.db2.gz BBFFNBFEWGCFLM-UHFFFAOYSA-N 1 0 342.512 3.451 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000852108738 1323149647 /nfs/dbraw/zinc/14/96/47/1323149647.db2.gz LVJOPNJGKVNKHI-SFHVURJKSA-N 1 0 336.863 3.166 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C3(CF)CC3)C2)cc1C ZINC001024147457 1323172215 /nfs/dbraw/zinc/17/22/15/1323172215.db2.gz IRSCZLDKPVJEND-KRWDZBQOSA-N 1 0 348.462 3.082 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@@H]3CC34CC4)CC2)cc1C ZINC001026566393 1324899543 /nfs/dbraw/zinc/89/95/43/1324899543.db2.gz AXKMSVUGMPJZJT-ABHNRTSZSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1OC ZINC000853572225 1325125401 /nfs/dbraw/zinc/12/54/01/1325125401.db2.gz QNCVZRURFMCACS-YOEHRIQHSA-N 1 0 335.444 3.191 20 10 EGCDRO COC(=O)NC1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000853623971 1325136041 /nfs/dbraw/zinc/13/60/41/1325136041.db2.gz GOGLMUAEKKCYJZ-UHFFFAOYSA-N 1 0 334.460 3.319 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cocc3C)C2)cc1C ZINC001026999940 1325138846 /nfs/dbraw/zinc/13/88/46/1325138846.db2.gz HAHBPEOTUQGWNF-KRWDZBQOSA-N 1 0 342.439 3.157 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@]3(C)C=CCC3)C2)cc1C ZINC001027003239 1325142284 /nfs/dbraw/zinc/14/22/84/1325142284.db2.gz OTSBVUPCQXWICG-GHTZIAJQSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(CF)CCC3)C2)cc1C ZINC001027072418 1325201925 /nfs/dbraw/zinc/20/19/25/1325201925.db2.gz HDXHDPMUAPWZFM-QGZVFWFLSA-N 1 0 348.462 3.082 20 10 EGCDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1O ZINC000854223383 1325232129 /nfs/dbraw/zinc/23/21/29/1325232129.db2.gz DNAREQZTYYSMBZ-BJOOFOGMSA-N 1 0 332.394 3.467 20 10 EGCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854514422 1325270717 /nfs/dbraw/zinc/27/07/17/1325270717.db2.gz BLSOJNNEGKDKEI-GASCZTMLSA-N 1 0 349.438 3.208 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)n1-c1ccccn1 ZINC000855287052 1325368554 /nfs/dbraw/zinc/36/85/54/1325368554.db2.gz HIDCOZISKUWZKU-MRXNPFEDSA-N 1 0 340.471 3.092 20 10 EGCDRO CCc1cccc(C[NH2+]CCCc2cc(OC)c(O)c(OC)c2)c1O ZINC000857069989 1325567104 /nfs/dbraw/zinc/56/71/04/1325567104.db2.gz YPZRMFDTINZISJ-UHFFFAOYSA-N 1 0 345.439 3.400 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c(O)c1 ZINC000926905321 1327767191 /nfs/dbraw/zinc/76/71/91/1327767191.db2.gz JPGQQRHQWOCOQQ-HNNXBMFYSA-N 1 0 347.480 3.306 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccsc3)C2)cc1C ZINC000966877681 1328449926 /nfs/dbraw/zinc/44/99/26/1328449926.db2.gz DIGJUMHGIMFDAS-MRXNPFEDSA-N 1 0 330.453 3.069 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2n[nH]cc21 ZINC000862214366 1329466431 /nfs/dbraw/zinc/46/64/31/1329466431.db2.gz PMBPYFBKOLMCEM-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1n1ccnc1 ZINC000862251493 1329471676 /nfs/dbraw/zinc/47/16/76/1329471676.db2.gz FWXJAIKEFDIXRU-SCLBCKFNSA-N 1 0 334.414 3.310 20 10 EGCDRO CC(C)[C@H]([NH2+]Cc1c(O)cccc1Br)C1(CO)CCC1 ZINC000862374376 1329479882 /nfs/dbraw/zinc/47/98/82/1329479882.db2.gz KSUKZXVLYUYQRZ-HNNXBMFYSA-N 1 0 342.277 3.432 20 10 EGCDRO COCCc1ncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000865437184 1329697263 /nfs/dbraw/zinc/69/72/63/1329697263.db2.gz BWJBWUVDSAMENB-UHFFFAOYSA-N 1 0 331.485 3.004 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000932036602 1329781063 /nfs/dbraw/zinc/78/10/63/1329781063.db2.gz FSOBMMNRZIDJME-UHFFFAOYSA-N 1 0 337.467 3.451 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000934700368 1330000817 /nfs/dbraw/zinc/00/08/17/1330000817.db2.gz VCVGHDIWAWAIKA-SFHVURJKSA-N 1 0 342.439 3.387 20 10 EGCDRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1O ZINC000868238843 1330264132 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ZINC001323819512 1387467641 /nfs/dbraw/zinc/46/76/41/1387467641.db2.gz BLWPJKLQOLILEG-UHFFFAOYSA-N 1 0 343.446 3.119 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001323832641 1387468575 /nfs/dbraw/zinc/46/85/75/1387468575.db2.gz ZFDIVTGIIHNWQJ-IUODEOHRSA-N 1 0 329.444 3.343 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001323832647 1387468723 /nfs/dbraw/zinc/46/87/23/1387468723.db2.gz ZFDIVTGIIHNWQJ-WFASDCNBSA-N 1 0 329.444 3.343 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001091241340 1361018348 /nfs/dbraw/zinc/01/83/48/1361018348.db2.gz IXINKSXMNGBGQN-GPQLOAJWSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CC(C)C3)C[C@H]2C)cc1C ZINC001093707271 1361681379 /nfs/dbraw/zinc/68/13/79/1361681379.db2.gz JBQIMBIOFKGZOO-CGKCLMIXSA-N 1 0 344.499 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C2CCC2)C3)cc1C ZINC001094832810 1361919810 /nfs/dbraw/zinc/91/98/10/1361919810.db2.gz IBARLYUEJKGWOZ-WDSOQIARSA-N 1 0 342.483 3.273 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C(F)=C(C)C)C2)cc1C ZINC001100243304 1364055945 /nfs/dbraw/zinc/05/59/45/1364055945.db2.gz DCODOAFALSMMTI-UHFFFAOYSA-N 1 0 334.435 3.251 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC001324760064 1387762084 /nfs/dbraw/zinc/76/20/84/1387762084.db2.gz HANWENXORFRNMA-RDJZCZTQSA-N 1 0 347.499 3.347 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC001325326741 1387935367 /nfs/dbraw/zinc/93/53/67/1387935367.db2.gz YLUOGECFAYZSSV-PKOBYXMFSA-N 1 0 346.519 3.192 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)CCCF)C23CCC3)cc1C ZINC001203290712 1370064153 /nfs/dbraw/zinc/06/41/53/1370064153.db2.gz XMYWCIOMJKOKCT-QZTJIDSGSA-N 1 0 348.462 3.270 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](Cc1ccccc1O)C2 ZINC001203550083 1370165893 /nfs/dbraw/zinc/16/58/93/1370165893.db2.gz HCXMZAVYFZZGBV-IBGZPJMESA-N 1 0 332.444 3.368 20 10 EGCDRO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c(O)c1 ZINC001203623138 1370191047 /nfs/dbraw/zinc/19/10/47/1370191047.db2.gz JOQSWYZAPCWIMK-MOXGXCLJSA-N 1 0 331.456 3.428 20 10 EGCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)ccc1O ZINC001203649818 1370200404 /nfs/dbraw/zinc/20/04/04/1370200404.db2.gz HNAQINJFWUJATQ-PBWFPOADSA-N 1 0 326.234 3.297 20 10 EGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC001203649776 1370200669 /nfs/dbraw/zinc/20/06/69/1370200669.db2.gz GFCKCVWBWPNYJY-CQSZACIVSA-N 1 0 327.266 3.069 20 10 EGCDRO Cc1cc(O[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC001203665324 1370208619 /nfs/dbraw/zinc/20/86/19/1370208619.db2.gz GSHZMQMCTBIHJK-HNNXBMFYSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(O)(c3ccccc3F)CC2)c1 ZINC001203674791 1370212493 /nfs/dbraw/zinc/21/24/93/1370212493.db2.gz BTGVHAONAKAUBB-UHFFFAOYSA-N 1 0 331.387 3.024 20 10 EGCDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC001203884675 1370299001 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COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204239692 1370418722 /nfs/dbraw/zinc/41/87/22/1370418722.db2.gz CNPKILDBVWYNEX-INIZCTEOSA-N 1 0 326.440 3.433 20 10 EGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204241188 1370419594 /nfs/dbraw/zinc/41/95/94/1370419594.db2.gz ZRBRHJWUIUTWDD-FQEVSTJZSA-N 1 0 326.440 3.291 20 10 EGCDRO Oc1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(O)c1 ZINC001204274696 1370429229 /nfs/dbraw/zinc/42/92/29/1370429229.db2.gz GONNXUHLAZCXTD-UHFFFAOYSA-N 1 0 331.387 3.418 20 10 EGCDRO COc1cccc([C@@H]2CSCC[N@@H+]2Cc2ccc(O)cc2O)c1 ZINC001204277883 1370429919 /nfs/dbraw/zinc/42/99/19/1370429919.db2.gz NRRHHNLIJXFRSA-KRWDZBQOSA-N 1 0 331.437 3.397 20 10 EGCDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2O)c1 ZINC001204282012 1370430934 /nfs/dbraw/zinc/43/09/34/1370430934.db2.gz MJKYKSAYWNSPFA-QGZVFWFLSA-N 1 0 327.380 3.222 20 10 EGCDRO COc1ccccc1[C@H](O)C[N@H+](Cc1ccc(O)cc1O)C(C)C ZINC001204280724 1370431146 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Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC001321023480 1386786031 /nfs/dbraw/zinc/78/60/31/1386786031.db2.gz NGRSYVMBHFTWCU-BRWVUGGUSA-N 1 0 332.488 3.195 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1O ZINC001329511448 1389136655 /nfs/dbraw/zinc/13/66/55/1389136655.db2.gz FSYFIMVZAJCQCB-TZMCWYRMSA-N 1 0 334.851 3.017 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccsc1 ZINC001337015938 1389237119 /nfs/dbraw/zinc/23/71/19/1389237119.db2.gz MSWRLOSPORUDIK-QGZVFWFLSA-N 1 0 346.500 3.213 20 10 EGCDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001337042456 1389243047 /nfs/dbraw/zinc/24/30/47/1389243047.db2.gz NLBHXNFUCNBJDX-HOTGVXAUSA-N 1 0 338.492 3.378 20 10 EGCDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC001337239381 1389283811 /nfs/dbraw/zinc/28/38/11/1389283811.db2.gz OOWQAGKRZFDSFO-UHFFFAOYSA-N 1 0 344.249 3.237 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001330319647 1389387201 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COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccsc2)cc1C ZINC001755227075 1440786127 /nfs/dbraw/zinc/78/61/27/1440786127.db2.gz ROVSCEZGHGHDGG-ZIAGYGMSSA-N 1 0 332.469 3.362 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593197712 994164727 /nfs/dbraw/zinc/16/47/27/994164727.db2.gz KXVBDSDJTKEORN-OFQRWUPVSA-N 1 0 346.471 3.394 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000779076629 1126109382 /nfs/dbraw/zinc/10/93/82/1126109382.db2.gz DBEGUQAVGRNBQA-GOEBONIOSA-N 1 0 343.320 3.155 20 10 EGCDRO CC[C@@H]([NH2+]Cc1nncn1CC)c1cc(Br)ccc1O ZINC000230971641 456141888 /nfs/dbraw/zinc/14/18/88/456141888.db2.gz GGPFLEPDSYWGAS-GFCCVEGCSA-N 1 0 339.237 3.007 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000180678105 455225496 /nfs/dbraw/zinc/22/54/96/455225496.db2.gz IRCIAPVUXMBRCI-ZLOXQWCVSA-N 1 0 333.453 3.331 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157843490 455238604 /nfs/dbraw/zinc/23/86/04/455238604.db2.gz IWENONGLGCNNIE-LIVBEALHSA-N 1 0 348.462 3.271 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157843343 455239095 /nfs/dbraw/zinc/23/90/95/455239095.db2.gz IWENONGLGCNNIE-VHFSOBRXSA-N 1 0 348.462 3.271 20 10 EGCDRO COc1cccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1O ZINC000190022047 455273800 /nfs/dbraw/zinc/27/38/00/455273800.db2.gz URNQGEWINUIETR-UHFFFAOYSA-N 1 0 349.377 3.163 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1C ZINC000022003138 453685637 /nfs/dbraw/zinc/68/56/37/453685637.db2.gz DLCMRSDAYBMMKH-UHFFFAOYSA-N 1 0 338.451 3.403 20 10 EGCDRO c1ccn2c(c1)nnc2CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000023762353 453716878 /nfs/dbraw/zinc/71/68/78/453716878.db2.gz WYKVENPNMQWGQV-UHFFFAOYSA-N 1 0 335.455 3.052 20 10 EGCDRO Oc1ccccc1C[N@H+](CCCOCC(F)(F)F)C[C@H]1CCCO1 ZINC000077284173 454085742 /nfs/dbraw/zinc/08/57/42/454085742.db2.gz UCVACIIGFPKMNV-OAHLLOKOSA-N 1 0 347.377 3.342 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](CC(C)C)N(C)C)CC2)cc1 ZINC000131863618 454292501 /nfs/dbraw/zinc/29/25/01/454292501.db2.gz VOUUODRMUWKCAA-LJQANCHMSA-N 1 0 333.520 3.230 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000091949564 454493057 /nfs/dbraw/zinc/49/30/57/454493057.db2.gz PAAVOVDRFOFBOG-MRXNPFEDSA-N 1 0 330.472 3.171 20 10 EGCDRO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000102683885 454516714 /nfs/dbraw/zinc/51/67/14/454516714.db2.gz XXFYGXAIAIDWQJ-MRXNPFEDSA-N 1 0 325.456 3.028 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103320364 454549351 /nfs/dbraw/zinc/54/93/51/454549351.db2.gz HXUSTBROBBIFJJ-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO COCCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000123046444 454595930 /nfs/dbraw/zinc/59/59/30/454595930.db2.gz MPIRWERJXZGQJQ-UHFFFAOYSA-N 1 0 332.488 3.460 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N(C)C)cc1 ZINC000123992361 454692744 /nfs/dbraw/zinc/69/27/44/454692744.db2.gz RTKXTZDRVUEHLY-CRAIPNDOSA-N 1 0 337.467 3.488 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000161642971 454710553 /nfs/dbraw/zinc/71/05/53/454710553.db2.gz PRQXPZJEYVYTLA-UHFFFAOYSA-N 1 0 333.476 3.190 20 10 EGCDRO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1O ZINC000109772122 454835104 /nfs/dbraw/zinc/83/51/04/454835104.db2.gz UEZAYZBAKJSCCL-ZDUSSCGKSA-N 1 0 332.831 3.182 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCCNc3ccccn3)CC2)cc1 ZINC000163824241 454865217 /nfs/dbraw/zinc/86/52/17/454865217.db2.gz OHQVPSRMLOQASN-UHFFFAOYSA-N 1 0 340.471 3.151 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000126260004 454881892 /nfs/dbraw/zinc/88/18/92/454881892.db2.gz FILKMBGKDLFTCW-CABCVRRESA-N 1 0 336.451 3.128 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000177772785 454902408 /nfs/dbraw/zinc/90/24/08/454902408.db2.gz NJMSSLDNJZNOOJ-INIZCTEOSA-N 1 0 335.455 3.243 20 10 EGCDRO COCC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000167909234 454924565 /nfs/dbraw/zinc/92/45/65/454924565.db2.gz ROADZGUBEOZEPU-CZUORRHYSA-N 1 0 326.868 3.025 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccnc1Cl ZINC000151062167 454932390 /nfs/dbraw/zinc/93/23/90/454932390.db2.gz MDFMEZDTBUIMMZ-AWEZNQCLSA-N 1 0 331.847 3.422 20 10 EGCDRO Cc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)n1-c1ccccc1 ZINC000178800699 454978790 /nfs/dbraw/zinc/97/87/90/454978790.db2.gz IAYASSFOEWOBLT-HNNXBMFYSA-N 1 0 325.456 3.294 20 10 EGCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCC1 ZINC000151670858 455015361 /nfs/dbraw/zinc/01/53/61/455015361.db2.gz FXNDVTXWJJXLBU-WMZOPIPTSA-N 1 0 349.494 3.187 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccnc(Cl)c1 ZINC000171146999 455036487 /nfs/dbraw/zinc/03/64/87/455036487.db2.gz RHOJZSUKIOTKFZ-UHFFFAOYSA-N 1 0 331.847 3.204 20 10 EGCDRO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151854093 455039934 /nfs/dbraw/zinc/03/99/34/455039934.db2.gz BTYCFKQAVKNVQR-IAGOWNOFSA-N 1 0 349.494 3.187 20 10 EGCDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000155923060 455063449 /nfs/dbraw/zinc/06/34/49/455063449.db2.gz MAFVHKOMYJXRMW-AWEZNQCLSA-N 1 0 329.444 3.021 20 10 EGCDRO O=C(Oc1ccccc1)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000180057556 455124461 /nfs/dbraw/zinc/12/44/61/455124461.db2.gz MQYNEFZQHNVFBU-UHFFFAOYSA-N 1 0 344.386 3.238 20 10 EGCDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152528400 455131863 /nfs/dbraw/zinc/13/18/63/455131863.db2.gz YUZWHMVWZNUZCE-CVEARBPZSA-N 1 0 338.467 3.112 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000172209796 455134715 /nfs/dbraw/zinc/13/47/15/455134715.db2.gz IMWCDLIVPWIUAL-QGZVFWFLSA-N 1 0 325.456 3.118 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000130051226 455139882 /nfs/dbraw/zinc/13/98/82/455139882.db2.gz GXGDJGMSXBZUMX-UHFFFAOYSA-N 1 0 330.472 3.262 20 10 EGCDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000156831004 455152573 /nfs/dbraw/zinc/15/25/73/455152573.db2.gz WBQPMCIVECXSPW-MSOLQXFVSA-N 1 0 331.504 3.048 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccccc1Br ZINC000157249839 455176418 /nfs/dbraw/zinc/17/64/18/455176418.db2.gz NOTDJXONJXPRMD-MRXNPFEDSA-N 1 0 336.229 3.320 20 10 EGCDRO CN(C)C(=O)CC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000180557893 455196420 /nfs/dbraw/zinc/19/64/20/455196420.db2.gz OPCZMPFELPCMFD-UHFFFAOYSA-N 1 0 326.440 3.236 20 10 EGCDRO CC(C)Cn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000182997833 455206568 /nfs/dbraw/zinc/20/65/68/455206568.db2.gz YYKHCVKYGWNZMD-UHFFFAOYSA-N 1 0 342.487 3.008 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)c(C)n1-c1ccccc1C ZINC000237729396 455212959 /nfs/dbraw/zinc/21/29/59/455212959.db2.gz MZNAKCKQNXUWIY-QGZVFWFLSA-N 1 0 325.456 3.213 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccccc1O ZINC000183446080 455294044 /nfs/dbraw/zinc/29/40/44/455294044.db2.gz WXOCVBGHQOLNHX-AUUYWEPGSA-N 1 0 340.423 3.361 20 10 EGCDRO C[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O ZINC000183487067 455298951 /nfs/dbraw/zinc/29/89/51/455298951.db2.gz DFDIIFWSZXQMBE-LRDDRELGSA-N 1 0 325.330 3.493 20 10 EGCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000184295045 455369305 /nfs/dbraw/zinc/36/93/05/455369305.db2.gz JKGYDMOSQVOWTR-QGZVFWFLSA-N 1 0 339.483 3.450 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1O ZINC000184707606 455433145 /nfs/dbraw/zinc/43/31/45/455433145.db2.gz FNLFWHDMAGDJMN-UHFFFAOYSA-N 1 0 336.775 3.295 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc1OC ZINC000160435181 455458032 /nfs/dbraw/zinc/45/80/32/455458032.db2.gz HXYQDAQYRNPFPM-INIZCTEOSA-N 1 0 328.412 3.450 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1cc(F)ccc1O ZINC000184919466 455472537 /nfs/dbraw/zinc/47/25/37/455472537.db2.gz WTZLODSIRSJDJU-DNVCBOLYSA-N 1 0 344.430 3.255 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1 ZINC000185086674 455498562 /nfs/dbraw/zinc/49/85/62/455498562.db2.gz ZLMFLCNLHNJIIT-MRXNPFEDSA-N 1 0 347.480 3.356 20 10 EGCDRO COCCN1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185145059 455509796 /nfs/dbraw/zinc/50/97/96/455509796.db2.gz VQJPFZMSEPUIES-HNNXBMFYSA-N 1 0 332.488 3.032 20 10 EGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185155370 455512330 /nfs/dbraw/zinc/51/23/30/455512330.db2.gz QLMVSMXEAVVKKP-WDEREUQCSA-N 1 0 343.265 3.110 20 10 EGCDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cc(F)ccc1O ZINC000185167097 455515243 /nfs/dbraw/zinc/51/52/43/455515243.db2.gz XAQFRUWYMSWQKB-CYBMUJFWSA-N 1 0 337.416 3.046 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000185191603 455518712 /nfs/dbraw/zinc/51/87/12/455518712.db2.gz VRUYETQTXKBDAW-KDOFPFPSSA-N 1 0 338.467 3.110 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000185215049 455522251 /nfs/dbraw/zinc/52/22/51/455522251.db2.gz BSYJLOPROCKRBR-AWEZNQCLSA-N 1 0 334.460 3.089 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)ccc1O ZINC000185464924 455562122 /nfs/dbraw/zinc/56/21/22/455562122.db2.gz JCWOVQAOJUIJLA-WFASDCNBSA-N 1 0 328.387 3.267 20 10 EGCDRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(Br)cc1O ZINC000185705384 455601099 /nfs/dbraw/zinc/60/10/99/455601099.db2.gz RKSJWKWKAZEEIM-WCQYABFASA-N 1 0 344.249 3.001 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185866862 455637908 /nfs/dbraw/zinc/63/79/08/455637908.db2.gz AHWFTHSZHNHRES-ZDUSSCGKSA-N 1 0 343.471 3.426 20 10 EGCDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000186013904 455674748 /nfs/dbraw/zinc/67/47/48/455674748.db2.gz FDEDBPXXOVADPF-LBPRGKRZSA-N 1 0 334.366 3.141 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c(O)c1 ZINC000186022787 455677855 /nfs/dbraw/zinc/67/78/55/455677855.db2.gz VMBBLBCDEJLPCV-BBRMVZONSA-N 1 0 328.387 3.296 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000271571820 455688235 /nfs/dbraw/zinc/68/82/35/455688235.db2.gz YUKNXYGSGXEQJK-SJLPKXTDSA-N 1 0 330.472 3.276 20 10 EGCDRO CN(C)c1ccc(CN(C(=O)c2ccc3c[nH+]cn3c2)C2CC2)cc1 ZINC000284555843 455705445 /nfs/dbraw/zinc/70/54/45/455705445.db2.gz PXZZDTNDBZVZRD-UHFFFAOYSA-N 1 0 334.423 3.205 20 10 EGCDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000268776500 455713008 /nfs/dbraw/zinc/71/30/08/455713008.db2.gz RVMHVWAGCDKGCE-CYBMUJFWSA-N 1 0 349.475 3.321 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000192916371 455717174 /nfs/dbraw/zinc/71/71/74/455717174.db2.gz UHZSKMUYDDXARC-RHSMWYFYSA-N 1 0 330.428 3.482 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268984818 455754194 /nfs/dbraw/zinc/75/41/94/455754194.db2.gz SSAJNADGMYBJDZ-ZDUSSCGKSA-N 1 0 326.234 3.346 20 10 EGCDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000193559157 455764901 /nfs/dbraw/zinc/76/49/01/455764901.db2.gz GYFVIOYZNPEDFE-OAHLLOKOSA-N 1 0 342.439 3.155 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccnn1C ZINC000278168253 455775575 /nfs/dbraw/zinc/77/55/75/455775575.db2.gz CDRKQGHIGDAOOL-RBSFLKMASA-N 1 0 346.450 3.024 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1N(C)C ZINC000294024927 455803004 /nfs/dbraw/zinc/80/30/04/455803004.db2.gz HREDDSVTAQJTGX-ZBFHGGJFSA-N 1 0 330.394 3.196 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000269242481 455818945 /nfs/dbraw/zinc/81/89/45/455818945.db2.gz CSVJMSQXFBOVKR-KSSFIOAISA-N 1 0 325.456 3.212 20 10 EGCDRO COC[C@@H](O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294789936 455827915 /nfs/dbraw/zinc/82/79/15/455827915.db2.gz OFLDTFORBRXWNC-PKOBYXMFSA-N 1 0 329.440 3.053 20 10 EGCDRO C[C@H](CCCO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000294863233 455830106 /nfs/dbraw/zinc/83/01/06/455830106.db2.gz UAJLRKWVKUKNFS-MRXNPFEDSA-N 1 0 329.440 3.469 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(OC)c(OC)c1 ZINC000285360410 455830345 /nfs/dbraw/zinc/83/03/45/455830345.db2.gz BMDXANOTRDSIPS-AWEZNQCLSA-N 1 0 345.395 3.379 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000278407077 455834867 /nfs/dbraw/zinc/83/48/67/455834867.db2.gz PCYRSTDJYCPZJT-WFASDCNBSA-N 1 0 334.357 3.027 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000278475639 455837589 /nfs/dbraw/zinc/83/75/89/455837589.db2.gz OHJRLJMKIBCXGH-SJLPKXTDSA-N 1 0 341.503 3.196 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H](CC)NC(=O)OC(C)(C)C)c1O ZINC000295107810 455838961 /nfs/dbraw/zinc/83/89/61/455838961.db2.gz UMXKTOVYDKWPQD-CQSZACIVSA-N 1 0 338.448 3.184 20 10 EGCDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000295125133 455840358 /nfs/dbraw/zinc/84/03/58/455840358.db2.gz NWWUMPIQOZJVGJ-LBPRGKRZSA-N 1 0 326.412 3.314 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](OC)C[C@@H]3C)cc2)CC1 ZINC000295424623 455848974 /nfs/dbraw/zinc/84/89/74/455848974.db2.gz ULQQCWXKPWCZRL-OXJNMPFZSA-N 1 0 332.488 3.301 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000295778282 455859664 /nfs/dbraw/zinc/85/96/64/455859664.db2.gz RIBWTRCJGQLUEL-SFHVURJKSA-N 1 0 348.537 3.342 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000295778277 455859743 /nfs/dbraw/zinc/85/97/43/455859743.db2.gz RIBWTRCJGQLUEL-GOSISDBHSA-N 1 0 348.537 3.342 20 10 EGCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(C)cc1O ZINC000285532034 455865048 /nfs/dbraw/zinc/86/50/48/455865048.db2.gz COQLPDGKERBTEF-OAHLLOKOSA-N 1 0 325.474 3.099 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000279483681 455865329 /nfs/dbraw/zinc/86/53/29/455865329.db2.gz UDYYGOFXHALDBI-UHFFFAOYSA-N 1 0 341.455 3.313 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3cc(F)ccc3O)n2)c1 ZINC000279595860 455868256 /nfs/dbraw/zinc/86/82/56/455868256.db2.gz VUSYKZNYWJXCGR-VXGBXAGGSA-N 1 0 341.390 3.432 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](CC3CCC3)[C@@H](C)CO)cc2)CC1 ZINC000296061878 455868819 /nfs/dbraw/zinc/86/88/19/455868819.db2.gz RHPLICKETTXOFK-KRWDZBQOSA-N 1 0 346.515 3.285 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(O)CC3)cc2)CC1 ZINC000296146034 455870078 /nfs/dbraw/zinc/87/00/78/455870078.db2.gz XMXNYGVISCYCRV-HXUWFJFHSA-N 1 0 332.488 3.039 20 10 EGCDRO CCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1ccccc1 ZINC000279661889 455870282 /nfs/dbraw/zinc/87/02/82/455870282.db2.gz MAAQWJDTUINIAQ-BEFAXECRSA-N 1 0 329.396 3.113 20 10 EGCDRO CC[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000279925945 455878418 /nfs/dbraw/zinc/87/84/18/455878418.db2.gz AJXSRQNTTBSQQX-YTQUADARSA-N 1 0 329.440 3.226 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCOCC34CCCC4)cc2)CC1 ZINC000296202730 455879114 /nfs/dbraw/zinc/87/91/14/455879114.db2.gz FKDQZTVIWFOZCA-UHFFFAOYSA-N 1 0 344.499 3.447 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1O ZINC000187311016 455893376 /nfs/dbraw/zinc/89/33/76/455893376.db2.gz RXHHKNLNYSOKFT-NTZNESFSSA-N 1 0 326.234 3.051 20 10 EGCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(N3CCCCC3)cc1)C[C@@H](C)O2 ZINC000280453210 455975330 /nfs/dbraw/zinc/97/53/30/455975330.db2.gz LMMOZNLFXGVPHY-DBXWQHBBSA-N 1 0 344.499 3.445 20 10 EGCDRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cc(F)ccc1O ZINC000287447199 456069036 /nfs/dbraw/zinc/06/90/36/456069036.db2.gz UTZTXYMAOBLOQP-SNVBAGLBSA-N 1 0 342.212 3.231 20 10 EGCDRO CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287581165 456071983 /nfs/dbraw/zinc/07/19/83/456071983.db2.gz HLAVBVCEOGWIBS-QGZVFWFLSA-N 1 0 339.911 3.112 20 10 EGCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(Br)cc1O ZINC000280987198 456102217 /nfs/dbraw/zinc/10/22/17/456102217.db2.gz JKXHMJWWQIEOBE-GIGQVBGESA-N 1 0 346.290 3.107 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000271155571 456145580 /nfs/dbraw/zinc/14/55/80/456145580.db2.gz NFCQWEODKQJLJH-UHFFFAOYSA-N 1 0 335.444 3.345 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]CCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000236742849 456178243 /nfs/dbraw/zinc/17/82/43/456178243.db2.gz YGQJNMUVGBCWJV-UHFFFAOYSA-N 1 0 341.517 3.121 20 10 EGCDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000263695557 456195079 /nfs/dbraw/zinc/19/50/79/456195079.db2.gz QDBNMADZWFCIRV-UHFFFAOYSA-N 1 0 329.488 3.214 20 10 EGCDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2=O)cc1 ZINC000189085375 456221957 /nfs/dbraw/zinc/22/19/57/456221957.db2.gz CFXCXVZTUOLNKB-KDOFPFPSSA-N 1 0 342.414 3.291 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000273427602 456230423 /nfs/dbraw/zinc/23/04/23/456230423.db2.gz URXXHQNBGRWJIA-GFCCVEGCSA-N 1 0 347.411 3.277 20 10 EGCDRO Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c(O)c1 ZINC000273525968 456236701 /nfs/dbraw/zinc/23/67/01/456236701.db2.gz VFNZLXOHDBKIFJ-WBVHZDCISA-N 1 0 340.471 3.409 20 10 EGCDRO C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273567941 456239591 /nfs/dbraw/zinc/23/95/91/456239591.db2.gz JZGBOTGOTLZLGV-CYBMUJFWSA-N 1 0 333.432 3.358 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000273736236 456243931 /nfs/dbraw/zinc/24/39/31/456243931.db2.gz LDXHOBDOCMUEHS-MGPLVRAMSA-N 1 0 339.794 3.405 20 10 EGCDRO CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccccc1O ZINC000274761748 456265107 /nfs/dbraw/zinc/26/51/07/456265107.db2.gz KGTCINNRLYSAQM-SJLPKXTDSA-N 1 0 340.471 3.491 20 10 EGCDRO COCCOCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275355937 456272662 /nfs/dbraw/zinc/27/26/62/456272662.db2.gz RTWQAQIAQNDAAJ-LBPRGKRZSA-N 1 0 346.265 3.167 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000275320134 456273211 /nfs/dbraw/zinc/27/32/11/456273211.db2.gz KUVUTAGUKAUCKK-OIBJUYFYSA-N 1 0 342.155 3.037 20 10 EGCDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000275426102 456274944 /nfs/dbraw/zinc/27/49/44/456274944.db2.gz DXIONXFBFDTXEF-OALUTQOASA-N 1 0 340.471 3.030 20 10 EGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1cccc(OCC)c1O ZINC000290440719 456328648 /nfs/dbraw/zinc/32/86/48/456328648.db2.gz LUWYVMIUONRCCM-UHFFFAOYSA-N 1 0 331.460 3.462 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3O)C[C@H]2C1 ZINC000290980358 456485447 /nfs/dbraw/zinc/48/54/47/456485447.db2.gz UAOYXIYKSGOKPU-HOCLYGCPSA-N 1 0 332.444 3.081 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)c3cccs3)CC2)cc1 ZINC000305126323 456528977 /nfs/dbraw/zinc/52/89/77/456528977.db2.gz LHAHDDGCRDYQQG-LJQANCHMSA-N 1 0 346.496 3.223 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000282488749 456529876 /nfs/dbraw/zinc/52/98/76/456529876.db2.gz PPLOWLGHEZOPHG-CQSZACIVSA-N 1 0 344.377 3.158 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000291490854 456657931 /nfs/dbraw/zinc/65/79/31/456657931.db2.gz GNKHABRCHWYHEH-XJKSGUPXSA-N 1 0 325.836 3.444 20 10 EGCDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349339609 456946409 /nfs/dbraw/zinc/94/64/09/456946409.db2.gz DJBCKRGDCHDQCE-CQSZACIVSA-N 1 0 330.476 3.016 20 10 EGCDRO CCC[NH+]1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000349492661 456977310 /nfs/dbraw/zinc/97/73/10/456977310.db2.gz MKQBRUCBCAAUGD-UHFFFAOYSA-N 1 0 342.487 3.160 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC000378439297 457395628 /nfs/dbraw/zinc/39/56/28/457395628.db2.gz ODWXEVIFASTVFA-UHFFFAOYSA-N 1 0 325.408 3.422 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCN(c3ccccc3)C1)OCO2 ZINC000366050043 457790214 /nfs/dbraw/zinc/79/02/14/457790214.db2.gz XBZBIRFCNJTURU-HNNXBMFYSA-N 1 0 340.423 3.127 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCCOC2)O1 ZINC000366473108 457820487 /nfs/dbraw/zinc/82/04/87/457820487.db2.gz WEDLOIHVYPVTEI-WIYYLYMNSA-N 1 0 344.499 3.447 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367270600 457938909 /nfs/dbraw/zinc/93/89/09/457938909.db2.gz LRXUZDDTOYDKEH-MSOLQXFVSA-N 1 0 345.487 3.331 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCC3(CCC[N@H+]3C)CC2)c1O ZINC000371687997 458033372 /nfs/dbraw/zinc/03/33/72/458033372.db2.gz CAYWUTATQJAATO-UHFFFAOYSA-N 1 0 336.863 3.308 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000369034730 458071556 /nfs/dbraw/zinc/07/15/56/458071556.db2.gz IHHMABMLFKKMCQ-UHFFFAOYSA-N 1 0 335.810 3.292 20 10 EGCDRO COCCC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000529638365 459831746 /nfs/dbraw/zinc/83/17/46/459831746.db2.gz RMBPGPSBFCJWKT-UHFFFAOYSA-N 1 0 328.250 3.403 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366651492 547783835 /nfs/dbraw/zinc/78/38/35/547783835.db2.gz GZEOFJTXGZILQO-GOSISDBHSA-N 1 0 345.487 3.331 20 10 EGCDRO C[C@H](CC[NH+](C)C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000726246374 574547373 /nfs/dbraw/zinc/54/73/73/574547373.db2.gz CVGVMNJHKKBNEM-OAHLLOKOSA-N 1 0 345.443 3.037 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000729304918 574836620 /nfs/dbraw/zinc/83/66/20/574836620.db2.gz COORNZVHJLSBEK-LJQANCHMSA-N 1 0 331.504 3.366 20 10 EGCDRO CCC/C(C)=C\C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730194331 574940568 /nfs/dbraw/zinc/94/05/68/574940568.db2.gz MPYHCVCFTUTYEL-SSZFMOIBSA-N 1 0 347.478 3.330 20 10 EGCDRO Cc1ccccc1C[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000731872208 575214211 /nfs/dbraw/zinc/21/42/11/575214211.db2.gz YLZLEWSOFCCUCP-UHFFFAOYSA-N 1 0 330.453 3.157 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)C1=CC(=O)CS1)c1cccc(OC)c1 ZINC000731866370 575216185 /nfs/dbraw/zinc/21/61/85/575216185.db2.gz GPWGEZSNFZONGZ-INIZCTEOSA-N 1 0 348.468 3.275 20 10 EGCDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732821007 575289835 /nfs/dbraw/zinc/28/98/35/575289835.db2.gz SSTCBTQUMHJALY-BEFAXECRSA-N 1 0 349.475 3.472 20 10 EGCDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820276 575290170 /nfs/dbraw/zinc/29/01/70/575290170.db2.gz GSVPKTLKVUUXNE-KSSFIOAISA-N 1 0 335.448 3.082 20 10 EGCDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820275 575290222 /nfs/dbraw/zinc/29/02/22/575290222.db2.gz GSVPKTLKVUUXNE-KDOFPFPSSA-N 1 0 335.448 3.082 20 10 EGCDRO Oc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000734843930 575559520 /nfs/dbraw/zinc/55/95/20/575559520.db2.gz SYLBDVIRCHMASA-GOEBONIOSA-N 1 0 325.330 3.016 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000739875423 576513119 /nfs/dbraw/zinc/51/31/19/576513119.db2.gz JOSIWIKTEVQWGE-CYBMUJFWSA-N 1 0 333.350 3.158 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000741676717 576710444 /nfs/dbraw/zinc/71/04/44/576710444.db2.gz OXLPAIOVYRUSJY-QZTJIDSGSA-N 1 0 345.531 3.469 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)ccc1N1CCCCC1 ZINC000742372160 576774773 /nfs/dbraw/zinc/77/47/73/576774773.db2.gz ISQBFMCJERXFQQ-DOTOQJQBSA-N 1 0 347.459 3.226 20 10 EGCDRO COCCCN(C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742374883 576775516 /nfs/dbraw/zinc/77/55/16/576775516.db2.gz JNDBXWWHFIZWPQ-UHFFFAOYSA-N 1 0 328.456 3.117 20 10 EGCDRO C[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742374696 576775532 /nfs/dbraw/zinc/77/55/32/576775532.db2.gz CXOWXDPJFUUKQF-NVXWUHKLSA-N 1 0 346.475 3.157 20 10 EGCDRO Cc1cc(N(C)C)nc(NCc2ccc(N3CCCCC3)cc2)[nH+]1 ZINC000742568895 576790078 /nfs/dbraw/zinc/79/00/78/576790078.db2.gz BLYJRTRRHZINFY-UHFFFAOYSA-N 1 0 325.460 3.453 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)N2CCC[C@@H]2C)cc1 ZINC000743839788 576816425 /nfs/dbraw/zinc/81/64/25/576816425.db2.gz ZNFYRGJJJUAMLL-KRWDZBQOSA-N 1 0 331.504 3.366 20 10 EGCDRO C[C@@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(N(C)C)cc1 ZINC000824538109 609249541 /nfs/dbraw/zinc/24/95/41/609249541.db2.gz HJTJPBKRTOHCRP-CQSZACIVSA-N 1 0 348.454 3.273 20 10 EGCDRO C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000397851518 1297705128 /nfs/dbraw/zinc/70/51/28/1297705128.db2.gz SHLSCMUMGQKHNR-CQSZACIVSA-N 1 0 333.476 3.270 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CC1(O)CCCCCC1 ZINC000701094035 1298184249 /nfs/dbraw/zinc/18/42/49/1298184249.db2.gz OHUPXNJHPARVTA-UHFFFAOYSA-N 1 0 328.250 3.330 20 10 EGCDRO COCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[C@H](C)C1 ZINC000877473917 1299324977 /nfs/dbraw/zinc/32/49/77/1299324977.db2.gz NNLGYLVUKCXERG-PXNSSMCTSA-N 1 0 346.515 3.285 20 10 EGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000877572947 1299408019 /nfs/dbraw/zinc/40/80/19/1299408019.db2.gz UWYNAPHDYNJUNU-UXHICEINSA-N 1 0 344.499 3.037 20 10 EGCDRO CC(C)CN1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743417 1321305268 /nfs/dbraw/zinc/30/52/68/1321305268.db2.gz GDURXGHFQUEDIY-UKRRQHHQSA-N 1 0 326.868 3.053 20 10 EGCDRO CCCC[N@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014261246 1291140235 /nfs/dbraw/zinc/14/02/35/1291140235.db2.gz ZMXOEGCPKHWMOE-INIZCTEOSA-N 1 0 347.480 3.335 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000066700874 1292127259 /nfs/dbraw/zinc/12/72/59/1292127259.db2.gz HBKMWQICUAOJAF-KRWDZBQOSA-N 1 0 347.503 3.436 20 10 EGCDRO O=C1OCCN1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000827747252 1292363781 /nfs/dbraw/zinc/36/37/81/1292363781.db2.gz WYGXWNQUNNXYJF-UHFFFAOYSA-N 1 0 343.471 3.094 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)cc1)C1CCCCC1 ZINC000827821411 1292382036 /nfs/dbraw/zinc/38/20/36/1292382036.db2.gz YHGYZRXEIYXYIB-IBGZPJMESA-N 1 0 329.488 3.199 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COCc1ccccc1F ZINC000076074434 1292418813 /nfs/dbraw/zinc/41/88/13/1292418813.db2.gz URPRYCUDJCWFJU-SFHVURJKSA-N 1 0 347.430 3.321 20 10 EGCDRO COc1ccc(N2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)cc1F ZINC000828031305 1292421724 /nfs/dbraw/zinc/42/17/24/1292421724.db2.gz LKXWEIPXZVBPPY-SFHVURJKSA-N 1 0 349.494 3.219 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1C ZINC000078302733 1292505519 /nfs/dbraw/zinc/50/55/19/1292505519.db2.gz KNMMHLAKTNXHEM-FQEVSTJZSA-N 1 0 340.467 3.167 20 10 EGCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828965089 1292522794 /nfs/dbraw/zinc/52/27/94/1292522794.db2.gz KRQHIUHJIHEMAS-QUCCMNQESA-N 1 0 332.488 3.269 20 10 EGCDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000829093420 1292538507 /nfs/dbraw/zinc/53/85/07/1292538507.db2.gz ZJPNGYKSADOXDO-LJQANCHMSA-N 1 0 332.488 3.223 20 10 EGCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)COCc1ccccc1 ZINC000092472289 1292871265 /nfs/dbraw/zinc/87/12/65/1292871265.db2.gz HIWKECBXUHDILS-KRWDZBQOSA-N 1 0 335.831 3.055 20 10 EGCDRO CC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)Cc2ccccc2C1 ZINC000092853737 1292893462 /nfs/dbraw/zinc/89/34/62/1292893462.db2.gz KPKXMDXCVBGYOC-UHFFFAOYSA-N 1 0 340.442 3.309 20 10 EGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093360193 1292919328 /nfs/dbraw/zinc/91/93/28/1292919328.db2.gz ODRARHKDYPILNW-NSHDSACASA-N 1 0 328.840 3.391 20 10 EGCDRO CCOC[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093838722 1292933555 /nfs/dbraw/zinc/93/35/55/1292933555.db2.gz HUBILJWDWHXUDN-LLVKDONJSA-N 1 0 344.249 3.022 20 10 EGCDRO Cc1cc(C)c(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000832267419 1292979297 /nfs/dbraw/zinc/97/92/97/1292979297.db2.gz RTOYYBUZVKIKRX-FQEVSTJZSA-N 1 0 339.483 3.037 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000103116442 1292995245 /nfs/dbraw/zinc/99/52/45/1292995245.db2.gz TUCBRABNTZEVNM-UHFFFAOYSA-N 1 0 331.485 3.323 20 10 EGCDRO CC(C)(C)c1nnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000111232943 1293102067 /nfs/dbraw/zinc/10/20/67/1293102067.db2.gz MKKRNJAUDOTXIS-HNNXBMFYSA-N 1 0 345.443 3.254 20 10 EGCDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000834535114 1293112909 /nfs/dbraw/zinc/11/29/09/1293112909.db2.gz YQSYLIPXQUQRDF-ZYSHUDEJSA-N 1 0 330.472 3.131 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000113314385 1293146547 /nfs/dbraw/zinc/14/65/47/1293146547.db2.gz FUAAJSFFYSKMOM-INIZCTEOSA-N 1 0 346.858 3.036 20 10 EGCDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000834904904 1293171062 /nfs/dbraw/zinc/17/10/62/1293171062.db2.gz QMEVDYMIANYPHA-KSMMKXTCSA-N 1 0 336.451 3.126 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2)c(O)c1 ZINC000834915606 1293176160 /nfs/dbraw/zinc/17/61/60/1293176160.db2.gz SHKFPFRRDAUOJQ-JKSUJKDBSA-N 1 0 326.440 3.099 20 10 EGCDRO COC(=O)c1cc(C[N@H+](C)Cc2c(O)ccc3ccncc32)oc1C ZINC000835186672 1293228734 /nfs/dbraw/zinc/22/87/34/1293228734.db2.gz HEAQGZUPYGQZBG-UHFFFAOYSA-N 1 0 340.379 3.260 20 10 EGCDRO FC(F)(F)c1cccnc1OCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000122863209 1293427421 /nfs/dbraw/zinc/42/74/21/1293427421.db2.gz CRUITZCNKNLLLN-UHFFFAOYSA-N 1 0 338.329 3.204 20 10 EGCDRO C[C@@H]1CCC[C@](C[NH2+]Cc2ccc(N3CCOCC3)cc2)(N(C)C)C1 ZINC000129424685 1293623941 /nfs/dbraw/zinc/62/39/41/1293623941.db2.gz OMUDNOZNHJZXQX-NQIIRXRSSA-N 1 0 345.531 3.123 20 10 EGCDRO CC[C@H]([NH2+]CCc1cnn(C)c1)c1cc(Br)ccc1O ZINC000148823720 1293885109 /nfs/dbraw/zinc/88/51/09/1293885109.db2.gz SSUYGHYMESMVRI-AWEZNQCLSA-N 1 0 338.249 3.172 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000152878315 1293988718 /nfs/dbraw/zinc/98/87/18/1293988718.db2.gz PKTJZMZYSDKLPF-QFBILLFUSA-N 1 0 328.456 3.152 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000153883173 1294032625 /nfs/dbraw/zinc/03/26/25/1294032625.db2.gz ZBIJXQSSWWVKGW-KSSFIOAISA-N 1 0 334.460 3.089 20 10 EGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(C)c(F)c1)c1ccccc1O ZINC000155076009 1294083186 /nfs/dbraw/zinc/08/31/86/1294083186.db2.gz NJWWEOJROFDNJJ-QGZVFWFLSA-N 1 0 330.403 3.310 20 10 EGCDRO COc1cc(C)cc(CN2C[C@H]([NH+](C)C)Cc3ccccc32)c1O ZINC000158559262 1294207961 /nfs/dbraw/zinc/20/79/61/1294207961.db2.gz TYJWOEBLHYTHPE-QGZVFWFLSA-N 1 0 326.440 3.202 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)c1cc(Br)ccc1O ZINC000160087192 1294257764 /nfs/dbraw/zinc/25/77/64/1294257764.db2.gz ACGKWNFAIRFLGJ-HIFRSBDPSA-N 1 0 344.249 3.001 20 10 EGCDRO Cc1nc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)sc1C ZINC000164607413 1294351434 /nfs/dbraw/zinc/35/14/34/1294351434.db2.gz UTHHCSIDIIECKO-UHFFFAOYSA-N 1 0 331.485 3.405 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1O ZINC000171134655 1294395257 /nfs/dbraw/zinc/39/52/57/1294395257.db2.gz OHSIXMXFTOVWGM-UHFFFAOYSA-N 1 0 338.201 3.159 20 10 EGCDRO C[C@H](C(=O)NCCCSc1nccs1)[NH+]1CCCCCC1 ZINC000173561382 1294466083 /nfs/dbraw/zinc/46/60/83/1294466083.db2.gz MKEYBGKWIZKQNE-CYBMUJFWSA-N 1 0 327.519 3.006 20 10 EGCDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000177918807 1294701964 /nfs/dbraw/zinc/70/19/64/1294701964.db2.gz AWEIEPHVGZKTLH-AWEZNQCLSA-N 1 0 346.393 3.143 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]C[C@]2(O)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000179023825 1294768906 /nfs/dbraw/zinc/76/89/06/1294768906.db2.gz HSTVQTOEWXMCIL-HXUWFJFHSA-N 1 0 335.488 3.228 20 10 EGCDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@H](O)c1ccc(C)cc1 ZINC000180419886 1294886154 /nfs/dbraw/zinc/88/61/54/1294886154.db2.gz XBUKVHJXONCAKZ-SFHVURJKSA-N 1 0 345.439 3.273 20 10 EGCDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181161702 1294943545 /nfs/dbraw/zinc/94/35/45/1294943545.db2.gz ITNHZAAQEGJZGI-VQHVLOKHSA-N 1 0 326.396 3.120 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(F)cc2)c1 ZINC000182355518 1295038710 /nfs/dbraw/zinc/03/87/10/1295038710.db2.gz QYGLDQTVYVZGKA-GFCCVEGCSA-N 1 0 332.375 3.219 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCC2=CCCCC2)c1 ZINC000182426442 1295046084 /nfs/dbraw/zinc/04/60/84/1295046084.db2.gz VGFZPWCCSMBCES-CQSZACIVSA-N 1 0 332.444 3.058 20 10 EGCDRO CC1([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)OCCO1 ZINC000182823588 1295078286 /nfs/dbraw/zinc/07/82/86/1295078286.db2.gz AQFOMFLXCJRHEH-GOSISDBHSA-N 1 0 331.456 3.246 20 10 EGCDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)N1CCN(c2ccccc2)CC1 ZINC000183417541 1295117637 /nfs/dbraw/zinc/11/76/37/1295117637.db2.gz PLOZKFQOHCOOGE-QZTJIDSGSA-N 1 0 339.483 3.254 20 10 EGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c1 ZINC000184937975 1295228811 /nfs/dbraw/zinc/22/88/11/1295228811.db2.gz AWFSKDPPINHWMF-UHFFFAOYSA-N 1 0 340.471 3.245 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)c(O)c1 ZINC000184981841 1295233727 /nfs/dbraw/zinc/23/37/27/1295233727.db2.gz MECMITNDHIDNAI-AWEZNQCLSA-N 1 0 330.403 3.229 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N3CCCC3=O)c2)c1 ZINC000185019478 1295235138 /nfs/dbraw/zinc/23/51/38/1295235138.db2.gz HMAYZMYKIFGFBP-CQSZACIVSA-N 1 0 340.423 3.378 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]CCc2nn(C)c3ccccc23)c1 ZINC000187389844 1295386096 /nfs/dbraw/zinc/38/60/96/1295386096.db2.gz NICWVHPWYTZZGE-UHFFFAOYSA-N 1 0 325.412 3.010 20 10 EGCDRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000190072632 1295559851 /nfs/dbraw/zinc/55/98/51/1295559851.db2.gz DFXOTJWUABNKGS-UHFFFAOYSA-N 1 0 336.407 3.188 20 10 EGCDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000195245563 1296052016 /nfs/dbraw/zinc/05/20/16/1296052016.db2.gz JHWQTKKVUUWEGC-HDICACEKSA-N 1 0 337.467 3.002 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H](c2ccco2)N(C)C)ccc1OC ZINC000195264326 1296053203 /nfs/dbraw/zinc/05/32/03/1296053203.db2.gz BJEITRPRPKVIFC-QGZVFWFLSA-N 1 0 332.444 3.217 20 10 EGCDRO COc1ccccc1CC[NH2+]Cc1cc(Br)ccc1O ZINC000227434495 1296143801 /nfs/dbraw/zinc/14/38/01/1296143801.db2.gz PYBYCQHBJGZEED-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1F ZINC000236910681 1296211462 /nfs/dbraw/zinc/21/14/62/1296211462.db2.gz YENQZQNPSYIXEM-OAHLLOKOSA-N 1 0 349.494 3.314 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)cc1C ZINC000237129769 1296221939 /nfs/dbraw/zinc/22/19/39/1296221939.db2.gz OPRJOZPKHMTAQC-UHFFFAOYSA-N 1 0 330.403 3.052 20 10 EGCDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000237259579 1296231887 /nfs/dbraw/zinc/23/18/87/1296231887.db2.gz YFLZCXKPTWADPP-QGZVFWFLSA-N 1 0 325.456 3.227 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)c2C)cc1 ZINC000237505730 1296248715 /nfs/dbraw/zinc/24/87/15/1296248715.db2.gz GUFUICZSXJDQBL-XJKSGUPXSA-N 1 0 341.455 3.055 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000237761938 1296262763 /nfs/dbraw/zinc/26/27/63/1296262763.db2.gz NRCPDORFURHDIS-MRXNPFEDSA-N 1 0 334.460 3.498 20 10 EGCDRO [NH3+][C@H](CCC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000237918985 1296272425 /nfs/dbraw/zinc/27/24/25/1296272425.db2.gz DTUHYXZEROWMLZ-CQSZACIVSA-N 1 0 335.498 3.222 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000247112260 1296383276 /nfs/dbraw/zinc/38/32/76/1296383276.db2.gz TXDVDVQDDBFATI-DLBZAZTESA-N 1 0 339.483 3.498 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000872138681 1296764320 /nfs/dbraw/zinc/76/43/20/1296764320.db2.gz XXCGDLQHFKZCJO-ARGWCVDVSA-N 1 0 345.439 3.491 20 10 EGCDRO CCc1cc(C[NH+]2CCC(C(=O)NOC)CC2)c(O)c(C(C)(C)C)c1 ZINC000872792187 1297113930 /nfs/dbraw/zinc/11/39/30/1297113930.db2.gz MFUYDZKWKPHNOV-UHFFFAOYSA-N 1 0 348.487 3.142 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000325070710 1297219089 /nfs/dbraw/zinc/21/90/89/1297219089.db2.gz XEUCUBKCAFDFBQ-CJNGLKHVSA-N 1 0 328.456 3.240 20 10 EGCDRO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000326070019 1297231378 /nfs/dbraw/zinc/23/13/78/1297231378.db2.gz LXMQEZGKVCWMNL-APWZRJJASA-N 1 0 329.488 3.023 20 10 EGCDRO CCC1(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCOCC1 ZINC000873066797 1297257110 /nfs/dbraw/zinc/25/71/10/1297257110.db2.gz GQWFSKVFXPQMJZ-UHFFFAOYSA-N 1 0 343.471 3.236 20 10 EGCDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873129864 1297287820 /nfs/dbraw/zinc/28/78/20/1297287820.db2.gz RYYHQQUCERSVST-UYAOXDASSA-N 1 0 343.471 3.377 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000873132319 1297288677 /nfs/dbraw/zinc/28/86/77/1297288677.db2.gz OOHUYRDTUQCTGI-QGZVFWFLSA-N 1 0 348.450 3.255 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1 ZINC000873195217 1297340806 /nfs/dbraw/zinc/34/08/06/1297340806.db2.gz ZJBIVJYYKZDVAY-LEWJYISDSA-N 1 0 340.467 3.125 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)c(F)cc1[O-] ZINC000873238751 1297379950 /nfs/dbraw/zinc/37/99/50/1297379950.db2.gz FTTFMABKSCJKKZ-DCAQKATOSA-N 1 0 345.256 3.462 20 10 EGCDRO CC[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1O ZINC000380259345 1297544157 /nfs/dbraw/zinc/54/41/57/1297544157.db2.gz PIZACDKZXCMMLA-CQSZACIVSA-N 1 0 338.249 3.482 20 10 EGCDRO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386334866 1297590540 /nfs/dbraw/zinc/59/05/40/1297590540.db2.gz MUKLKZXLJFNGBM-WBVHZDCISA-N 1 0 338.455 3.301 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000392871620 1297661643 /nfs/dbraw/zinc/66/16/43/1297661643.db2.gz BYVMXGOHEIARPX-VNQPRFMTSA-N 1 0 341.455 3.105 20 10 EGCDRO C[C@@](CO)([NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000706828387 1298223650 /nfs/dbraw/zinc/22/36/50/1298223650.db2.gz BCUSHLXYCZRWDE-INIZCTEOSA-N 1 0 336.229 3.152 20 10 EGCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1c(O)cccc1Br ZINC000707130996 1298225893 /nfs/dbraw/zinc/22/58/93/1298225893.db2.gz ZRHOGWIAKZADSD-SQXIKUFJSA-N 1 0 338.245 3.010 20 10 EGCDRO C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708158708 1298238519 /nfs/dbraw/zinc/23/85/19/1298238519.db2.gz SXFGLPZAFBXMBR-VIFPVBQESA-N 1 0 335.673 3.238 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000724951454 1298351622 /nfs/dbraw/zinc/35/16/22/1298351622.db2.gz CHPBFYFGHCRBHS-OLZOCXBDSA-N 1 0 336.432 3.061 20 10 EGCDRO CN(C)C(=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000725846828 1298374018 /nfs/dbraw/zinc/37/40/18/1298374018.db2.gz TXBBDTYMMAXTAR-INIZCTEOSA-N 1 0 332.831 3.355 20 10 EGCDRO CCOc1cccc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)c1O ZINC000725849623 1298375149 /nfs/dbraw/zinc/37/51/49/1298375149.db2.gz OBTLMWHBQOZLCH-UHFFFAOYSA-N 1 0 334.803 3.173 20 10 EGCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000746172101 1298548650 /nfs/dbraw/zinc/54/86/50/1298548650.db2.gz GDMVTGXBMUWUAJ-IAGOWNOFSA-N 1 0 329.488 3.166 20 10 EGCDRO CC(C)[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccc(N(C)C)cc1 ZINC000747524868 1298794433 /nfs/dbraw/zinc/79/44/33/1298794433.db2.gz VDPZXVPWEAIYJX-UHFFFAOYSA-N 1 0 341.455 3.307 20 10 EGCDRO O=C(NCCCSc1nccs1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000747662438 1298820000 /nfs/dbraw/zinc/82/00/00/1298820000.db2.gz YALSVMPDSWOORK-AWEZNQCLSA-N 1 0 339.530 3.149 20 10 EGCDRO COCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000876599897 1298858142 /nfs/dbraw/zinc/85/81/42/1298858142.db2.gz CHHKTORDTWCAOW-UHFFFAOYSA-N 1 0 332.488 3.039 20 10 EGCDRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000747865729 1298875005 /nfs/dbraw/zinc/87/50/05/1298875005.db2.gz MPNIDZFOLICXAI-CYBMUJFWSA-N 1 0 340.423 3.439 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCc3cccc(F)c3)cc2)CC1 ZINC000876900169 1299058056 /nfs/dbraw/zinc/05/80/56/1299058056.db2.gz FOLVVXPVOUKSFG-UHFFFAOYSA-N 1 0 328.431 3.119 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCN(C(C)C)C2=O)cc1 ZINC000748809738 1299084740 /nfs/dbraw/zinc/08/47/40/1299084740.db2.gz JCBJVUGIAMNPEG-LJQANCHMSA-N 1 0 331.504 3.364 20 10 EGCDRO Nc1c(Cl)cccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000876963854 1299089938 /nfs/dbraw/zinc/08/99/38/1299089938.db2.gz ISUFCKPVWFSKLV-UHFFFAOYSA-N 1 0 331.847 3.049 20 10 EGCDRO COc1cccc(C)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000876963554 1299090627 /nfs/dbraw/zinc/09/06/27/1299090627.db2.gz DSGWFJSUBNSQNK-UHFFFAOYSA-N 1 0 326.440 3.130 20 10 EGCDRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C)cc3O)CC2)cc1 ZINC000877005513 1299109827 /nfs/dbraw/zinc/10/98/27/1299109827.db2.gz SEWWQGXAZRIHQI-UHFFFAOYSA-N 1 0 338.451 3.403 20 10 EGCDRO Cc1ccc(C[NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)c(O)c1 ZINC000877081136 1299148190 /nfs/dbraw/zinc/14/81/90/1299148190.db2.gz XODSHXGCSVFXIZ-IBGZPJMESA-N 1 0 338.451 3.024 20 10 EGCDRO Cc1ccc(C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)c(O)c1 ZINC000877115958 1299162532 /nfs/dbraw/zinc/16/25/32/1299162532.db2.gz XWIMOJLQAXFAJS-INIZCTEOSA-N 1 0 325.456 3.411 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCc3cc4ccccc4[nH]3)cc2)CC1 ZINC000877117203 1299164520 /nfs/dbraw/zinc/16/45/20/1299164520.db2.gz OEAKLRKCXFMNFS-UHFFFAOYSA-N 1 0 349.478 3.461 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000877598001 1299423220 /nfs/dbraw/zinc/42/32/20/1299423220.db2.gz FWDDIDRLHMFYNF-OAHLLOKOSA-N 1 0 337.423 3.453 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)cc2)CC1 ZINC000877603360 1299425370 /nfs/dbraw/zinc/42/53/70/1299425370.db2.gz LHXYKOBFCMJOFJ-GHTZIAJQSA-N 1 0 344.499 3.039 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)cc2)CC1 ZINC000877603943 1299425397 /nfs/dbraw/zinc/42/53/97/1299425397.db2.gz FWEXUEQSFVQVDN-LJQANCHMSA-N 1 0 337.467 3.032 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCCOC(F)(F)F)CC2)cc1 ZINC000877984276 1299687084 /nfs/dbraw/zinc/68/70/84/1299687084.db2.gz FKNSVXLWSZOPHR-UHFFFAOYSA-N 1 0 332.366 3.134 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCO1 ZINC000753663986 1300001557 /nfs/dbraw/zinc/00/15/57/1300001557.db2.gz NZDFWLYCVXZDNV-VBQJREDUSA-N 1 0 340.414 3.414 20 10 EGCDRO CCC(CC)(CO)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000753850872 1300031146 /nfs/dbraw/zinc/03/11/46/1300031146.db2.gz PCXADBDIYAGRMF-UHFFFAOYSA-N 1 0 349.475 3.473 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000754660483 1300185557 /nfs/dbraw/zinc/18/55/57/1300185557.db2.gz VANSVJIRHMELDZ-OAHLLOKOSA-N 1 0 345.512 3.432 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000754738490 1300206002 /nfs/dbraw/zinc/20/60/02/1300206002.db2.gz DECUQTXWFZBHOC-MRXNPFEDSA-N 1 0 334.460 3.450 20 10 EGCDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cc1 ZINC000756397550 1300483030 /nfs/dbraw/zinc/48/30/30/1300483030.db2.gz UPGWXQXKNUPPMZ-AWEZNQCLSA-N 1 0 338.451 3.481 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)c2c1c(F)ccc2O ZINC000756402829 1300484402 /nfs/dbraw/zinc/48/44/02/1300484402.db2.gz ZAPFVGVPWFIFKW-XHDPSFHLSA-N 1 0 332.419 3.070 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2)c2c1c(F)ccc2O ZINC000756398659 1300484701 /nfs/dbraw/zinc/48/47/01/1300484701.db2.gz XNKFEBCRRSPJQF-WWGRRREGSA-N 1 0 331.387 3.109 20 10 EGCDRO COCCOc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000756431563 1300489844 /nfs/dbraw/zinc/48/98/44/1300489844.db2.gz NNKOBBYPAWLTQW-CQSZACIVSA-N 1 0 331.412 3.277 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756432669 1300489864 /nfs/dbraw/zinc/48/98/64/1300489864.db2.gz LBVBIDGMJRTHNB-XJKSGUPXSA-N 1 0 342.414 3.328 20 10 EGCDRO COCCOc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000756431561 1300490250 /nfs/dbraw/zinc/49/02/50/1300490250.db2.gz NNKOBBYPAWLTQW-AWEZNQCLSA-N 1 0 331.412 3.277 20 10 EGCDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756458929 1300497558 /nfs/dbraw/zinc/49/75/58/1300497558.db2.gz LOCODJKLTLMXSY-GOEBONIOSA-N 1 0 333.403 3.239 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)c1 ZINC000756480590 1300502068 /nfs/dbraw/zinc/50/20/68/1300502068.db2.gz SKYDOZOWJHJLTA-CYBMUJFWSA-N 1 0 332.831 3.435 20 10 EGCDRO COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2)c1 ZINC000756538694 1300517842 /nfs/dbraw/zinc/51/78/42/1300517842.db2.gz FABPPKXGVZXCCI-HIFRSBDPSA-N 1 0 330.403 3.469 20 10 EGCDRO COc1cccc([C@H](O)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756564272 1300523041 /nfs/dbraw/zinc/52/30/41/1300523041.db2.gz RSGRLCZZJCGILA-XQAQDONZSA-N 1 0 331.387 3.411 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc(Br)ccc1O ZINC000756609966 1300531459 /nfs/dbraw/zinc/53/14/59/1300531459.db2.gz GRGBTDPVZHKHOR-GMXVVIOVSA-N 1 0 327.266 3.288 20 10 EGCDRO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(Br)cc1O ZINC000756619255 1300533620 /nfs/dbraw/zinc/53/36/20/1300533620.db2.gz XCTZKMZKXRGIDO-NEPJUHHUSA-N 1 0 327.266 3.290 20 10 EGCDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Br)ccc1O ZINC000756629572 1300536091 /nfs/dbraw/zinc/53/60/91/1300536091.db2.gz PZAAJPAEHRWURE-NEPJUHHUSA-N 1 0 327.266 3.147 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1C ZINC000756658491 1300542358 /nfs/dbraw/zinc/54/23/58/1300542358.db2.gz KBTVNPOELWVOPW-DOTOQJQBSA-N 1 0 330.472 3.451 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000756777343 1300565371 /nfs/dbraw/zinc/56/53/71/1300565371.db2.gz IBUYAWULRHLXOC-YWSWHFDRSA-N 1 0 325.499 3.431 20 10 EGCDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000758578176 1300914545 /nfs/dbraw/zinc/91/45/45/1300914545.db2.gz GSGYOSCFRVKMSK-OAHLLOKOSA-N 1 0 335.448 3.083 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000759644971 1301135490 /nfs/dbraw/zinc/13/54/90/1301135490.db2.gz WKKDPZRFTIWVKE-KRWDZBQOSA-N 1 0 331.504 3.366 20 10 EGCDRO C[C@H](NC(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccc(N(C)C)cc1 ZINC000880601205 1301178767 /nfs/dbraw/zinc/17/87/67/1301178767.db2.gz PCTVKGPXAOAMII-AWEZNQCLSA-N 1 0 341.459 3.092 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000760040444 1301212330 /nfs/dbraw/zinc/21/23/30/1301212330.db2.gz KDMIERVLUACQOB-GMVOTWDCSA-N 1 0 345.414 3.357 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000760040442 1301212487 /nfs/dbraw/zinc/21/24/87/1301212487.db2.gz KDMIERVLUACQOB-CYFNAFFESA-N 1 0 345.414 3.357 20 10 EGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@@H](C2CC2)CC1=O ZINC000762486556 1301689238 /nfs/dbraw/zinc/68/92/38/1301689238.db2.gz FHIIVBKGCCXVDH-SFHVURJKSA-N 1 0 329.488 3.179 20 10 EGCDRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000763559565 1301924033 /nfs/dbraw/zinc/92/40/33/1301924033.db2.gz UGAZMEUJPSLABE-AUUYWEPGSA-N 1 0 333.472 3.099 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC000764742952 1302126536 /nfs/dbraw/zinc/12/65/36/1302126536.db2.gz LJPIRTOOGBIWIC-XLIONFOSSA-N 1 0 333.520 3.150 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(N(C)C)cc1 ZINC000764807260 1302139711 /nfs/dbraw/zinc/13/97/11/1302139711.db2.gz DDSVTHYZFHSONI-AZUAARDMSA-N 1 0 328.456 3.233 20 10 EGCDRO Cc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cn1 ZINC000764886665 1302159531 /nfs/dbraw/zinc/15/95/31/1302159531.db2.gz RTXWYLZLQDYJND-RIYZIHGNSA-N 1 0 349.525 3.179 20 10 EGCDRO COCCC1([NH2+]Cc2cc(Br)cc(F)c2[O-])CCC1 ZINC000883108332 1302253615 /nfs/dbraw/zinc/25/36/15/1302253615.db2.gz DNLZZHSYBSRBEA-UHFFFAOYSA-N 1 0 332.213 3.343 20 10 EGCDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000765861882 1302342233 /nfs/dbraw/zinc/34/22/33/1302342233.db2.gz TWBIAAKWZPGVAS-MRXNPFEDSA-N 1 0 333.520 3.293 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000766435851 1302451912 /nfs/dbraw/zinc/45/19/12/1302451912.db2.gz AQTRTDRWEYRMJM-APWZRJJASA-N 1 0 329.488 3.338 20 10 EGCDRO CCOCc1cc(C[NH2+]CCN2CCCC(C)(C)C2)ccc1OC ZINC000767738942 1302753649 /nfs/dbraw/zinc/75/36/49/1302753649.db2.gz OUSOUMGYEZATAQ-UHFFFAOYSA-N 1 0 334.504 3.443 20 10 EGCDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000768341332 1302882634 /nfs/dbraw/zinc/88/26/34/1302882634.db2.gz GXPPNVHDGFVCKU-QGZVFWFLSA-N 1 0 333.476 3.243 20 10 EGCDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439980 1302901007 /nfs/dbraw/zinc/90/10/07/1302901007.db2.gz MNOKVRKXBIBUKJ-KRWDZBQOSA-N 1 0 333.815 3.494 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1)[C@H](O)CO2 ZINC000768442438 1302903162 /nfs/dbraw/zinc/90/31/62/1302903162.db2.gz WBINOIYJAFWCSY-VQIMIIECSA-N 1 0 325.408 3.025 20 10 EGCDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768447895 1302905779 /nfs/dbraw/zinc/90/57/79/1302905779.db2.gz RGIOVUAWEDQXIN-MUKKUYKPSA-N 1 0 325.408 3.196 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCN1CC(F)(F)F ZINC000768466258 1302913781 /nfs/dbraw/zinc/91/37/81/1302913781.db2.gz WZOGYXQHUPGPFI-ZDUSSCGKSA-N 1 0 342.405 3.339 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532726 1302927334 /nfs/dbraw/zinc/92/73/34/1302927334.db2.gz ORQMFKFGXNJSLG-MRXNPFEDSA-N 1 0 347.377 3.316 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000769145235 1303056528 /nfs/dbraw/zinc/05/65/28/1303056528.db2.gz MULDLRSYNLPTJL-CABCVRRESA-N 1 0 331.485 3.320 20 10 EGCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccccc1C(F)(F)F ZINC000769419240 1303109657 /nfs/dbraw/zinc/10/96/57/1303109657.db2.gz MBKLPHKXZZRHPV-CYBMUJFWSA-N 1 0 339.357 3.352 20 10 EGCDRO COc1cccc(O)c1CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000769497777 1303126292 /nfs/dbraw/zinc/12/62/92/1303126292.db2.gz AQRBWOGPATWRGI-QGZVFWFLSA-N 1 0 326.440 3.107 20 10 EGCDRO CCN(C[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C1)CC(F)(F)F ZINC000769517195 1303134907 /nfs/dbraw/zinc/13/49/07/1303134907.db2.gz ZWCFMIDFIAGNEU-ZDUSSCGKSA-N 1 0 346.393 3.107 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769710793 1303162989 /nfs/dbraw/zinc/16/29/89/1303162989.db2.gz PIFOMEHGLLURDX-ZBFHGGJFSA-N 1 0 333.432 3.242 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000770380194 1303258346 /nfs/dbraw/zinc/25/83/46/1303258346.db2.gz MIYZXMIWCBUONK-HXUWFJFHSA-N 1 0 337.467 3.033 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1c([O-])cccc1F ZINC000886518671 1303483937 /nfs/dbraw/zinc/48/39/37/1303483937.db2.gz CAKROVIYXCNWKT-CQSZACIVSA-N 1 0 332.419 3.323 20 10 EGCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773132515 1303631272 /nfs/dbraw/zinc/63/12/72/1303631272.db2.gz OOXHSHGNANMSSI-ATZDWAIDSA-N 1 0 329.488 3.242 20 10 EGCDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000773371406 1303669715 /nfs/dbraw/zinc/66/97/15/1303669715.db2.gz KAGHMOWUWUNOPL-SJORKVTESA-N 1 0 346.519 3.233 20 10 EGCDRO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000773623299 1303715738 /nfs/dbraw/zinc/71/57/38/1303715738.db2.gz GYMSXUJQXDNROX-QGZVFWFLSA-N 1 0 346.519 3.235 20 10 EGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000773809331 1303740730 /nfs/dbraw/zinc/74/07/30/1303740730.db2.gz BHNFMLJUTVRQIQ-WMZHIEFXSA-N 1 0 330.497 3.352 20 10 EGCDRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774481214 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AXVATXLBLNPQBF-HNNXBMFYSA-N 1 0 343.818 3.262 20 10 EGCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000775539470 1303980427 /nfs/dbraw/zinc/98/04/27/1303980427.db2.gz DOKJUMZZYLSYQC-ZFWWWQNUSA-N 1 0 341.835 3.008 20 10 EGCDRO COc1cc(O)c(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OC ZINC000775658878 1304006701 /nfs/dbraw/zinc/00/67/01/1304006701.db2.gz RFNVMRWRIJPAQT-HLLBOEOZSA-N 1 0 348.487 3.247 20 10 EGCDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776217960 1304115911 /nfs/dbraw/zinc/11/59/11/1304115911.db2.gz CSYMZIQHCGAQCI-IINYFYTJSA-N 1 0 330.266 3.350 20 10 EGCDRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000776242878 1304119985 /nfs/dbraw/zinc/11/99/85/1304119985.db2.gz BJNAUAGUAFYLTR-LPHOPBHVSA-N 1 0 344.503 3.083 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000776253469 1304121406 /nfs/dbraw/zinc/12/14/06/1304121406.db2.gz QNNOEQRLTFKZHF-UHFFFAOYSA-N 1 0 344.430 3.269 20 10 EGCDRO 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NPTDPOVUTQXPTR-HZPDHXFCSA-N 1 0 337.467 3.209 20 10 EGCDRO COC(=O)c1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000781896446 1304887433 /nfs/dbraw/zinc/88/74/33/1304887433.db2.gz KWLMGSFTCRZEKU-UHFFFAOYSA-N 1 0 327.428 3.032 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)C2CCC=CCC2)[NH+](C)C)cc1 ZINC000891245900 1304999012 /nfs/dbraw/zinc/99/90/12/1304999012.db2.gz KCYMVGYWSHWOHO-LJQANCHMSA-N 1 0 329.488 3.218 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)CCCC(F)(F)F)[NH+](C)C)cc1 ZINC000891247625 1304999082 /nfs/dbraw/zinc/99/90/82/1304999082.db2.gz IKTUKZKOLAXUPP-OAHLLOKOSA-N 1 0 345.409 3.204 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)CC2CCSCC2)[NH+](C)C)cc1 ZINC000891253049 1305000678 /nfs/dbraw/zinc/00/06/78/1305000678.db2.gz PRDXNAFSNDPRQS-SFHVURJKSA-N 1 0 349.544 3.005 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(O)c1OC ZINC000891400554 1305042359 /nfs/dbraw/zinc/04/23/59/1305042359.db2.gz WJGNHEJJLRRAKU-UHFFFAOYSA-N 1 0 330.428 3.107 20 10 EGCDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C2CC2)n1 ZINC000891467130 1305057743 /nfs/dbraw/zinc/05/77/43/1305057743.db2.gz DCSCLEBMRXDWHB-SFHVURJKSA-N 1 0 341.455 3.184 20 10 EGCDRO CC[N@H+](CC[C@@H]1CCOC1)Cc1cc(Br)ccc1O ZINC000783569899 1305109801 /nfs/dbraw/zinc/10/98/01/1305109801.db2.gz AKVICAHLCFMTEN-GFCCVEGCSA-N 1 0 328.250 3.403 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c1 ZINC000783718005 1305131112 /nfs/dbraw/zinc/13/11/12/1305131112.db2.gz NBTWISAOBYNXIP-HNNXBMFYSA-N 1 0 333.350 3.334 20 10 EGCDRO COc1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000891917869 1305208822 /nfs/dbraw/zinc/20/88/22/1305208822.db2.gz MCHSNZLLNPZFSH-GOSISDBHSA-N 1 0 343.423 3.373 20 10 EGCDRO COC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H](C)O1 ZINC000784666845 1305269730 /nfs/dbraw/zinc/26/97/30/1305269730.db2.gz AUUBZXJQASEWRN-DNVCBOLYSA-N 1 0 327.424 3.295 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccccc2OC(C)C)c(O)c1OC ZINC000892649688 1305488754 /nfs/dbraw/zinc/48/87/54/1305488754.db2.gz BJAPMWLNYXJUPB-UHFFFAOYSA-N 1 0 331.412 3.486 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(O)c1OC ZINC000892879932 1305591261 /nfs/dbraw/zinc/59/12/61/1305591261.db2.gz UKXGYVHYNBWEEX-AWEZNQCLSA-N 1 0 333.359 3.162 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](c2cccnc2)C(C)C)c(O)c1OC ZINC000893101794 1305709139 /nfs/dbraw/zinc/70/91/39/1305709139.db2.gz BPZPOSDETMMPLE-INIZCTEOSA-N 1 0 330.428 3.334 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)c(O)c1OC ZINC000893302672 1305814542 /nfs/dbraw/zinc/81/45/42/1305814542.db2.gz GXYDYMXPEZAFIA-XIKOKIGWSA-N 1 0 349.402 3.414 20 10 EGCDRO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000893403157 1305874143 /nfs/dbraw/zinc/87/41/43/1305874143.db2.gz RJGUVFDDSBDJNK-WBVHZDCISA-N 1 0 337.460 3.483 20 10 EGCDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C2 ZINC000893520262 1305946792 /nfs/dbraw/zinc/94/67/92/1305946792.db2.gz PZOGHLZYHBYAIL-INIZCTEOSA-N 1 0 343.423 3.065 20 10 EGCDRO CN(Cc1cnn(C2CCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000893571153 1305973674 /nfs/dbraw/zinc/97/36/74/1305973674.db2.gz KKNQUBOAFMQQCZ-UHFFFAOYSA-N 1 0 328.460 3.185 20 10 EGCDRO CC[N@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1ccc(N(C)C)cc1 ZINC000788842905 1306027191 /nfs/dbraw/zinc/02/71/91/1306027191.db2.gz KEAVAWSLANZUKG-UHFFFAOYSA-N 1 0 343.471 3.208 20 10 EGCDRO CCO[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000894068167 1306200584 /nfs/dbraw/zinc/20/05/84/1306200584.db2.gz ODYFZISUGDPJCM-KRWDZBQOSA-N 1 0 331.412 3.277 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)c(O)c1OC ZINC000894119483 1306229459 /nfs/dbraw/zinc/22/94/59/1306229459.db2.gz GRIIYGOAFDRHGR-ROUUACIJSA-N 1 0 345.439 3.257 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC2(CCOCC2)O1 ZINC000790384524 1306314148 /nfs/dbraw/zinc/31/41/48/1306314148.db2.gz FCRPYCDVZOIFLO-CQSZACIVSA-N 1 0 349.471 3.165 20 10 EGCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H](C)O2 ZINC000790395073 1306314867 /nfs/dbraw/zinc/31/48/67/1306314867.db2.gz BGTZGWPMJBLJAA-JZKQVHKSSA-N 1 0 349.471 3.164 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1O ZINC000894291311 1306324594 /nfs/dbraw/zinc/32/45/94/1306324594.db2.gz KFBXPFHJVQBJGZ-AWEZNQCLSA-N 1 0 339.794 3.325 20 10 EGCDRO CC[C@@]1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1 ZINC000791003819 1308908041 /nfs/dbraw/zinc/90/80/41/1308908041.db2.gz IUQPHLTZGFBTJA-GOSISDBHSA-N 1 0 333.432 3.244 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c1O ZINC000894478075 1308913230 /nfs/dbraw/zinc/91/32/30/1308913230.db2.gz ASJDNBOMLNGHHG-BEFAXECRSA-N 1 0 328.456 3.490 20 10 EGCDRO COc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)c(O)c1OC ZINC000894631983 1308990104 /nfs/dbraw/zinc/99/01/04/1308990104.db2.gz LQBHBVPTVYAMDD-UHFFFAOYSA-N 1 0 327.302 3.117 20 10 EGCDRO COC(=O)[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)CC(C)C ZINC000894791849 1309072231 /nfs/dbraw/zinc/07/22/31/1309072231.db2.gz YDHXOPHDSLRVCB-INIZCTEOSA-N 1 0 348.487 3.089 20 10 EGCDRO COCCn1c(C)c(C)c2cc(C(=O)OCCC[NH+](C)C)ccc21 ZINC000791843156 1309076179 /nfs/dbraw/zinc/07/61/79/1309076179.db2.gz RALNDGNXUKYPEI-UHFFFAOYSA-N 1 0 332.444 3.013 20 10 EGCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000792934507 1309263664 /nfs/dbraw/zinc/26/36/64/1309263664.db2.gz MMMQZGJTRDLGLD-UZLBHIALSA-N 1 0 340.467 3.263 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000792991698 1309278124 /nfs/dbraw/zinc/27/81/24/1309278124.db2.gz ICNAXNRCLFKLLS-SWLSCSKDSA-N 1 0 330.394 3.412 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2COC(C)(C)OC2)c(C(F)(F)F)c1 ZINC000793078282 1309291430 /nfs/dbraw/zinc/29/14/30/1309291430.db2.gz UWUSVQAOCUCUAN-UHFFFAOYSA-N 1 0 332.366 3.013 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(OC(F)F)cn3)cc2)CC1 ZINC000793268464 1309336247 /nfs/dbraw/zinc/33/62/47/1309336247.db2.gz GXJMJIDDVQYYLH-UHFFFAOYSA-N 1 0 348.397 3.047 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC2CCC2)ccc1N1CCCCC1 ZINC000793321919 1309346973 /nfs/dbraw/zinc/34/69/73/1309346973.db2.gz MAFKAAULFZNUFB-QGZVFWFLSA-N 1 0 347.459 3.226 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CF)C2)c1O ZINC000895545076 1309392755 /nfs/dbraw/zinc/39/27/55/1309392755.db2.gz AQFJOPIUURJBIZ-JTQLQIEISA-N 1 0 332.213 3.345 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794378551 1309513914 /nfs/dbraw/zinc/51/39/14/1309513914.db2.gz YHZHXHOFMMGYFN-UHFFFAOYSA-N 1 0 342.439 3.173 20 10 EGCDRO Cc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)c(C)c1 ZINC000794660563 1309566468 /nfs/dbraw/zinc/56/64/68/1309566468.db2.gz GQFGKCKVLAGGLJ-FOIQADDNSA-N 1 0 339.435 3.424 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000794827581 1309603937 /nfs/dbraw/zinc/60/39/37/1309603937.db2.gz KZSQKJGRYDBPKK-GFCCVEGCSA-N 1 0 339.482 3.407 20 10 EGCDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000796452994 1310004325 /nfs/dbraw/zinc/00/43/25/1310004325.db2.gz ALSVAJKQLPXOCI-UHFFFAOYSA-N 1 0 346.393 3.450 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000797132395 1310145100 /nfs/dbraw/zinc/14/51/00/1310145100.db2.gz QFYXCJKHMAZCNN-IQMFZBJNSA-N 1 0 330.497 3.482 20 10 EGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1cnn(C)c1 ZINC000897079964 1310170034 /nfs/dbraw/zinc/17/00/34/1310170034.db2.gz MTTBELPAAIISAX-OAHLLOKOSA-N 1 0 338.249 3.375 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H]1CCC[NH2+]C1 ZINC000817946944 1319471326 /nfs/dbraw/zinc/47/13/26/1319471326.db2.gz INRZVSAIFOTNLV-GRYCIOLGSA-N 1 0 327.266 3.193 20 10 EGCDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000798265982 1310330512 /nfs/dbraw/zinc/33/05/12/1310330512.db2.gz LLDNMECZFFOBRU-KRWDZBQOSA-N 1 0 340.471 3.045 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000897451124 1310341464 /nfs/dbraw/zinc/34/14/64/1310341464.db2.gz KVJSQTYKQUJHFM-UHFFFAOYSA-N 1 0 332.488 3.066 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCc3cccnc3C)CC2)cc1 ZINC000898256322 1310650118 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CCOc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c(O)c1 ZINC000810164505 1317966756 /nfs/dbraw/zinc/96/67/56/1317966756.db2.gz DWZMPBKGGFEVRG-QUCCMNQESA-N 1 0 327.424 3.047 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810227678 1317980147 /nfs/dbraw/zinc/98/01/47/1317980147.db2.gz ZTDGCBMQQSIIGX-BXUZGUMPSA-N 1 0 342.361 3.215 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2COc3c(C)cccc3C2)c1O ZINC000811517931 1318193730 /nfs/dbraw/zinc/19/37/30/1318193730.db2.gz DNXASDNVICMCOJ-OAHLLOKOSA-N 1 0 333.815 3.456 20 10 EGCDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1c(O)cccc1OC)C2 ZINC000811519549 1318194745 /nfs/dbraw/zinc/19/47/45/1318194745.db2.gz YJKPIBBPXDKBIS-UHFFFAOYSA-N 1 0 325.408 3.457 20 10 EGCDRO CCC(C)(C)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460233 1318347910 /nfs/dbraw/zinc/34/79/10/1318347910.db2.gz PVUFGNMRRMDTMK-QGZVFWFLSA-N 1 0 334.508 3.185 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c(O)c1 ZINC000812741554 1318447696 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3.073 20 10 EGCDRO Cc1ncccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858519254 1328786622 /nfs/dbraw/zinc/78/66/22/1328786622.db2.gz XQVGLDOVPWBZCK-AWEZNQCLSA-N 1 0 329.419 3.217 20 10 EGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815079180 1318884863 /nfs/dbraw/zinc/88/48/63/1318884863.db2.gz OXGJAZCGUDKODN-KRWDZBQOSA-N 1 0 332.488 3.472 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)cc1 ZINC000815105938 1318894441 /nfs/dbraw/zinc/89/44/41/1318894441.db2.gz MXBWIWYZDLZSFR-LJQANCHMSA-N 1 0 325.456 3.191 20 10 EGCDRO CCc1noc(C)c1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000815145982 1318911861 /nfs/dbraw/zinc/91/18/61/1318911861.db2.gz JWXBFDWCJMKOFY-UHFFFAOYSA-N 1 0 329.444 3.313 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)C2)cc1C ZINC001022484403 1318958837 /nfs/dbraw/zinc/95/88/37/1318958837.db2.gz MZVXAJXXWHBBAD-ASOPQSNTSA-N 1 0 342.483 3.177 20 10 EGCDRO CC1(C)OCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000815573652 1319017212 /nfs/dbraw/zinc/01/72/12/1319017212.db2.gz PONHPZPSJGGDHX-MRXNPFEDSA-N 1 0 340.414 3.414 20 10 EGCDRO Oc1c(C[N@@H+]2CCCN(C[C@@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816484513 1319163478 /nfs/dbraw/zinc/16/34/78/1319163478.db2.gz FLTSOZAPEDBLAQ-IBGZPJMESA-N 1 0 340.467 3.232 20 10 EGCDRO Oc1c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)ccc2ccccc21 ZINC000816557490 1319182750 /nfs/dbraw/zinc/18/27/50/1319182750.db2.gz SDFDPDHLRZONCC-KRWDZBQOSA-N 1 0 327.424 3.363 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c(C(F)(F)F)c1 ZINC000816666237 1319205084 /nfs/dbraw/zinc/20/50/84/1319205084.db2.gz ISFHWHXYMIUXLV-CYBMUJFWSA-N 1 0 330.394 3.366 20 10 EGCDRO CCOC(=O)CC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000914569280 1319346943 /nfs/dbraw/zinc/34/69/43/1319346943.db2.gz BUIZYWIKEVUNQI-UHFFFAOYSA-N 1 0 328.412 3.106 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000817413368 1319353255 /nfs/dbraw/zinc/35/32/55/1319353255.db2.gz XBWOKAPKQGLMFD-KBPBESRZSA-N 1 0 335.444 3.343 20 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/nfs/dbraw/zinc/46/91/30/1319469130.db2.gz GKCFSBJEYCTBAJ-HZPDHXFCSA-N 1 0 330.501 3.185 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000817941565 1319470268 /nfs/dbraw/zinc/47/02/68/1319470268.db2.gz KOWHVWMGBKNAOV-QZTJIDSGSA-N 1 0 331.410 3.308 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)ccc1O ZINC000817945773 1319471624 /nfs/dbraw/zinc/47/16/24/1319471624.db2.gz LPYWTOOHSBUAEI-RISCZKNCSA-N 1 0 327.266 3.195 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Br)ccc1O ZINC000817946655 1319472334 /nfs/dbraw/zinc/47/23/34/1319472334.db2.gz CJKPMOIWWMFUHC-SRVKXCTJSA-N 1 0 327.266 3.193 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000817970842 1319481367 /nfs/dbraw/zinc/48/13/67/1319481367.db2.gz FZRBBJGATWOOQZ-FXPVBKGRSA-N 1 0 331.229 3.085 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(C)n1-c1ccc(F)cc1 ZINC000818015579 1319491976 /nfs/dbraw/zinc/49/19/76/1319491976.db2.gz UYHYFURPIYBKEC-FQEVSTJZSA-N 1 0 341.430 3.201 20 10 EGCDRO CCc1cnc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000818220631 1319521229 /nfs/dbraw/zinc/52/12/29/1319521229.db2.gz HSLPAWOGUYMBBV-CQSZACIVSA-N 1 0 331.485 3.330 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cccc(CO)c3)C2)cc1 ZINC000818343199 1319531914 /nfs/dbraw/zinc/53/19/14/1319531914.db2.gz ZFMZIIMTBITLRR-FUHWJXTLSA-N 1 0 340.467 3.365 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(F)c1 ZINC000818964311 1319593133 /nfs/dbraw/zinc/59/31/33/1319593133.db2.gz RATGRLGKUQYCFO-IBGZPJMESA-N 1 0 346.471 3.202 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000820503029 1319900231 /nfs/dbraw/zinc/90/02/31/1319900231.db2.gz DQECICIGNSYLJS-LSDHHAIUSA-N 1 0 331.485 3.320 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C(C)(C)F)C2)cc1C ZINC001023803450 1319947628 /nfs/dbraw/zinc/94/76/28/1319947628.db2.gz RPERNHPBDOYKSZ-INIZCTEOSA-N 1 0 336.451 3.080 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)c3ccco3)C2)cc1C ZINC001023811966 1319955960 /nfs/dbraw/zinc/95/59/60/1319955960.db2.gz VINLEHPILWQFPY-QGZVFWFLSA-N 1 0 342.439 3.239 20 10 EGCDRO OCC[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1O ZINC000824484546 1320261166 /nfs/dbraw/zinc/26/11/66/1320261166.db2.gz LHJBPBZKDIXKSF-UHFFFAOYSA-N 1 0 336.229 3.149 20 10 EGCDRO Cc1cc(O)c(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1Cl ZINC000824542025 1320263963 /nfs/dbraw/zinc/26/39/63/1320263963.db2.gz NWXPLHPVRHWZPW-UHFFFAOYSA-N 1 0 332.831 3.232 20 10 EGCDRO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824615743 1320270495 /nfs/dbraw/zinc/27/04/95/1320270495.db2.gz LRVGBQGFWWSDEN-INIZCTEOSA-N 1 0 328.412 3.208 20 10 EGCDRO CC[C@@](C)(C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000824743632 1320281613 /nfs/dbraw/zinc/28/16/13/1320281613.db2.gz JLVWXRJWCZADBD-AWEZNQCLSA-N 1 0 332.238 3.068 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c1 ZINC000824739299 1320282113 /nfs/dbraw/zinc/28/21/13/1320282113.db2.gz XWTCFVXNPUUHEU-UHFFFAOYSA-N 1 0 342.443 3.253 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC000824844839 1320290748 /nfs/dbraw/zinc/29/07/48/1320290748.db2.gz DORWRKCFTVMDQY-ZBFHGGJFSA-N 1 0 329.868 3.433 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]([C@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000824847511 1320291263 /nfs/dbraw/zinc/29/12/63/1320291263.db2.gz ZXHWXXXJHAQRLC-RTWAWAEBSA-N 1 0 344.499 3.051 20 10 EGCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC000824856441 1320291626 /nfs/dbraw/zinc/29/16/26/1320291626.db2.gz XHZDYEPJEPVXDG-SJORKVTESA-N 1 0 339.863 3.106 20 10 EGCDRO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@H](C)C2)c1O ZINC000824977453 1320300807 /nfs/dbraw/zinc/30/08/07/1320300807.db2.gz MTMSTMAKOHBAOE-KRWDZBQOSA-N 1 0 340.467 3.355 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1 ZINC000825118099 1320312263 /nfs/dbraw/zinc/31/22/63/1320312263.db2.gz OPLNYHBAOOGLIK-CEXWTWQISA-N 1 0 342.487 3.236 20 10 EGCDRO COC1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825292595 1320324699 /nfs/dbraw/zinc/32/46/99/1320324699.db2.gz YWPZXDWITBNFLK-UHFFFAOYSA-N 1 0 340.895 3.333 20 10 EGCDRO CCOc1cccc(C[N@H+](CCO)Cc2cc(OCC)ccc2O)c1 ZINC000825299141 1320325010 /nfs/dbraw/zinc/32/50/10/1320325010.db2.gz DJYLXDDLHWJDKK-UHFFFAOYSA-N 1 0 345.439 3.184 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@H]2CCCO[C@H]21 ZINC000825320994 1320327360 /nfs/dbraw/zinc/32/73/60/1320327360.db2.gz RFRLKJVELVVUMG-BPLDGKMQSA-N 1 0 340.261 3.448 20 10 EGCDRO COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000825753672 1320360298 /nfs/dbraw/zinc/36/02/98/1320360298.db2.gz UBGNUFXFDJWSLW-AWEZNQCLSA-N 1 0 331.412 3.104 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1Cl ZINC000825803525 1320363263 /nfs/dbraw/zinc/36/32/63/1320363263.db2.gz AHHGWQFOLKIDMD-SUMWQHHRSA-N 1 0 339.863 3.011 20 10 EGCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(Br)cc1O ZINC000825885412 1320368742 /nfs/dbraw/zinc/36/87/42/1320368742.db2.gz FYTXGAILSZIIHD-WFASDCNBSA-N 1 0 339.277 3.213 20 10 EGCDRO Cc1cc(C[N@H+](C)CC(=O)N2CCCC2)ccc1N1CCCCC1 ZINC000827280306 1320440702 /nfs/dbraw/zinc/44/07/02/1320440702.db2.gz BXXVUALJHFITEW-UHFFFAOYSA-N 1 0 329.488 3.040 20 10 EGCDRO CC/C(C)=C\C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311353 1320443149 /nfs/dbraw/zinc/44/31/49/1320443149.db2.gz YWADCTHSTQTSAX-OVHOFWQVSA-N 1 0 336.863 3.483 20 10 EGCDRO Cc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000836854889 1320542582 /nfs/dbraw/zinc/54/25/82/1320542582.db2.gz AZOXFYBXMCTGLX-UHFFFAOYSA-N 1 0 342.487 3.339 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCCNC2=O)cc1 ZINC000839195010 1320892041 /nfs/dbraw/zinc/89/20/41/1320892041.db2.gz DZKIJRINWTZDEU-INIZCTEOSA-N 1 0 343.496 3.000 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Br)cn2)c1 ZINC000839538371 1320933858 /nfs/dbraw/zinc/93/38/58/1320933858.db2.gz BMXHEIBHVWQFAA-SNVBAGLBSA-N 1 0 337.217 3.409 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(O)c1 ZINC000840759865 1321142631 /nfs/dbraw/zinc/14/26/31/1321142631.db2.gz OXNGFVNVFSCJRR-ZDUSSCGKSA-N 1 0 348.393 3.358 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000840828013 1321157993 /nfs/dbraw/zinc/15/79/93/1321157993.db2.gz OASKPNDXSXQFKJ-AEFFLSMTSA-N 1 0 329.488 3.244 20 10 EGCDRO NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000840862948 1321164466 /nfs/dbraw/zinc/16/44/66/1321164466.db2.gz CSQSBDRZAGNXOF-CVEARBPZSA-N 1 0 326.396 3.090 20 10 EGCDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000840905377 1321174117 /nfs/dbraw/zinc/17/41/17/1321174117.db2.gz QFIPYVVNIFGSKL-HNNXBMFYSA-N 1 0 348.397 3.145 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000840913709 1321176414 /nfs/dbraw/zinc/17/64/14/1321176414.db2.gz IIFYDUNLGJRVGV-LJQANCHMSA-N 1 0 329.488 3.038 20 10 EGCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000840914584 1321176447 /nfs/dbraw/zinc/17/64/47/1321176447.db2.gz CIMXYUPLEZYNQE-FQEVSTJZSA-N 1 0 328.456 3.235 20 10 EGCDRO CCOc1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c(O)c1 ZINC000840961461 1321187625 /nfs/dbraw/zinc/18/76/25/1321187625.db2.gz BGJZYGARUWPJIH-UHFFFAOYSA-N 1 0 331.456 3.068 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1O ZINC000840961815 1321187795 /nfs/dbraw/zinc/18/77/95/1321187795.db2.gz ZJVPTABFTGVZDP-MRXNPFEDSA-N 1 0 344.411 3.001 20 10 EGCDRO COC(=O)c1coc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840975075 1321192175 /nfs/dbraw/zinc/19/21/75/1321192175.db2.gz CHLSFZNADPPUDJ-CQSZACIVSA-N 1 0 330.428 3.161 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000840975267 1321192494 /nfs/dbraw/zinc/19/24/94/1321192494.db2.gz FBPQXBJHKYPNLE-ZDUSSCGKSA-N 1 0 336.430 3.453 20 10 EGCDRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841004250 1321197752 /nfs/dbraw/zinc/19/77/52/1321197752.db2.gz DDEMCMBJBBOTDW-QGZVFWFLSA-N 1 0 339.399 3.212 20 10 EGCDRO Nc1ccc(CC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000841035185 1321205228 /nfs/dbraw/zinc/20/52/28/1321205228.db2.gz GEIFQCRCGIFLAK-HXUWFJFHSA-N 1 0 326.440 3.159 20 10 EGCDRO CCOc1cc(C[NH2+]CCc2ccc(N)cc2)ccc1OC(=O)CC ZINC000841038636 1321206832 /nfs/dbraw/zinc/20/68/32/1321206832.db2.gz MQHLLFKGXBPJAF-UHFFFAOYSA-N 1 0 342.439 3.315 20 10 EGCDRO C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(N(C)C)cc1 ZINC000841303359 1321250522 /nfs/dbraw/zinc/25/05/22/1321250522.db2.gz CDNUREJFPKOGQH-CQSZACIVSA-N 1 0 338.455 3.281 20 10 EGCDRO Nc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000841302010 1321250691 /nfs/dbraw/zinc/25/06/91/1321250691.db2.gz ICTVQSTWBVWKOB-UHFFFAOYSA-N 1 0 338.455 3.097 20 10 EGCDRO COc1cc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c(O)cc1C ZINC000841687712 1321296589 /nfs/dbraw/zinc/29/65/89/1321296589.db2.gz UDIKPMDOMNGLSE-UHFFFAOYSA-N 1 0 333.350 3.253 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841747569 1321305822 /nfs/dbraw/zinc/30/58/22/1321305822.db2.gz GITBBRUUPNLUJT-GFCCVEGCSA-N 1 0 349.814 3.448 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1C(=O)N(C)C ZINC000841829182 1321320530 /nfs/dbraw/zinc/32/05/30/1321320530.db2.gz FXTYBEDKAVVJTL-UHFFFAOYSA-N 1 0 339.483 3.477 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841973603 1321332931 /nfs/dbraw/zinc/33/29/31/1321332931.db2.gz WXPAKYPUSZHFLH-FQEVSTJZSA-N 1 0 346.519 3.062 20 10 EGCDRO CCCC(=[NH2+])NOC=C(O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000842029012 1321337277 /nfs/dbraw/zinc/33/72/77/1321337277.db2.gz VFOUKIXTAXUYNO-UHFFFAOYSA-N 1 0 332.379 3.110 20 10 EGCDRO CC[NH2+]CC1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000843055494 1321463313 /nfs/dbraw/zinc/46/33/13/1321463313.db2.gz KQKWQBKSWYPTHC-UHFFFAOYSA-N 1 0 341.293 3.285 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000843059510 1321464315 /nfs/dbraw/zinc/46/43/15/1321464315.db2.gz NOMSNVMKQIREFR-LNSITVRQSA-N 1 0 339.277 3.022 20 10 EGCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125918 1321474502 /nfs/dbraw/zinc/47/45/02/1321474502.db2.gz CLNAMJLPXAQSEC-CHWSQXEVSA-N 1 0 326.843 3.396 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(F)cc1Cl ZINC000843349928 1321503470 /nfs/dbraw/zinc/50/34/70/1321503470.db2.gz MUUORPGICVGYPH-UHFFFAOYSA-N 1 0 347.821 3.329 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CCCc3cc(C[NH3+])ccc32)c1O ZINC000843349652 1321503473 /nfs/dbraw/zinc/50/34/73/1321503473.db2.gz HQDWFTDZHBLKCZ-UHFFFAOYSA-N 1 0 328.387 3.145 20 10 EGCDRO C[C@@H](c1ncc(Br)cn1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350835 1321504278 /nfs/dbraw/zinc/50/42/78/1321504278.db2.gz WFKLVRJRVHRBDA-NSHDSACASA-N 1 0 347.260 3.212 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000843487169 1321522535 /nfs/dbraw/zinc/52/25/35/1321522535.db2.gz AIJKPVSDMMEPRI-LJQANCHMSA-N 1 0 339.483 3.061 20 10 EGCDRO C[NH+](C)CC[C@H](NC(=O)NCc1cc(Cl)ccc1O)C(C)(C)C ZINC000844994452 1321666523 /nfs/dbraw/zinc/66/65/23/1321666523.db2.gz LYTHGGFJALNGSX-HNNXBMFYSA-N 1 0 341.883 3.211 20 10 EGCDRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000845948978 1321757878 /nfs/dbraw/zinc/75/78/78/1321757878.db2.gz FBLHZTDABLEMRR-IMFGXOCKSA-N 1 0 343.515 3.447 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c1O ZINC000846137861 1321770322 /nfs/dbraw/zinc/77/03/22/1321770322.db2.gz RQUCUMMVSUIVBC-MRXNPFEDSA-N 1 0 348.487 3.087 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000846146043 1321771577 /nfs/dbraw/zinc/77/15/77/1321771577.db2.gz PHZGCEUXWDORIH-LLVKDONJSA-N 1 0 332.366 3.078 20 10 EGCDRO COc1ccc(COCC[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846147182 1321772283 /nfs/dbraw/zinc/77/22/83/1321772283.db2.gz NRUUEUUTZOESHB-AWEZNQCLSA-N 1 0 331.412 3.277 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccnc2OCC(F)F)c1O ZINC000846157613 1321772486 /nfs/dbraw/zinc/77/24/86/1321772486.db2.gz MXHYEQQVLLAEGZ-NSHDSACASA-N 1 0 338.354 3.291 20 10 EGCDRO COc1cc(NCC[NH2+][C@H](C)c2cccc(OC)c2O)cc(OC)c1 ZINC000846157992 1321772517 /nfs/dbraw/zinc/77/25/17/1321772517.db2.gz RDATXMBWHAJJCQ-CYBMUJFWSA-N 1 0 346.427 3.181 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1O ZINC000846171473 1321774103 /nfs/dbraw/zinc/77/41/03/1321774103.db2.gz SVUDRCXIXARVHY-UONOGXRCSA-N 1 0 330.403 3.469 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1O ZINC000846174816 1321774603 /nfs/dbraw/zinc/77/46/03/1321774603.db2.gz ZGUZZSOLAHZBAN-ZAMGYDSWSA-N 1 0 333.453 3.130 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC/C=C\c2ccccc2)cc1 ZINC000846662961 1321799554 /nfs/dbraw/zinc/79/95/54/1321799554.db2.gz CIQOFPKDGVLFQP-GFWYJJLOSA-N 1 0 337.467 3.362 20 10 EGCDRO CCC[N@H+](CC(=O)OCC)Cc1c(O)ccc2ccc(OC)cc21 ZINC000918755005 1321991124 /nfs/dbraw/zinc/99/11/24/1321991124.db2.gz AARYEFHAURFIAI-UHFFFAOYSA-N 1 0 331.412 3.329 20 10 EGCDRO CCc1cccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)c1O ZINC000848892043 1322031315 /nfs/dbraw/zinc/03/13/15/1322031315.db2.gz JABZLNVYTFORTB-UHFFFAOYSA-N 1 0 325.456 3.319 20 10 EGCDRO CCOc1cccc(C[N@H+](CCO)Cc2cccc(CC)c2O)c1 ZINC000848915493 1322044203 /nfs/dbraw/zinc/04/42/03/1322044203.db2.gz WTTRONDWUIWNEF-UHFFFAOYSA-N 1 0 329.440 3.348 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN(CCc3cccs3)CC2)cc1C ZINC000919952525 1322120905 /nfs/dbraw/zinc/12/09/05/1322120905.db2.gz VKFHOMIWGACNOG-UHFFFAOYSA-N 1 0 330.497 3.431 20 10 EGCDRO COc1cc(C[NH2+]CCCCn2ccnc2)c(O)c(C(C)(C)C)c1 ZINC000850063815 1322189139 /nfs/dbraw/zinc/18/91/39/1322189139.db2.gz VIIJIGNRMRECPA-UHFFFAOYSA-N 1 0 331.460 3.465 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1F ZINC000850099463 1322192446 /nfs/dbraw/zinc/19/24/46/1322192446.db2.gz LSGMJZSECOIWOT-GOSISDBHSA-N 1 0 344.430 3.349 20 10 EGCDRO COC[C@H](C)Oc1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000850137919 1322197394 /nfs/dbraw/zinc/19/73/94/1322197394.db2.gz YQTLYRVXAOVHOU-AWEZNQCLSA-N 1 0 331.412 3.104 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](COC)c2cccc(OC)c2)c1O ZINC000850362369 1322234487 /nfs/dbraw/zinc/23/44/87/1322234487.db2.gz MDVOJVKBVDWKBP-QGZVFWFLSA-N 1 0 331.412 3.277 20 10 EGCDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000850555724 1322266056 /nfs/dbraw/zinc/26/60/56/1322266056.db2.gz PTEBXVSTFCJLBV-DGCLKSJQSA-N 1 0 327.266 3.290 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cn1 ZINC000850568144 1322270084 /nfs/dbraw/zinc/27/00/84/1322270084.db2.gz QFOCMJSAEVAOSH-CQSZACIVSA-N 1 0 329.419 3.033 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921976274 1322433507 /nfs/dbraw/zinc/43/35/07/1322433507.db2.gz YBOHAUOOTOQHIU-UHFFFAOYSA-N 1 0 345.464 3.095 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cc(C2CC2)no1)C[C@@H]1CCCO1 ZINC000851841845 1323100159 /nfs/dbraw/zinc/10/01/59/1323100159.db2.gz YIEHDDCCOZRSKK-INIZCTEOSA-N 1 0 328.412 3.439 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ncsc1Br ZINC000852741249 1323234609 /nfs/dbraw/zinc/23/46/09/1323234609.db2.gz OZAVSZZWKKWQOY-UHFFFAOYSA-N 1 0 338.274 3.317 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000852789599 1323241757 /nfs/dbraw/zinc/24/17/57/1323241757.db2.gz HYKKKIPCAHIFCX-UHFFFAOYSA-N 1 0 343.496 3.170 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000852790995 1323242819 /nfs/dbraw/zinc/24/28/19/1323242819.db2.gz WRSGJBFPRJCORC-SFHVURJKSA-N 1 0 329.488 3.023 20 10 EGCDRO CC[C@@H]([NH2+]C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000852883209 1323249516 /nfs/dbraw/zinc/24/95/16/1323249516.db2.gz UVUVSEQQEJSSKX-MAUKXSAKSA-N 1 0 326.440 3.480 20 10 EGCDRO CC[C@H]([NH2+]C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000852883210 1323249967 /nfs/dbraw/zinc/24/99/67/1323249967.db2.gz UVUVSEQQEJSSKX-QAPCUYQASA-N 1 0 326.440 3.480 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C4CCC4)C[C@H]32)cc1C ZINC001026165503 1324634025 /nfs/dbraw/zinc/63/40/25/1324634025.db2.gz FPSDXEYWSBUEJJ-IPMKNSEASA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@]3(C)C=CCC3)C2)cc1C ZINC001027003240 1325142107 /nfs/dbraw/zinc/14/21/07/1325142107.db2.gz OTSBVUPCQXWICG-NQIIRXRSSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC34CCC4)C2)cc1C ZINC001027094026 1325220252 /nfs/dbraw/zinc/22/02/52/1325220252.db2.gz HTRIQCMTLDZHCE-QZTJIDSGSA-N 1 0 342.483 3.132 20 10 EGCDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)c(N(C)C)cc2F)C[C@H]1C ZINC000862249190 1329471117 /nfs/dbraw/zinc/47/11/17/1329471117.db2.gz YJYMRNNIXGNUGC-UKRRQHHQSA-N 1 0 325.447 3.335 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1F ZINC000862322571 1329475174 /nfs/dbraw/zinc/47/51/74/1329475174.db2.gz NPJDTFVZLSDVQY-CQSZACIVSA-N 1 0 340.414 3.006 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)c1 ZINC000862478640 1329489587 /nfs/dbraw/zinc/48/95/87/1329489587.db2.gz KROMBVGAOPKEER-HNNXBMFYSA-N 1 0 342.439 3.137 20 10 EGCDRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000862478538 1329489648 /nfs/dbraw/zinc/48/96/48/1329489648.db2.gz JDAUVIOZHFYJJR-MRXNPFEDSA-N 1 0 329.440 3.447 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](O)C(F)(F)F 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COc1cccc(C[N@@H+](C[C@H](O)c2ccccc2OC)C(C)C)c1O ZINC001203597181 1370182563 /nfs/dbraw/zinc/18/25/63/1370182563.db2.gz XERUPZVLGWVRHH-KRWDZBQOSA-N 1 0 345.439 3.353 20 10 EGCDRO COc1cccc(C[N@@H+](C[C@@H](O)c2ccccc2OC)C(C)C)c1O ZINC001203597183 1370182817 /nfs/dbraw/zinc/18/28/17/1370182817.db2.gz XERUPZVLGWVRHH-QGZVFWFLSA-N 1 0 345.439 3.353 20 10 EGCDRO COc1cccc(C[NH+]2CCC3(CC[C@@H](COC(C)=O)C3)CC2)c1O ZINC001203601875 1370183813 /nfs/dbraw/zinc/18/38/13/1370183813.db2.gz PERHASRFHSPLJQ-MRXNPFEDSA-N 1 0 347.455 3.346 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(O)c1 ZINC001203627510 1370192278 /nfs/dbraw/zinc/19/22/78/1370192278.db2.gz HLYWWEUTSKWAGJ-XLIONFOSSA-N 1 0 338.451 3.107 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c(O)c1 ZINC001203628873 1370192887 /nfs/dbraw/zinc/19/28/87/1370192887.db2.gz IZDKYZWTORGLNN-GASCZTMLSA-N 1 0 347.418 3.431 20 10 EGCDRO CC[N@H+](Cc1ccc(OC)cc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001203628869 1370193079 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CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204277272 1370429112 /nfs/dbraw/zinc/42/91/12/1370429112.db2.gz XOXVAESCQLCVJI-LJQANCHMSA-N 1 0 348.443 3.073 20 10 EGCDRO Cc1cccnc1N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320025 1370443035 /nfs/dbraw/zinc/44/30/35/1370443035.db2.gz LZWLIIQIGPKQEW-UHFFFAOYSA-N 1 0 336.483 3.312 20 10 EGCDRO CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)C1=O ZINC001204321874 1370443788 /nfs/dbraw/zinc/44/37/88/1370443788.db2.gz GSULTTLILCZCQL-OAQYLSRUSA-N 1 0 341.499 3.121 20 10 EGCDRO Oc1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC001204323905 1370443929 /nfs/dbraw/zinc/44/39/29/1370443929.db2.gz JVOGWKXDJWUPHV-UHFFFAOYSA-N 1 0 337.467 3.315 20 10 EGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329627 1370445344 /nfs/dbraw/zinc/44/53/44/1370445344.db2.gz SFYUJQHQKXYSCD-GOSISDBHSA-N 1 0 330.472 3.452 20 10 EGCDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328989 1370445540 /nfs/dbraw/zinc/44/55/40/1370445540.db2.gz AGCNNWAXMJLGOB-UHFFFAOYSA-N 1 0 343.515 3.366 20 10 EGCDRO c1cnc(OC2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)cn1 ZINC001204328633 1370445695 /nfs/dbraw/zinc/44/56/95/1370445695.db2.gz LCZZWPQSSLCPML-UHFFFAOYSA-N 1 0 338.455 3.120 20 10 EGCDRO COc1cc(C[NH+]2CCC(OC)(c3ccccc3)CC2)cc(O)c1O ZINC001204344713 1370449469 /nfs/dbraw/zinc/44/94/69/1370449469.db2.gz BNSQEIVMVDSXAF-UHFFFAOYSA-N 1 0 343.423 3.244 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(C)c1 ZINC001204494415 1370492140 /nfs/dbraw/zinc/49/21/40/1370492140.db2.gz JPGVHTXZPFRVRH-UHFFFAOYSA-N 1 0 338.451 3.261 20 10 EGCDRO Cc1cc(Br)cc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205841838 1370889944 /nfs/dbraw/zinc/88/99/44/1370889944.db2.gz LKIFZEGVGGDOJD-IINYFYTJSA-N 1 0 327.266 3.022 20 10 EGCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cc2F)CC1 ZINC001116440217 1370911962 /nfs/dbraw/zinc/91/19/62/1370911962.db2.gz BIUHJFWABZKTHE-PKOBYXMFSA-N 1 0 331.479 3.342 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nnnn1-c1ccccc1 ZINC001116568087 1370937908 /nfs/dbraw/zinc/93/79/08/1370937908.db2.gz MROJVAJXPVQFCH-HIFRSBDPSA-N 1 0 335.411 3.014 20 10 EGCDRO N[C@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CCC1(F)F ZINC001206682805 1371131602 /nfs/dbraw/zinc/13/16/02/1371131602.db2.gz FJRVSSKMQRLVOG-SFHVURJKSA-N 1 0 348.393 3.140 20 10 EGCDRO [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001206755430 1371154789 /nfs/dbraw/zinc/15/47/89/1371154789.db2.gz IBPJSTFNFSWHFW-UHFFFAOYSA-N 1 0 332.394 3.163 20 10 EGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118605538 1371205949 /nfs/dbraw/zinc/20/59/49/1371205949.db2.gz BGIATUOHNOCWGH-ICSRJNTNSA-N 1 0 330.472 3.498 20 10 EGCDRO COc1ccc(CC[NH+]2CCN(c3ccc(OC)cc3C)CC2)cc1 ZINC001207478854 1371408014 /nfs/dbraw/zinc/40/80/14/1371408014.db2.gz MXEOOQSPCRGSMN-UHFFFAOYSA-N 1 0 340.467 3.377 20 10 EGCDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001120070907 1371477822 /nfs/dbraw/zinc/47/78/22/1371477822.db2.gz LOZWJSPZAGFIJH-UHFFFAOYSA-N 1 0 345.487 3.434 20 10 EGCDRO CC(=O)N1CC[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C[C@@H]1C ZINC001209517406 1372127030 /nfs/dbraw/zinc/12/70/30/1372127030.db2.gz CFIMRAXVVCHORQ-KRWDZBQOSA-N 1 0 325.456 3.147 20 10 EGCDRO Oc1cccc(Br)c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210215756 1372295648 /nfs/dbraw/zinc/29/56/48/1372295648.db2.gz MSDORABPFILWEY-MRXNPFEDSA-N 1 0 347.256 3.301 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001326474162 1388207070 /nfs/dbraw/zinc/20/70/70/1388207070.db2.gz SXWVQFOGIHSTHK-GOEBONIOSA-N 1 0 338.455 3.166 20 10 EGCDRO O=[N+]([O-])c1ccc(/N=N/c2ccc(O[C@@H]3C[NH2+]CCOC3)cc2)cc1 ZINC001218044048 1373546864 /nfs/dbraw/zinc/54/68/64/1373546864.db2.gz LYCWLZMATOKILO-NHKNDPDJSA-N 1 0 342.355 3.377 20 10 EGCDRO Oc1cccc(OC(F)(F)F)c1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222396684 1373836477 /nfs/dbraw/zinc/83/64/77/1373836477.db2.gz VLKOOUQXNJYHQU-INIZCTEOSA-N 1 0 344.377 3.399 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C(C2CCC2)C2CCC2)cc1C ZINC001132966545 1375681839 /nfs/dbraw/zinc/68/18/39/1375681839.db2.gz QYUIPQWNQXPSSS-UHFFFAOYSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C(C)C)cn2)cc1C ZINC001133837931 1376225419 /nfs/dbraw/zinc/22/54/19/1376225419.db2.gz REYAVNSKYSLDGA-UHFFFAOYSA-N 1 0 341.455 3.042 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(F)(F)F)cc1C ZINC001133854680 1376234764 /nfs/dbraw/zinc/23/47/64/1376234764.db2.gz ZJGITMGSMNCDPM-QWHCGFSZSA-N 1 0 346.393 3.329 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c1O ZINC001231592072 1376273035 /nfs/dbraw/zinc/27/30/35/1376273035.db2.gz AWMQBRQBTIUQOD-UHFFFAOYSA-N 1 0 332.444 3.286 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)c1O ZINC001231592499 1376274177 /nfs/dbraw/zinc/27/41/77/1376274177.db2.gz NEFZVEUTSHQFPY-UHFFFAOYSA-N 1 0 341.333 3.482 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c1O ZINC001231592209 1376274375 /nfs/dbraw/zinc/27/43/75/1376274375.db2.gz GHPUELFBGOYICI-MOPGFXCFSA-N 1 0 338.451 3.324 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)cc1Cl ZINC001231871467 1376333369 /nfs/dbraw/zinc/33/33/69/1376333369.db2.gz LBZBKLBQVVCGMZ-UHFFFAOYSA-N 1 0 338.879 3.433 20 10 EGCDRO Cc1cccc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)c1 ZINC001232261361 1376425463 /nfs/dbraw/zinc/42/54/63/1376425463.db2.gz ZYXASHSEFBDPSR-UHFFFAOYSA-N 1 0 332.831 3.382 20 10 EGCDRO COC(=O)c1ccc(C2C[NH+](Cc3cc(Cl)c(O)cc3O)C2)cc1 ZINC001232263203 1376426252 /nfs/dbraw/zinc/42/62/52/1376426252.db2.gz JXFUTUMHEXDHSC-UHFFFAOYSA-N 1 0 347.798 3.137 20 10 EGCDRO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286827 1376604610 /nfs/dbraw/zinc/60/46/10/1376604610.db2.gz KFPJUEJNJNIVPI-QGZVFWFLSA-N 1 0 332.488 3.426 20 10 EGCDRO CCc1ncnc2c1CC[N@H+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001233288967 1376606121 /nfs/dbraw/zinc/60/61/21/1376606121.db2.gz FLIZAPCFPFUHBA-UHFFFAOYSA-N 1 0 347.846 3.007 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c1O ZINC001233290884 1376606473 /nfs/dbraw/zinc/60/64/73/1376606473.db2.gz BDYMHQYKOJVOOJ-OAHLLOKOSA-N 1 0 348.830 3.411 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(N)cc1Cl ZINC001233375868 1376631121 /nfs/dbraw/zinc/63/11/21/1376631121.db2.gz GFCPOMBCSMDJGJ-UHFFFAOYSA-N 1 0 345.874 3.391 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@]3(CNCCO3)C2)cc1 ZINC001235113246 1376846902 /nfs/dbraw/zinc/84/69/02/1376846902.db2.gz AWWWMCYBPRRRLG-OAQYLSRUSA-N 1 0 339.483 3.049 20 10 EGCDRO Oc1c(CN2CCCC[C@@]23CC[NH2+]C3)cccc1OC(F)(F)F ZINC001235116027 1376848669 /nfs/dbraw/zinc/84/86/69/1376848669.db2.gz COCYMRDZVXTKHH-HNNXBMFYSA-N 1 0 330.350 3.009 20 10 EGCDRO COC(=O)Cc1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c(O)c1 ZINC001249207840 1377073077 /nfs/dbraw/zinc/07/30/77/1377073077.db2.gz JTSRUARNJGOFTO-INIZCTEOSA-N 1 0 335.419 3.212 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(C)(F)F)cc1C ZINC001135429311 1377092920 /nfs/dbraw/zinc/09/29/20/1377092920.db2.gz FFUGZUNIFKWSEU-KGLIPLIRSA-N 1 0 342.430 3.422 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1C ZINC001136053226 1377315160 /nfs/dbraw/zinc/31/51/60/1377315160.db2.gz DLIRWEIZIULTSL-ZWKOTPCHSA-N 1 0 330.472 3.036 20 10 EGCDRO CC[C@]1(C(C)C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001136087988 1377339513 /nfs/dbraw/zinc/33/95/13/1377339513.db2.gz RKFUMPCIEMULJY-YLJYHZDGSA-N 1 0 332.488 3.282 20 10 EGCDRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4c(O)cccc4F)C[C@H]3C2)cc1 ZINC001137834753 1377626049 /nfs/dbraw/zinc/62/60/49/1377626049.db2.gz RPNUWXSFJAQILW-QZTJIDSGSA-N 1 0 340.442 3.404 20 10 EGCDRO Cc1cc(C[NH+]2CCN(c3ncccn3)CC2)c(C)n1-c1ccccc1 ZINC001137854512 1377631711 /nfs/dbraw/zinc/63/17/11/1377631711.db2.gz ZWPOWWFDXQBNKF-UHFFFAOYSA-N 1 0 347.466 3.206 20 10 EGCDRO Cc1c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c2ccccc2n1C ZINC001138252798 1377694269 /nfs/dbraw/zinc/69/42/69/1377694269.db2.gz VBZAWWNTLSDAJN-INIZCTEOSA-N 1 0 326.362 3.233 20 10 EGCDRO Cc1c(C[NH+]2CCC(N3CCCC3=O)CC2)c2ccccc2n1C ZINC001138258009 1377694963 /nfs/dbraw/zinc/69/49/63/1377694963.db2.gz ICMJGBKZKRGBPF-UHFFFAOYSA-N 1 0 325.456 3.074 20 10 EGCDRO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138359652 1377709574 /nfs/dbraw/zinc/70/95/74/1377709574.db2.gz XOGDVEKKKPZLTE-UHFFFAOYSA-N 1 0 343.515 3.149 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CC)CCn2cccn2)c(OC)c1 ZINC001138388918 1377714049 /nfs/dbraw/zinc/71/40/49/1377714049.db2.gz AOJMICOXRIOYLP-UHFFFAOYSA-N 1 0 330.476 3.260 20 10 EGCDRO CCN(CC[NH+]1CCCC1)Cc1ccc(N(CC)CC)cc1OC ZINC001138389123 1377714069 /nfs/dbraw/zinc/71/40/69/1377714069.db2.gz KOXSAYXNTWTSEA-UHFFFAOYSA-N 1 0 333.520 3.459 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C2CC[NH+](CC)CC2)c(OC)c1 ZINC001138389327 1377714373 /nfs/dbraw/zinc/71/43/73/1377714373.db2.gz JDCFFJCRGBPARI-UHFFFAOYSA-N 1 0 333.520 3.458 20 10 EGCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)c1 ZINC001139674045 1377931415 /nfs/dbraw/zinc/93/14/15/1377931415.db2.gz LSPILAGWDCGZQO-SFHVURJKSA-N 1 0 341.455 3.118 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140057634 1377997961 /nfs/dbraw/zinc/99/79/61/1377997961.db2.gz INZDYEMRQQBNHY-HNNXBMFYSA-N 1 0 338.423 3.411 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)c(C)c1 ZINC001140060199 1377998398 /nfs/dbraw/zinc/99/83/98/1377998398.db2.gz OXLXUMFLRBQQRB-UHFFFAOYSA-N 1 0 330.403 3.171 20 10 EGCDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140060312 1377998461 /nfs/dbraw/zinc/99/84/61/1377998461.db2.gz VDYMAGZGKYODPA-IUODEOHRSA-N 1 0 338.423 3.409 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)c1O ZINC001140179157 1378026521 /nfs/dbraw/zinc/02/65/21/1378026521.db2.gz CQEYHHCAZCCWED-UHFFFAOYSA-N 1 0 341.455 3.187 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](S(=O)(=O)c3ccccc3)C2)c1O ZINC001140182317 1378026917 /nfs/dbraw/zinc/02/69/17/1378026917.db2.gz OSYXDYGVGUAENZ-KRWDZBQOSA-N 1 0 345.464 3.057 20 10 EGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140184615 1378027926 /nfs/dbraw/zinc/02/79/26/1378027926.db2.gz BVHWNSJACKUUDD-INIZCTEOSA-N 1 0 342.439 3.456 20 10 EGCDRO OC1CCN(c2ccc(C[N@H+]3C[C@@H]4CC(F)(F)C[C@@H]4C3)cc2)CC1 ZINC001140283406 1378041034 /nfs/dbraw/zinc/04/10/34/1378041034.db2.gz SMNKAULKTMFJOY-IYBDPMFKSA-N 1 0 336.426 3.125 20 10 EGCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CC[C@@H]21 ZINC001140340095 1378049174 /nfs/dbraw/zinc/04/91/74/1378049174.db2.gz RCONJJNBPXTYBD-BBRMVZONSA-N 1 0 336.863 3.124 20 10 EGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC001140342632 1378049838 /nfs/dbraw/zinc/04/98/38/1378049838.db2.gz RNAVRGFPEBHTGX-ZDUSSCGKSA-N 1 0 333.819 3.187 20 10 EGCDRO O=C1CC2(CN1CC1CC1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140342676 1378050239 /nfs/dbraw/zinc/05/02/39/1378050239.db2.gz UCZNKERSVWHEHK-UHFFFAOYSA-N 1 0 348.874 3.270 20 10 EGCDRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(Cl)cc2O)N1c1ccsc1 ZINC001140464820 1378067762 /nfs/dbraw/zinc/06/77/62/1378067762.db2.gz CUDUUOZYBFBYDT-LSDHHAIUSA-N 1 0 348.855 3.487 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140466168 1378067974 /nfs/dbraw/zinc/06/79/74/1378067974.db2.gz ZRINNJISQXLRBU-RISCZKNCSA-N 1 0 340.851 3.391 20 10 EGCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)nc1 ZINC001140464409 1378068055 /nfs/dbraw/zinc/06/80/55/1378068055.db2.gz OQHNQFIUCYOXKI-INIZCTEOSA-N 1 0 348.830 3.493 20 10 EGCDRO C[C@H]1CC[N@@H+]1Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001140476007 1378069405 /nfs/dbraw/zinc/06/94/05/1378069405.db2.gz DVCHFNOBCUDSDD-INIZCTEOSA-N 1 0 345.487 3.338 20 10 EGCDRO CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001273285256 1378094658 /nfs/dbraw/zinc/09/46/58/1378094658.db2.gz OGIRGXQUPCGEPT-LJQANCHMSA-N 1 0 334.435 3.288 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2cnn(CC)c21 ZINC001140621644 1378100194 /nfs/dbraw/zinc/10/01/94/1378100194.db2.gz NXAOZQFMYGGUGR-KRWDZBQOSA-N 1 0 329.444 3.053 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001140623607 1378100267 /nfs/dbraw/zinc/10/02/67/1378100267.db2.gz XYVHDZDXRSANJR-RDJZCZTQSA-N 1 0 346.471 3.389 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2cnn(CC)c21 ZINC001140621645 1378100455 /nfs/dbraw/zinc/10/04/55/1378100455.db2.gz NXAOZQFMYGGUGR-QGZVFWFLSA-N 1 0 329.444 3.053 20 10 EGCDRO CC(C)[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCOCC1 ZINC001140667411 1378110264 /nfs/dbraw/zinc/11/02/64/1378110264.db2.gz RUWWZAATVOJRIR-UHFFFAOYSA-N 1 0 336.451 3.052 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1O ZINC001140742642 1378128253 /nfs/dbraw/zinc/12/82/53/1378128253.db2.gz TVNLZEYQWAAJLZ-VMPITWQZSA-N 1 0 338.451 3.237 20 10 EGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855528 1378158180 /nfs/dbraw/zinc/15/81/80/1378158180.db2.gz DECNJVUFGVLWBK-MRXNPFEDSA-N 1 0 334.460 3.014 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140854896 1378158636 /nfs/dbraw/zinc/15/86/36/1378158636.db2.gz GHUFZKDMFHJUQB-MRXNPFEDSA-N 1 0 348.487 3.402 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC)C2)c(O)c1 ZINC001140856036 1378159779 /nfs/dbraw/zinc/15/97/79/1378159779.db2.gz PNUZGHMGMVPWLU-OAHLLOKOSA-N 1 0 334.460 3.014 20 10 EGCDRO C[N@H+](Cc1ccccc1O)Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912952 1378178426 /nfs/dbraw/zinc/17/84/26/1378178426.db2.gz OIBJXCUFPKAYBO-UHFFFAOYSA-N 1 0 343.427 3.188 20 10 EGCDRO FC(F)(F)CCC[N@H+]1C[C@H]2C[C@@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001277014581 1378199816 /nfs/dbraw/zinc/19/98/16/1378199816.db2.gz STVWCIKYVUPHJZ-OKILXGFUSA-N 1 0 342.361 3.063 20 10 EGCDRO COc1cc(O)c(C[N@H+](C2CCCC2)C2CCN(C)CC2)c(OC)c1 ZINC001141032531 1378214318 /nfs/dbraw/zinc/21/43/18/1378214318.db2.gz FDPCYXYTUVDHGZ-UHFFFAOYSA-N 1 0 348.487 3.248 20 10 EGCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)[C@@H]1C ZINC001141075996 1378233168 /nfs/dbraw/zinc/23/31/68/1378233168.db2.gz JBPPEMMHMMWQPA-BEFAXECRSA-N 1 0 342.483 3.159 20 10 EGCDRO COc1ccc(C(=O)C2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141159831 1378254480 /nfs/dbraw/zinc/25/44/80/1378254480.db2.gz MAAHKBUPMJHWTF-UHFFFAOYSA-N 1 0 341.407 3.201 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCN(Cc3ccccn3)CC2)c1O ZINC001143105403 1378540912 /nfs/dbraw/zinc/54/09/12/1378540912.db2.gz UNSYMAORWCFLDH-UHFFFAOYSA-N 1 0 339.483 3.403 20 10 EGCDRO CC[NH+](CC)C[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143117197 1378543519 /nfs/dbraw/zinc/54/35/19/1378543519.db2.gz XBDOOERFCHAEFY-KRWDZBQOSA-N 1 0 334.504 3.232 20 10 EGCDRO C[N@H+](CCc1ccncc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144300273 1378712987 /nfs/dbraw/zinc/71/29/87/1378712987.db2.gz ZWRVYQAOJLCXHE-UHFFFAOYSA-N 1 0 339.208 3.363 20 10 EGCDRO CCc1nccnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155630149 1380476068 /nfs/dbraw/zinc/47/60/68/1380476068.db2.gz RYUVTENCNNVJNS-ONCXSQPRSA-N 1 0 338.499 3.438 20 10 EGCDRO Cc1ncc(F)c(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155629415 1380476214 /nfs/dbraw/zinc/47/62/14/1380476214.db2.gz JFWABVXBSGYCOB-QFHJOOASSA-N 1 0 342.462 3.324 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C)cs2)cc1C ZINC001157575493 1380970028 /nfs/dbraw/zinc/97/00/28/1380970028.db2.gz RRGMWJPGQCTWAO-UHFFFAOYSA-N 1 0 332.469 3.283 20 10 EGCDRO Fc1ccc(N2CC[NH2+]CC2)c(Nc2ccc3c(c2)CCCN3)c1 ZINC001160045170 1381978852 /nfs/dbraw/zinc/97/88/52/1381978852.db2.gz DGJZNEXUOROBFZ-UHFFFAOYSA-N 1 0 326.419 3.337 20 10 EGCDRO Oc1cc2ccccc2cc1CNc1cccc(N2CCOCC2)[nH+]1 ZINC001160206612 1382033644 /nfs/dbraw/zinc/03/36/44/1382033644.db2.gz NFRHHVAXSRFEMI-UHFFFAOYSA-N 1 0 335.407 3.389 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(C)c(F)c2)cc1C ZINC001162075200 1382620438 /nfs/dbraw/zinc/62/04/38/1382620438.db2.gz BWXQHLZQIHRXMX-UHFFFAOYSA-N 1 0 344.430 3.361 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)C(F)(F)F)cc1C ZINC001165667078 1383321584 /nfs/dbraw/zinc/32/15/84/1383321584.db2.gz QWBVCSYUXKNCDH-ZDUSSCGKSA-N 1 0 346.393 3.188 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](F)c2ccccc2)cc1C ZINC001167377021 1383615099 /nfs/dbraw/zinc/61/50/99/1383615099.db2.gz OUEUOXVKGVTKQA-LJQANCHMSA-N 1 0 344.430 3.310 20 10 EGCDRO Cc1c(Cl)ccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426953 1383631106 /nfs/dbraw/zinc/63/11/06/1383631106.db2.gz PZCOPNZPYZURBY-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO Cc1ccc(N(C)C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167437383 1383633870 /nfs/dbraw/zinc/63/38/70/1383633870.db2.gz TWEDSTJOEHWROP-UHFFFAOYSA-N 1 0 338.499 3.425 20 10 EGCDRO Fc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001168399887 1383896790 /nfs/dbraw/zinc/89/67/90/1383896790.db2.gz FBMONAJCSRUEHG-HXUWFJFHSA-N 1 0 340.442 3.309 20 10 EGCDRO O=C(C[NH2+][C@H]1CCc2cc(Cl)ccc2C1)c1ccc(O)c(O)c1 ZINC001171104992 1384446361 /nfs/dbraw/zinc/44/63/61/1384446361.db2.gz MNEMKLIAXOBETJ-HNNXBMFYSA-N 1 0 331.799 3.081 20 10 EGCDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001172952818 1384888499 /nfs/dbraw/zinc/88/84/99/1384888499.db2.gz BWQUPRYUDMPHKW-OAHLLOKOSA-N 1 0 335.492 3.488 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173141685 1384922990 /nfs/dbraw/zinc/92/29/90/1384922990.db2.gz RGJWBJHBZXPOIN-NSHDSACASA-N 1 0 339.258 3.258 20 10 EGCDRO C[C@H](C1CC1)[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001319688432 1386252749 /nfs/dbraw/zinc/25/27/49/1386252749.db2.gz IMNHRYSVHVBSTQ-OAHLLOKOSA-N 1 0 331.479 3.340 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC001320257442 1386564432 /nfs/dbraw/zinc/56/44/32/1386564432.db2.gz ANHZXTMQPFYDMO-CXAGYDPISA-N 1 0 336.435 3.325 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC(=O)Nc1ccccn1 ZINC001321026608 1386786883 /nfs/dbraw/zinc/78/68/83/1386786883.db2.gz CFZNAMNHHCMYRD-UONOGXRCSA-N 1 0 325.412 3.262 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1Cc3ccccc3C3(CCC3)C1)[C@@H](O)CO2 ZINC001322053480 1387040404 /nfs/dbraw/zinc/04/04/04/1387040404.db2.gz ZUZBIXJEPYFNPO-IBGZPJMESA-N 1 0 337.419 3.256 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001329174527 1389004569 /nfs/dbraw/zinc/00/45/69/1389004569.db2.gz FYVNLISBQGULBK-IRHLFGLPSA-N 1 0 340.423 3.469 20 10 EGCDRO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336118210 1389017952 /nfs/dbraw/zinc/01/79/52/1389017952.db2.gz GGTQADSVNZMHFH-MRXNPFEDSA-N 1 0 339.439 3.128 20 10 EGCDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ccc(N)cc1 ZINC001336284508 1389059068 /nfs/dbraw/zinc/05/90/68/1389059068.db2.gz AFQLJKUJULKWNZ-CQSZACIVSA-N 1 0 325.412 3.418 20 10 EGCDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329847304 1389236454 /nfs/dbraw/zinc/23/64/54/1389236454.db2.gz DOXCGXQNONCURS-MRXNPFEDSA-N 1 0 339.524 3.151 20 10 EGCDRO CCOc1ccc(N2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)cc1 ZINC001330591896 1389463922 /nfs/dbraw/zinc/46/39/22/1389463922.db2.gz JMAVNERPDSLVBI-HXUWFJFHSA-N 1 0 345.531 3.470 20 10 EGCDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(N)cc1 ZINC001338733086 1389746955 /nfs/dbraw/zinc/74/69/55/1389746955.db2.gz YAUDCLBRMBWRTA-UHFFFAOYSA-N 1 0 340.471 3.108 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CCOCC2)c2c1c(F)ccc2O ZINC001339286141 1389974995 /nfs/dbraw/zinc/97/49/95/1389974995.db2.gz HZPLEBDTPWABRM-XNRPHZJLSA-N 1 0 337.435 3.094 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3N(C)C)CC2)cc1 ZINC001340525753 1390305926 /nfs/dbraw/zinc/30/59/26/1390305926.db2.gz DNKQDSWLYMLIGE-PMACEKPBSA-N 1 0 331.504 3.126 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C3OCCO3)cc2)c1O ZINC001333705207 1390379035 /nfs/dbraw/zinc/37/90/35/1390379035.db2.gz OFTGAQVYBVDEFS-UHFFFAOYSA-N 1 0 329.396 3.044 20 10 EGCDRO COc1ccc(C[NH2+]CCc2nc3c(s2)CCCC3)c(O)c1OC ZINC001334170885 1390492839 /nfs/dbraw/zinc/49/28/39/1390492839.db2.gz JPPJEORVJBDBPI-UHFFFAOYSA-N 1 0 348.468 3.077 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(N)cc3)CC2)s1 ZINC001334755088 1390582206 /nfs/dbraw/zinc/58/22/06/1390582206.db2.gz VFSPZEBZBIOARD-UHFFFAOYSA-N 1 0 329.469 3.033 20 10 EGCDRO Nc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC001335285222 1390666601 /nfs/dbraw/zinc/66/66/01/1390666601.db2.gz LMCIRUZTBAAFAJ-UHFFFAOYSA-N 1 0 327.403 3.259 20 10 EGCDRO CC(C)Cn1c([C@@H]2CCCN2C)nnc1N(C)Cc1ccccc1O ZINC001343014697 1390684119 /nfs/dbraw/zinc/68/41/19/1390684119.db2.gz YHDKBISDJSECHE-INIZCTEOSA-N 1 0 343.475 3.043 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]C2CCC3(CCCO3)CC2)N(C)C)cc1 ZINC001343332804 1390707693 /nfs/dbraw/zinc/70/76/93/1390707693.db2.gz IRTUKLWQFMRTIN-VEDCXYSMSA-N 1 0 345.531 3.437 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001345159814 1390842153 /nfs/dbraw/zinc/84/21/53/1390842153.db2.gz MZCFZBOYZNBKSQ-GOEBONIOSA-N 1 0 333.476 3.252 20 10 EGCDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC001347669057 1391109104 /nfs/dbraw/zinc/10/91/04/1391109104.db2.gz QHKXBXLYVXAIGE-LRQRDZAKSA-N 1 0 341.451 3.196 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2occc2C)cc1C ZINC001753998955 1440529906 /nfs/dbraw/zinc/52/99/06/1440529906.db2.gz XKMGDSCYAOODHB-INIZCTEOSA-N 1 0 344.455 3.132 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001754262253 1440560066 /nfs/dbraw/zinc/56/00/66/1440560066.db2.gz MXGMWMYGLAMUDX-AWEZNQCLSA-N 1 0 332.488 3.280 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CCCF)C2)cc1C ZINC001754797769 1440689845 /nfs/dbraw/zinc/68/98/45/1440689845.db2.gz SWYWTVAMILIJFO-WBVHZDCISA-N 1 0 336.451 3.080 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cccnc2)cc1C ZINC001755488404 1440861106 /nfs/dbraw/zinc/86/11/06/1440861106.db2.gz PXIITWIJLSNPAE-MRXNPFEDSA-N 1 0 341.455 3.087 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2csnc2C)cc1C ZINC001755581050 1440879282 /nfs/dbraw/zinc/87/92/82/1440879282.db2.gz FLVZORZDYNEGHU-ZDUSSCGKSA-N 1 0 347.484 3.019 20 10 EGCDRO Fc1cc(C[NH2+][C@@H]2CCc3ccccc32)ccc1N1CCOCC1 ZINC000066970553 215100125 /nfs/dbraw/zinc/10/01/25/215100125.db2.gz UTHRQDNUVKUVHN-LJQANCHMSA-N 1 0 326.415 3.439 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1O ZINC000290320615 456291143 /nfs/dbraw/zinc/29/11/43/456291143.db2.gz CYHSZPVKBRXJQL-SWLSCSKDSA-N 1 0 341.293 3.235 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnccn1 ZINC000157724211 455224471 /nfs/dbraw/zinc/22/44/71/455224471.db2.gz XLBIKBBNSGCAQP-CYBMUJFWSA-N 1 0 348.397 3.398 20 10 EGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnccn1 ZINC000157724058 455224932 /nfs/dbraw/zinc/22/49/32/455224932.db2.gz XLBIKBBNSGCAQP-ZDUSSCGKSA-N 1 0 348.397 3.398 20 10 EGCDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000000228692 452541096 /nfs/dbraw/zinc/54/10/96/452541096.db2.gz AXJCBOPJUWUKSZ-DOTOQJQBSA-N 1 0 346.430 3.326 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000181563480 455356003 /nfs/dbraw/zinc/35/60/03/455356003.db2.gz OUPIQIIECCYEQF-WOJBJXKFSA-N 1 0 346.515 3.189 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cc1 ZINC000089546648 454161875 /nfs/dbraw/zinc/16/18/75/454161875.db2.gz OPJWCKRRTUJSNU-HNNXBMFYSA-N 1 0 325.456 3.135 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2ccc(Br)o2)c1O ZINC000130696172 454212397 /nfs/dbraw/zinc/21/23/97/454212397.db2.gz XAJRBOWMGKCTSO-UHFFFAOYSA-N 1 0 326.190 3.388 20 10 EGCDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000119779625 454218633 /nfs/dbraw/zinc/21/86/33/454218633.db2.gz BRNPOKVWUQNPFT-QGZVFWFLSA-N 1 0 340.467 3.253 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000090885629 454348670 /nfs/dbraw/zinc/34/86/70/454348670.db2.gz GDQVXLCXGAXUKN-JXFKEZNVSA-N 1 0 342.487 3.185 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000121143797 454397190 /nfs/dbraw/zinc/39/71/90/454397190.db2.gz PTMNKJLFALRBEP-INIZCTEOSA-N 1 0 326.440 3.261 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cnn(C(C)(C)C)c3)CC2)cc1 ZINC000092380865 454558627 /nfs/dbraw/zinc/55/86/27/454558627.db2.gz CTYGWJKZBYEQOS-UHFFFAOYSA-N 1 0 342.487 3.359 20 10 EGCDRO CN(C)c1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000049973768 454565859 /nfs/dbraw/zinc/56/58/59/454565859.db2.gz NZISUQUCNVHALX-UHFFFAOYSA-N 1 0 337.467 3.278 20 10 EGCDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000123660187 454662639 /nfs/dbraw/zinc/66/26/39/454662639.db2.gz DKTSDPMMEZGQQN-DNVCBOLYSA-N 1 0 344.430 3.047 20 10 EGCDRO Oc1ccc(Br)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596834 454722400 /nfs/dbraw/zinc/72/24/00/454722400.db2.gz XRGLDLQHMHSBMZ-CYBMUJFWSA-N 1 0 339.277 3.072 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000136137898 454722960 /nfs/dbraw/zinc/72/29/60/454722960.db2.gz UDEFISPUYWCDPN-AWEZNQCLSA-N 1 0 337.876 3.256 20 10 EGCDRO CC(C)(C)c1noc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000109761492 454835739 /nfs/dbraw/zinc/83/57/39/454835739.db2.gz RWLIBAZRXGDNAD-HNNXBMFYSA-N 1 0 345.443 3.254 20 10 EGCDRO CCc1cc2c(C[N@H+](C)Cc3ccccc3O)cc(=O)oc2cc1O ZINC000109771296 454836006 /nfs/dbraw/zinc/83/60/06/454836006.db2.gz FLBSQWJFUJNXGU-UHFFFAOYSA-N 1 0 339.391 3.399 20 10 EGCDRO COCCCOc1cccc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000125896998 454853952 /nfs/dbraw/zinc/85/39/52/454853952.db2.gz SRTCGXZDOIHICO-UHFFFAOYSA-N 1 0 331.412 3.106 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)CCO2 ZINC000154089704 454864964 /nfs/dbraw/zinc/86/49/64/454864964.db2.gz BYYVMHPVPUNFHZ-UHFFFAOYSA-N 1 0 338.451 3.090 20 10 EGCDRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccccc3O)CC2)ncn1 ZINC000154220332 454875359 /nfs/dbraw/zinc/87/53/59/454875359.db2.gz LMGFKIRTEPIORW-CQSZACIVSA-N 1 0 326.444 3.064 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+]CC3=CCCOC3)CC2)cc1 ZINC000126963369 454929245 /nfs/dbraw/zinc/92/92/45/454929245.db2.gz BTIXGMSQIVUXFH-UHFFFAOYSA-N 1 0 338.398 3.193 20 10 EGCDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000178225149 454943456 /nfs/dbraw/zinc/94/34/56/454943456.db2.gz GTEUUUBBSKCIJZ-QGZVFWFLSA-N 1 0 331.504 3.490 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1O ZINC000155235450 454977414 /nfs/dbraw/zinc/97/74/14/454977414.db2.gz SSHLHIAVQCQAJK-QGZVFWFLSA-N 1 0 333.453 3.178 20 10 EGCDRO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(C)ccc1O ZINC000179603568 455061824 /nfs/dbraw/zinc/06/18/24/455061824.db2.gz MBGXBHLCNISSAX-UHFFFAOYSA-N 1 0 328.412 3.170 20 10 EGCDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O ZINC000179873019 455091987 /nfs/dbraw/zinc/09/19/87/455091987.db2.gz ULSAEURSSBKUEJ-LBPRGKRZSA-N 1 0 339.844 3.170 20 10 EGCDRO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(C)ccc3O)CC2)c1 ZINC000129060331 455096515 /nfs/dbraw/zinc/09/65/15/455096515.db2.gz XDMPAXRZZLLVLQ-UHFFFAOYSA-N 1 0 338.451 3.357 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000156410924 455114947 /nfs/dbraw/zinc/11/49/47/455114947.db2.gz YOMDWZGYCQUYJM-GOEBONIOSA-N 1 0 343.446 3.433 20 10 EGCDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000180549944 455194326 /nfs/dbraw/zinc/19/43/26/455194326.db2.gz FKWCHRUQILPNEK-ZDUSSCGKSA-N 1 0 341.293 3.237 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)N(CC)Cc1ccccc1)c1ccccc1O ZINC000183330593 455278661 /nfs/dbraw/zinc/27/86/61/455278661.db2.gz DYFKMWLUDAOFPL-SFHVURJKSA-N 1 0 326.440 3.482 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1O ZINC000183524232 455302932 /nfs/dbraw/zinc/30/29/32/455302932.db2.gz HCKOGEHAXPVEBH-BZNIZROVSA-N 1 0 349.814 3.201 20 10 EGCDRO CCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265871612 455396594 /nfs/dbraw/zinc/39/65/94/455396594.db2.gz JLBDJFCURLTNRX-XWIAVFTESA-N 1 0 333.428 3.146 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184904383 455469550 /nfs/dbraw/zinc/46/95/50/455469550.db2.gz XWIGECJQWRWLRJ-BEFAXECRSA-N 1 0 344.430 3.255 20 10 EGCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000184978221 455480070 /nfs/dbraw/zinc/48/00/70/455480070.db2.gz JVIWAYXFXSEGTH-LLVKDONJSA-N 1 0 338.249 3.470 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCCc3ccccc32)c1 ZINC000182314947 455486934 /nfs/dbraw/zinc/48/69/34/455486934.db2.gz CZTLXSSNFCEEKM-AWEZNQCLSA-N 1 0 340.423 3.031 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000185104822 455501662 /nfs/dbraw/zinc/50/16/62/455501662.db2.gz OTERPZDXENUFMF-ZDUSSCGKSA-N 1 0 332.469 3.171 20 10 EGCDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000191640106 455506629 /nfs/dbraw/zinc/50/66/29/455506629.db2.gz CRDCTUJZAPIBCR-FQEVSTJZSA-N 1 0 343.423 3.011 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)c1O ZINC000191683941 455509466 /nfs/dbraw/zinc/50/94/66/455509466.db2.gz HYIABTXOUJFXKS-INIZCTEOSA-N 1 0 335.831 3.056 20 10 EGCDRO COc1cccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1O ZINC000191712920 455511992 /nfs/dbraw/zinc/51/19/92/455511992.db2.gz LANNVQVLPGEHJL-YWZLYKJASA-N 1 0 329.440 3.120 20 10 EGCDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000185201123 455520443 /nfs/dbraw/zinc/52/04/43/455520443.db2.gz LDYGXZKFYPFIJQ-GFCCVEGCSA-N 1 0 348.830 3.135 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161132405 455538045 /nfs/dbraw/zinc/53/80/45/455538045.db2.gz XRIMZLNVHBJKIZ-NJAFHUGGSA-N 1 0 349.494 3.186 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161131994 455538190 /nfs/dbraw/zinc/53/81/90/455538190.db2.gz XRIMZLNVHBJKIZ-JQHSSLGASA-N 1 0 349.494 3.186 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000161277539 455555176 /nfs/dbraw/zinc/55/51/76/455555176.db2.gz LYIMUAMUGFVSSV-OAHLLOKOSA-N 1 0 329.419 3.217 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(Br)ccc1O ZINC000185531116 455574058 /nfs/dbraw/zinc/57/40/58/455574058.db2.gz LOFPERHWOCTTNL-GYSYKLTISA-N 1 0 328.250 3.356 20 10 EGCDRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000271365900 455612179 /nfs/dbraw/zinc/61/21/79/455612179.db2.gz OGGQRXHCWWAHLT-UHFFFAOYSA-N 1 0 328.387 3.382 20 10 EGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)[nH]1 ZINC000271420934 455629866 /nfs/dbraw/zinc/62/98/66/455629866.db2.gz ZJUSPEKWAQGCQX-GOSISDBHSA-N 1 0 339.487 3.483 20 10 EGCDRO Cc1noc(C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000277723186 455645282 /nfs/dbraw/zinc/64/52/82/455645282.db2.gz TXDXDNZFCOIOAL-SFHVURJKSA-N 1 0 335.407 3.387 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(C)nn1C)c1cc(Br)ccc1O ZINC000284267697 455659010 /nfs/dbraw/zinc/65/90/10/455659010.db2.gz JELDXXXUGWZWAX-CQSZACIVSA-N 1 0 338.249 3.438 20 10 EGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000271517920 455668162 /nfs/dbraw/zinc/66/81/62/455668162.db2.gz MRSLNKKZEFOFNW-DZGCQCFKSA-N 1 0 328.250 3.448 20 10 EGCDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2)ncn1 ZINC000186023741 455677833 /nfs/dbraw/zinc/67/78/33/455677833.db2.gz OYWVAWXEQKZIFF-DOTOQJQBSA-N 1 0 340.471 3.373 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1O ZINC000186154919 455704851 /nfs/dbraw/zinc/70/48/51/455704851.db2.gz UMZRHNBQRXUIEO-QGZVFWFLSA-N 1 0 333.453 3.178 20 10 EGCDRO COc1cc(NCC[NH2+][C@H](C)c2cc(F)ccc2O)cc(OC)c1 ZINC000186155039 455704931 /nfs/dbraw/zinc/70/49/31/455704931.db2.gz PKABFTBFUDVMCZ-GFCCVEGCSA-N 1 0 334.391 3.311 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)cc1OC ZINC000271870229 455793406 /nfs/dbraw/zinc/79/34/06/455793406.db2.gz XJPLLNDQPJEGGJ-HXPMCKFVSA-N 1 0 349.402 3.414 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000271877093 455795622 /nfs/dbraw/zinc/79/56/22/455795622.db2.gz ZRJJEKDHZVZRFB-SJLPKXTDSA-N 1 0 346.377 3.040 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@H]4CCC[C@H]43)cc2)CC1 ZINC000294805990 455828258 /nfs/dbraw/zinc/82/82/58/455828258.db2.gz COKPCJUSPFJQIW-UXHICEINSA-N 1 0 330.472 3.055 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000294883628 455831358 /nfs/dbraw/zinc/83/13/58/455831358.db2.gz ALQRRMUUGSVQPZ-LEWJYISDSA-N 1 0 344.499 3.445 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000295070062 455838098 /nfs/dbraw/zinc/83/80/98/455838098.db2.gz WGTWQGRNWZNQQJ-SFTDATJTSA-N 1 0 344.499 3.349 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCCO1 ZINC000295304787 455844947 /nfs/dbraw/zinc/84/49/47/455844947.db2.gz KJBYZPGDSBCDDS-LJQANCHMSA-N 1 0 332.488 3.303 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]CC2(CO)COC2)c(O)c(C(C)(C)C)c1 ZINC000269465408 455848022 /nfs/dbraw/zinc/84/80/22/455848022.db2.gz HNWPDKKXFUDYLR-UHFFFAOYSA-N 1 0 335.488 3.086 20 10 EGCDRO COc1cccc(C[NH+]2CCC(Oc3ccncc3C)CC2)c1O ZINC000278787131 455848252 /nfs/dbraw/zinc/84/82/52/455848252.db2.gz WGQHEOZQLZHYJV-UHFFFAOYSA-N 1 0 328.412 3.148 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+]([C@H](C)CO)C3CCCC3)cc2)CC1 ZINC000295793248 455859620 /nfs/dbraw/zinc/85/96/20/455859620.db2.gz RRZNSRQIBUQUSX-QGZVFWFLSA-N 1 0 346.515 3.427 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccnc1OCCOC)c1ccc(C)cc1O ZINC000280007509 455880655 /nfs/dbraw/zinc/88/06/55/455880655.db2.gz GMBNTVYYRDBBOO-KRWDZBQOSA-N 1 0 330.428 3.362 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(O)c1 ZINC000194862901 455892814 /nfs/dbraw/zinc/89/28/14/455892814.db2.gz FGAYLFLQWPGIIC-AWEZNQCLSA-N 1 0 344.430 3.343 20 10 EGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC000280164517 455907076 /nfs/dbraw/zinc/90/70/76/455907076.db2.gz BEDQIWRZXRXJTM-MOPGFXCFSA-N 1 0 334.504 3.048 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000187514933 455919355 /nfs/dbraw/zinc/91/93/55/455919355.db2.gz ORXGDTRUDFLUJO-LJQANCHMSA-N 1 0 325.387 3.452 20 10 EGCDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000272362090 455925006 /nfs/dbraw/zinc/92/50/06/455925006.db2.gz SFQSDCFXZSWEPM-UHFFFAOYSA-N 1 0 342.439 3.260 20 10 EGCDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280302642 455941169 /nfs/dbraw/zinc/94/11/69/455941169.db2.gz OHGDFQZMGYMMGO-RKFFSXRUSA-N 1 0 336.423 3.018 20 10 EGCDRO COc1ccc(N2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)cc1F ZINC000286193922 455997488 /nfs/dbraw/zinc/99/74/88/455997488.db2.gz AHSFOLGKRYQNCF-LJQANCHMSA-N 1 0 344.430 3.080 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)c(C(F)(F)F)c1 ZINC000280620442 456015386 /nfs/dbraw/zinc/01/53/86/456015386.db2.gz KZJFBCXCPBLCSY-HSZRJFAPSA-N 1 0 348.434 3.162 20 10 EGCDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)n1-c1cccc(Cl)c1 ZINC000262492722 456040672 /nfs/dbraw/zinc/04/06/72/456040672.db2.gz AFLOGGGXZLKZKB-UHFFFAOYSA-N 1 0 331.847 3.229 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccccc1O ZINC000287449203 456068987 /nfs/dbraw/zinc/06/89/87/456068987.db2.gz UXVKWGJJBGMOLB-CRAIPNDOSA-N 1 0 342.439 3.443 20 10 EGCDRO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H](c1ccccc1)[NH+](C)C ZINC000288150279 456088574 /nfs/dbraw/zinc/08/85/74/456088574.db2.gz NVJNQGQCJSSLAX-DNVCBOLYSA-N 1 0 341.455 3.225 20 10 EGCDRO COc1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c(C)c1OC ZINC000288525698 456098299 /nfs/dbraw/zinc/09/82/99/456098299.db2.gz VEMCYUGEVNEUJX-GFCCVEGCSA-N 1 0 345.395 3.297 20 10 EGCDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)ccc1O ZINC000281110336 456137277 /nfs/dbraw/zinc/13/72/77/456137277.db2.gz RNUJZDOJCSAMQX-OVWNDWIMSA-N 1 0 346.290 3.107 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)c(O)c1 ZINC000289762159 456140332 /nfs/dbraw/zinc/14/03/32/456140332.db2.gz RAYJBRVWKTXJGT-MRXNPFEDSA-N 1 0 334.460 3.062 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC000272999430 456140693 /nfs/dbraw/zinc/14/06/93/456140693.db2.gz YXOAOQDOUAPZSG-CVEARBPZSA-N 1 0 332.444 3.366 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c(O)c1 ZINC000263666612 456187140 /nfs/dbraw/zinc/18/71/40/456187140.db2.gz IWDRECZKOLBGOZ-INIZCTEOSA-N 1 0 328.412 3.449 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273363779 456225348 /nfs/dbraw/zinc/22/53/48/456225348.db2.gz DPLCVRZCPHVLCB-UKRRQHHQSA-N 1 0 333.403 3.042 20 10 EGCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000281407699 456225566 /nfs/dbraw/zinc/22/55/66/456225566.db2.gz PZQRIENIZMYLTJ-UHFFFAOYSA-N 1 0 346.450 3.038 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1O ZINC000274316489 456255039 /nfs/dbraw/zinc/25/50/39/456255039.db2.gz WMTCQEMKXXBJSV-MAUKXSAKSA-N 1 0 326.440 3.011 20 10 EGCDRO C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000297791853 456296195 /nfs/dbraw/zinc/29/61/95/456296195.db2.gz QAFTVUVMDSCAEX-IBGZPJMESA-N 1 0 340.467 3.152 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc([C@H](C)O)s2)cc1F ZINC000290406293 456319380 /nfs/dbraw/zinc/31/93/80/456319380.db2.gz PVFOTVMBPWMZNC-LBPRGKRZSA-N 1 0 337.464 3.472 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc1 ZINC000275828103 456324752 /nfs/dbraw/zinc/32/47/52/456324752.db2.gz FNOZOFDKJGKMLA-INIZCTEOSA-N 1 0 341.503 3.494 20 10 EGCDRO COc1cccc(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)c1O ZINC000290632541 456388784 /nfs/dbraw/zinc/38/87/84/456388784.db2.gz YBPZVOBNXCQMTD-UHFFFAOYSA-N 1 0 340.467 3.497 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000276399292 456469022 /nfs/dbraw/zinc/46/90/22/456469022.db2.gz DAKUTFYGEZXJIS-UHFFFAOYSA-N 1 0 339.439 3.106 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000290999137 456491302 /nfs/dbraw/zinc/49/13/02/456491302.db2.gz VUEKHZNPSUDCEE-HNNXBMFYSA-N 1 0 335.835 3.478 20 10 EGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C(N)=O)c1 ZINC000298682460 456515502 /nfs/dbraw/zinc/51/55/02/456515502.db2.gz APZSRVADXBNQAY-UHFFFAOYSA-N 1 0 325.456 3.262 20 10 EGCDRO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1O ZINC000283145517 456721014 /nfs/dbraw/zinc/72/10/14/456721014.db2.gz XCQKMHNYASFRHT-KRWDZBQOSA-N 1 0 325.412 3.097 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccccc1O ZINC000359990597 457189377 /nfs/dbraw/zinc/18/93/77/457189377.db2.gz BXWMEIMJRBIPQQ-RGIVZKHGSA-N 1 0 336.435 3.200 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cc2c(cc1O)CCCC2 ZINC000369901172 457451890 /nfs/dbraw/zinc/45/18/90/457451890.db2.gz FJZKMQPUUVLWLK-VHFSOBRXSA-N 1 0 331.456 3.260 20 10 EGCDRO CCOC1CC(CC[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000364521964 457631732 /nfs/dbraw/zinc/63/17/32/457631732.db2.gz ZGFFLOXOXSVKDJ-UHFFFAOYSA-N 1 0 332.488 3.459 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425897313 457649301 /nfs/dbraw/zinc/64/93/01/457649301.db2.gz TWYCYRMEUNIQSX-UHFFFAOYSA-N 1 0 338.455 3.232 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000368036114 458006997 /nfs/dbraw/zinc/00/69/97/458006997.db2.gz IDWWKEDDOBLWCQ-HSALFYBXSA-N 1 0 339.435 3.405 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[N@H+](C)C(C)C)c2C)cc1 ZINC000726197871 574545038 /nfs/dbraw/zinc/54/50/38/574545038.db2.gz TZWSWLXNPFVNAD-UHFFFAOYSA-N 1 0 343.471 3.173 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)c1O ZINC000726797539 574572015 /nfs/dbraw/zinc/57/20/15/574572015.db2.gz LCVAAGYBPUFLKC-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO C[C@H]1CCc2c(sc(=O)n2CN(C)Cc2ccc(N(C)C)cc2)C1 ZINC000728040817 574713663 /nfs/dbraw/zinc/71/36/63/574713663.db2.gz IXPDVXCHFDPAMV-AWEZNQCLSA-N 1 0 345.512 3.190 20 10 EGCDRO Fc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1F ZINC000730817202 575023778 /nfs/dbraw/zinc/02/37/78/575023778.db2.gz OVBIICFGCUQKAM-UHFFFAOYSA-N 1 0 336.357 3.230 20 10 EGCDRO CC(=O)Nc1cccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000732411167 575268315 /nfs/dbraw/zinc/26/83/15/575268315.db2.gz QPLXBXZCWOLJGY-UHFFFAOYSA-N 1 0 341.455 3.222 20 10 EGCDRO Oc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000734843929 575559312 /nfs/dbraw/zinc/55/93/12/575559312.db2.gz SYLBDVIRCHMASA-GDBMZVCRSA-N 1 0 325.330 3.016 20 10 EGCDRO CC[NH+](CC)CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743503143 576810649 /nfs/dbraw/zinc/81/06/49/576810649.db2.gz HMSITIZUSZZPRR-UHFFFAOYSA-N 1 0 348.491 3.407 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1 ZINC000743553438 576811905 /nfs/dbraw/zinc/81/19/05/576811905.db2.gz LCXSOUAZJKBRDT-IBGZPJMESA-N 1 0 346.519 3.159 20 10 EGCDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000743854184 576817030 /nfs/dbraw/zinc/81/70/30/576817030.db2.gz OEZHQYIJTYICLE-YVWKXTFCSA-N 1 0 343.515 3.364 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC(C)(C)CC)cc2F)CC1 ZINC000744505992 576830137 /nfs/dbraw/zinc/83/01/37/576830137.db2.gz KGEQBGONCCKSND-UHFFFAOYSA-N 1 0 349.494 3.410 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000744798643 576834680 /nfs/dbraw/zinc/83/46/80/576834680.db2.gz LYXNGQYQSNWLED-OAHLLOKOSA-N 1 0 325.456 3.166 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000744798642 576834710 /nfs/dbraw/zinc/83/47/10/576834710.db2.gz LYXNGQYQSNWLED-HNNXBMFYSA-N 1 0 325.456 3.166 20 10 EGCDRO CC[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(N(C)C)cc1 ZINC000825434660 608495326 /nfs/dbraw/zinc/49/53/26/608495326.db2.gz CZXKAWWBQPYDEW-UHFFFAOYSA-N 1 0 342.472 3.016 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)OC)cc1Cn1cccn1 ZINC000873062415 1297255637 /nfs/dbraw/zinc/25/56/37/1297255637.db2.gz QKNDVYGXMOEMEG-HNNXBMFYSA-N 1 0 331.460 3.233 20 10 EGCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000767426956 1302672404 /nfs/dbraw/zinc/67/24/04/1302672404.db2.gz WMCVVHWTBIZELC-MRXNPFEDSA-N 1 0 348.240 3.207 20 10 EGCDRO CN(CC(=O)Nc1ccccc1Br)Cc1ccc(N)cc1 ZINC000035360473 1291392513 /nfs/dbraw/zinc/39/25/13/1291392513.db2.gz ZMLRYKABZPMWOG-UHFFFAOYSA-N 1 0 348.244 3.102 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000827839086 1292384677 /nfs/dbraw/zinc/38/46/77/1292384677.db2.gz OUXSNZYXRYMSJZ-OAHLLOKOSA-N 1 0 325.330 3.195 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCc1ccccc1F ZINC000076074349 1292419144 /nfs/dbraw/zinc/41/91/44/1292419144.db2.gz DVMHHNZQRHIIGI-HNNXBMFYSA-N 1 0 344.430 3.448 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C(C)(C)O)cc2)CC1 ZINC000828428503 1292462442 /nfs/dbraw/zinc/46/24/42/1292462442.db2.gz LZUDNITXQOWVBE-IBGZPJMESA-N 1 0 332.488 3.037 20 10 EGCDRO C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[C@H]([NH3+])c1ccccc1 ZINC000830597433 1292739650 /nfs/dbraw/zinc/73/96/50/1292739650.db2.gz IIJVZPUOPYUVIY-XOBRGWDASA-N 1 0 338.451 3.223 20 10 EGCDRO CC[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000089546030 1292772582 /nfs/dbraw/zinc/77/25/82/1292772582.db2.gz QQMLCPANUJOVHK-LJQANCHMSA-N 1 0 325.456 3.135 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)C[C@H]1CCCO1 ZINC000092406957 1292867238 /nfs/dbraw/zinc/86/72/38/1292867238.db2.gz TYHWWFJRVRQKNC-CYBMUJFWSA-N 1 0 344.249 3.164 20 10 EGCDRO CCC(CC)[N@H+](CCOC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092565900 1292875725 /nfs/dbraw/zinc/87/57/25/1292875725.db2.gz SHNXSDPHFANTPA-UHFFFAOYSA-N 1 0 338.467 3.299 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)cc2)CC1 ZINC000831534852 1292878473 /nfs/dbraw/zinc/87/84/73/1292878473.db2.gz SCMPRVDWPWLMPV-UZLBHIALSA-N 1 0 332.488 3.159 20 10 EGCDRO Cc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1Cl ZINC000832265903 1292977901 /nfs/dbraw/zinc/97/79/01/1292977901.db2.gz BGAWMHQQMJHJJD-INIZCTEOSA-N 1 0 331.847 3.144 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1Cl ZINC000832266229 1292978021 /nfs/dbraw/zinc/97/80/21/1292978021.db2.gz DJWSLTAQWWOIDP-KRWDZBQOSA-N 1 0 331.847 3.144 20 10 EGCDRO Cc1ccc(C[C@H](C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832267236 1292979958 /nfs/dbraw/zinc/97/99/58/1292979958.db2.gz OPTUWGJRCCINHN-JXFKEZNVSA-N 1 0 339.483 3.056 20 10 EGCDRO C/C(=C/C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000832281708 1292980912 /nfs/dbraw/zinc/98/09/12/1292980912.db2.gz VRPRVBPCWKDVGZ-IFMUVIIVSA-N 1 0 341.430 3.111 20 10 EGCDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000834522427 1293110318 /nfs/dbraw/zinc/11/03/18/1293110318.db2.gz CTZYKGOUVZZXTL-RDJZCZTQSA-N 1 0 331.504 3.303 20 10 EGCDRO O=C(c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1)N1CCCC1 ZINC000834537826 1293113817 /nfs/dbraw/zinc/11/38/17/1293113817.db2.gz KPRBXZGMDBIBQJ-GOSISDBHSA-N 1 0 336.435 3.405 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000834775321 1293145900 /nfs/dbraw/zinc/14/59/00/1293145900.db2.gz YUILSBRKPFRLOY-IOASZLSFSA-N 1 0 329.362 3.453 20 10 EGCDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)c(C)n1-c1ccccc1C ZINC000834829474 1293154695 /nfs/dbraw/zinc/15/46/95/1293154695.db2.gz CHIYVKZLNULVQP-OAHLLOKOSA-N 1 0 335.398 3.115 20 10 EGCDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834855928 1293157710 /nfs/dbraw/zinc/15/77/10/1293157710.db2.gz IBWGISUYDGGQAU-QMTMVMCOSA-N 1 0 338.467 3.374 20 10 EGCDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834876552 1293161920 /nfs/dbraw/zinc/16/19/20/1293161920.db2.gz CMIQRXWPRXPIQP-GJZGRUSLSA-N 1 0 340.895 3.378 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000834882994 1293163868 /nfs/dbraw/zinc/16/38/68/1293163868.db2.gz FWKBOWNCKMVPIZ-OAHLLOKOSA-N 1 0 346.496 3.397 20 10 EGCDRO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(N2CCCCC2)cc1 ZINC000834890517 1293165625 /nfs/dbraw/zinc/16/56/25/1293165625.db2.gz KNLKFLZKHQDBBC-UIFIKXQLSA-N 1 0 343.515 3.191 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000834898221 1293169107 /nfs/dbraw/zinc/16/91/07/1293169107.db2.gz KJNINFQCBJFCRM-XAUMDUMWSA-N 1 0 342.487 3.447 20 10 EGCDRO CNC(=O)C[C@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000834898648 1293169188 /nfs/dbraw/zinc/16/91/88/1293169188.db2.gz APUBVGYCFAIKAL-YJBOKZPZSA-N 1 0 326.440 3.180 20 10 EGCDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(Br)cc2O)cn1 ZINC000834908075 1293172918 /nfs/dbraw/zinc/17/29/18/1293172918.db2.gz GSDCRWQQAGIITF-LLVKDONJSA-N 1 0 336.233 3.146 20 10 EGCDRO Cc1noc(C)c1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000119333606 1293265538 /nfs/dbraw/zinc/26/55/38/1293265538.db2.gz ITXNZEURXAMUOY-QGZVFWFLSA-N 1 0 330.428 3.221 20 10 EGCDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000123864376 1293458765 /nfs/dbraw/zinc/45/87/65/1293458765.db2.gz CBWLYMBFPYRHAA-ZDUSSCGKSA-N 1 0 338.879 3.420 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)ccc1N1CCOCC1 ZINC000127404803 1293562486 /nfs/dbraw/zinc/56/24/86/1293562486.db2.gz GQWBWSQFKSIJMN-LJQANCHMSA-N 1 0 329.419 3.328 20 10 EGCDRO CC[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000129250474 1293618066 /nfs/dbraw/zinc/61/80/66/1293618066.db2.gz YFANMKASIYUHPB-HXUWFJFHSA-N 1 0 339.483 3.500 20 10 EGCDRO C[C@@H]([NH2+]CCc1cccnc1)c1ccc(N2CCOCC2)cc1Cl ZINC000133474204 1293745375 /nfs/dbraw/zinc/74/53/75/1293745375.db2.gz POTZEKVDCHTTQY-OAHLLOKOSA-N 1 0 345.874 3.465 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000133896119 1293756258 /nfs/dbraw/zinc/75/62/58/1293756258.db2.gz ZRCVJDCZRMIOFA-OAHLLOKOSA-N 1 0 343.446 3.281 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[C@@H](C)N1CCOCC1 ZINC000133953897 1293757920 /nfs/dbraw/zinc/75/79/20/1293757920.db2.gz KPDYSSJNBCHIEX-CEXWTWQISA-N 1 0 345.531 3.437 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc2c(cc1O)OCO2 ZINC000156848109 1294161601 /nfs/dbraw/zinc/16/16/01/1294161601.db2.gz VAVOQPLIPUEWLO-UHFFFAOYSA-N 1 0 328.412 3.209 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cccc2c[nH]nc21)C[C@H]1CCCO1 ZINC000160181260 1294260930 /nfs/dbraw/zinc/26/09/30/1294260930.db2.gz OQAPFORZSGCCSW-GOSISDBHSA-N 1 0 337.423 3.450 20 10 EGCDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164274548 1294346384 /nfs/dbraw/zinc/34/63/84/1294346384.db2.gz VQXWLEQBPXRYHN-MRXNPFEDSA-N 1 0 332.488 3.368 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1O ZINC000164606885 1294351755 /nfs/dbraw/zinc/35/17/55/1294351755.db2.gz JNZAWXUEJLOZRZ-OAQYLSRUSA-N 1 0 339.435 3.383 20 10 EGCDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710725 1294751325 /nfs/dbraw/zinc/75/13/25/1294751325.db2.gz AUJMYXZVMQMIAJ-MOPGFXCFSA-N 1 0 329.488 3.201 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000178891694 1294759721 /nfs/dbraw/zinc/75/97/21/1294759721.db2.gz NGBNCIUPFWAJHR-CQSZACIVSA-N 1 0 349.471 3.283 20 10 EGCDRO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1O ZINC000179573081 1294806271 /nfs/dbraw/zinc/80/62/71/1294806271.db2.gz PMZFAIJUEXSBIL-UHFFFAOYSA-N 1 0 335.350 3.236 20 10 EGCDRO COc1cc(OC)cc(OCCC[NH2+]Cc2cc(F)ccc2O)c1 ZINC000180838483 1294919732 /nfs/dbraw/zinc/91/97/32/1294919732.db2.gz IMEAANRFJHZEGU-UHFFFAOYSA-N 1 0 335.375 3.107 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1nccn1C ZINC000182495303 1295053285 /nfs/dbraw/zinc/05/32/85/1295053285.db2.gz FIGJJGKWHOWKQF-QGZVFWFLSA-N 1 0 330.501 3.214 20 10 EGCDRO Cc1cc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c(C)s1 ZINC000182756413 1295072183 /nfs/dbraw/zinc/07/21/83/1295072183.db2.gz PZZCFTDBVIUQBK-CQSZACIVSA-N 1 0 345.512 3.398 20 10 EGCDRO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182888853 1295082167 /nfs/dbraw/zinc/08/21/67/1295082167.db2.gz VLDOSIAPEUKYCC-HOTGVXAUSA-N 1 0 345.487 3.187 20 10 EGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184800342 1295220344 /nfs/dbraw/zinc/22/03/44/1295220344.db2.gz WQIMJWBKJHWPQN-IBGZPJMESA-N 1 0 340.467 3.497 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000185188059 1295247020 /nfs/dbraw/zinc/24/70/20/1295247020.db2.gz WKGSGVNCTKOAMJ-MRXNPFEDSA-N 1 0 326.440 3.388 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000185188079 1295247101 /nfs/dbraw/zinc/24/71/01/1295247101.db2.gz WKGSGVNCTKOAMJ-INIZCTEOSA-N 1 0 326.440 3.388 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000185855190 1295291087 /nfs/dbraw/zinc/29/10/87/1295291087.db2.gz UGEFPZZEUJXXLF-STQMWFEESA-N 1 0 346.377 3.435 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CCOCC1 ZINC000187988083 1295428817 /nfs/dbraw/zinc/42/88/17/1295428817.db2.gz IROMLAZMUDFDDB-OAQYLSRUSA-N 1 0 346.515 3.454 20 10 EGCDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000191719843 1295704601 /nfs/dbraw/zinc/70/46/01/1295704601.db2.gz MMTNKUQSBDBSRK-HRAATJIYSA-N 1 0 325.452 3.341 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000193849136 1295920832 /nfs/dbraw/zinc/92/08/32/1295920832.db2.gz JNONPQBGFLZVHX-UHFFFAOYSA-N 1 0 346.519 3.157 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)c2C)cc1 ZINC000237505911 1296248488 /nfs/dbraw/zinc/24/84/88/1296248488.db2.gz GUFUICZSXJDQBL-BBRMVZONSA-N 1 0 341.455 3.055 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)c(C)n1-c1cccc(Cl)c1 ZINC000237734883 1296260350 /nfs/dbraw/zinc/26/03/50/1296260350.db2.gz DGCWODJFTDBQPX-QGZVFWFLSA-N 1 0 331.847 3.215 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)c2c1 ZINC000246740752 1296368332 /nfs/dbraw/zinc/36/83/32/1296368332.db2.gz GRPPYQMIYFILPU-IEBWSBKVSA-N 1 0 345.464 3.260 20 10 EGCDRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c(C)n1-c1cccc(Cl)c1 ZINC000262587046 1296641648 /nfs/dbraw/zinc/64/16/48/1296641648.db2.gz WRPKXKFSCOHVNQ-HNNXBMFYSA-N 1 0 345.874 3.477 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1C ZINC000873022865 1297230629 /nfs/dbraw/zinc/23/06/29/1297230629.db2.gz FFEYNGPMZILMSL-UHFFFAOYSA-N 1 0 347.480 3.477 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000327160764 1297245238 /nfs/dbraw/zinc/24/52/38/1297245238.db2.gz HRWPFBNGNSYPMD-UZLBHIALSA-N 1 0 339.483 3.437 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1Cn1cccn1 ZINC000873100459 1297272917 /nfs/dbraw/zinc/27/29/17/1297272917.db2.gz UVTRQJYPOMWUAB-ICSRJNTNSA-N 1 0 343.471 3.233 20 10 EGCDRO COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1Cn1cccn1 ZINC000873107874 1297274622 /nfs/dbraw/zinc/27/46/22/1297274622.db2.gz RLJGUPLAVBMYRK-UHFFFAOYSA-N 1 0 333.435 3.197 20 10 EGCDRO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386334864 1297590364 /nfs/dbraw/zinc/59/03/64/1297590364.db2.gz MUKLKZXLJFNGBM-NVXWUHKLSA-N 1 0 338.455 3.301 20 10 EGCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000387473394 1297596423 /nfs/dbraw/zinc/59/64/23/1297596423.db2.gz TXWBABBCCJPYBA-GFCCVEGCSA-N 1 0 326.412 3.266 20 10 EGCDRO CO[C@@](C)(C[NH2+]Cc1cc(C)ccc1O)COCc1ccccc1 ZINC000705681637 1298216616 /nfs/dbraw/zinc/21/66/16/1298216616.db2.gz UGVZSMSZSNHYFB-FQEVSTJZSA-N 1 0 329.440 3.412 20 10 EGCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Br)[C@@H]2COC[C@@H]21 ZINC000707129727 1298225458 /nfs/dbraw/zinc/22/54/58/1298225458.db2.gz MUYRRRWQIOZWCH-WCQYABFASA-N 1 0 326.234 3.012 20 10 EGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)C12CCC2 ZINC000713460023 1298269255 /nfs/dbraw/zinc/26/92/55/1298269255.db2.gz OVFSJTYANKZURT-UONOGXRCSA-N 1 0 326.234 3.202 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1O ZINC000716287204 1298298411 /nfs/dbraw/zinc/29/84/11/1298298411.db2.gz DHSZSECTDCDGOG-QGZVFWFLSA-N 1 0 346.858 3.418 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]CCN1CCc2ccccc21 ZINC000725848956 1298373560 /nfs/dbraw/zinc/37/35/60/1298373560.db2.gz DTAQOFKBBHEJTL-UHFFFAOYSA-N 1 0 347.256 3.307 20 10 EGCDRO CCOc1ccc(C[NH2+]CCN2CCCc3ccccc32)c(O)c1 ZINC000725849673 1298374969 /nfs/dbraw/zinc/37/49/69/1298374969.db2.gz UHCFMCDZBZAUSN-UHFFFAOYSA-N 1 0 326.440 3.333 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C\CCc2ccccc2)cc1 ZINC000876506641 1298798407 /nfs/dbraw/zinc/79/84/07/1298798407.db2.gz NABLBEGKHCEIGA-RVPHRTOXSA-N 1 0 337.467 3.058 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876531426 1298807669 /nfs/dbraw/zinc/80/76/69/1298807669.db2.gz FXVNMDYELVNSMO-UHFFFAOYSA-N 1 0 340.467 3.288 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876532746 1298809923 /nfs/dbraw/zinc/80/99/23/1298809923.db2.gz LUDCYVDVOYGNFR-UHFFFAOYSA-N 1 0 340.467 3.288 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000876536263 1298811902 /nfs/dbraw/zinc/81/19/02/1298811902.db2.gz XDGVAAYKMIULBO-OAHLLOKOSA-N 1 0 342.405 3.422 20 10 EGCDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876546254 1298817969 /nfs/dbraw/zinc/81/79/69/1298817969.db2.gz UOAMCVFCNWLELR-NRFANRHFSA-N 1 0 339.483 3.323 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c(O)c1 ZINC000876568287 1298835438 /nfs/dbraw/zinc/83/54/38/1298835438.db2.gz WURPMUJKWCWHHA-UHFFFAOYSA-N 1 0 342.414 3.234 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1Cc2ccccc2C1 ZINC000876633614 1298883019 /nfs/dbraw/zinc/88/30/19/1298883019.db2.gz DBPTXQBAXXHAAT-UHFFFAOYSA-N 1 0 336.479 3.247 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000876970652 1299095158 /nfs/dbraw/zinc/09/51/58/1299095158.db2.gz WMOKPZPVLPCGCA-IBGZPJMESA-N 1 0 340.423 3.108 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876994429 1299105364 /nfs/dbraw/zinc/10/53/64/1299105364.db2.gz IKYSWAAVFHDSHW-UHFFFAOYSA-N 1 0 334.460 3.437 20 10 EGCDRO CN(C)c1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877016440 1299115108 /nfs/dbraw/zinc/11/51/08/1299115108.db2.gz GKOBUGNFXSVEQL-UHFFFAOYSA-N 1 0 339.483 3.004 20 10 EGCDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877019564 1299116082 /nfs/dbraw/zinc/11/60/82/1299116082.db2.gz ZMHNJUFRKFLQIQ-MRXNPFEDSA-N 1 0 340.467 3.074 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCCc3cccs3)cc2)CC1 ZINC000877121496 1299167954 /nfs/dbraw/zinc/16/79/54/1299167954.db2.gz QSCXAVCQSWEKGL-UHFFFAOYSA-N 1 0 330.497 3.432 20 10 EGCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877353245 1299258363 /nfs/dbraw/zinc/25/83/63/1299258363.db2.gz OEZVBWVGWQVTMF-CQSZACIVSA-N 1 0 330.394 3.468 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000877502269 1299351423 /nfs/dbraw/zinc/35/14/23/1299351423.db2.gz DHZNKDJRCXMDAO-IBGZPJMESA-N 1 0 334.460 3.437 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)c(O)c1 ZINC000877576045 1299410784 /nfs/dbraw/zinc/41/07/84/1299410784.db2.gz DFYPVHLAANBDCV-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CC(Cc4ccccc4)C3)cc2)CC1 ZINC000877578896 1299412463 /nfs/dbraw/zinc/41/24/63/1299412463.db2.gz QDOFHQQJGVKVIQ-UHFFFAOYSA-N 1 0 336.479 3.322 20 10 EGCDRO CC[C@@H]1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](CC)O1 ZINC000877594097 1299419037 /nfs/dbraw/zinc/41/90/37/1299419037.db2.gz BJKIJDJWCPHQLX-WOJBJXKFSA-N 1 0 332.488 3.037 20 10 EGCDRO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](CC)O1 ZINC000877594095 1299419352 /nfs/dbraw/zinc/41/93/52/1299419352.db2.gz BJKIJDJWCPHQLX-BGYRXZFFSA-N 1 0 332.488 3.037 20 10 EGCDRO C[C@@H]1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)C1(F)F ZINC000877651647 1299456547 /nfs/dbraw/zinc/45/65/47/1299456547.db2.gz ZKHYAWJPGSAUNU-HUUCEWRRSA-N 1 0 338.442 3.371 20 10 EGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000751598892 1299572446 /nfs/dbraw/zinc/57/24/46/1299572446.db2.gz LLPVIDCDNHOPFW-KRWDZBQOSA-N 1 0 342.439 3.100 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCO1 ZINC000753660661 1300001664 /nfs/dbraw/zinc/00/16/64/1300001664.db2.gz AMQVKDRFWUADDN-QANKJYHBSA-N 1 0 338.879 3.167 20 10 EGCDRO CCCC[N@H+](CC(=O)Nc1ccnn1CCC)Cc1ccccc1O ZINC000878564934 1300079917 /nfs/dbraw/zinc/07/99/17/1300079917.db2.gz GIJVDGITUXIFJH-UHFFFAOYSA-N 1 0 344.459 3.240 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCCCC2=O)c2c1c(F)ccc2O ZINC000756370387 1300478471 /nfs/dbraw/zinc/47/84/71/1300478471.db2.gz GGDUFXFPNODKPI-UKRRQHHQSA-N 1 0 334.435 3.462 20 10 EGCDRO CNC(=O)c1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756396976 1300483010 /nfs/dbraw/zinc/48/30/10/1300483010.db2.gz QXNCEIAXSFUYIM-NHYWBVRUSA-N 1 0 328.387 3.229 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)c1 ZINC000756397244 1300483207 /nfs/dbraw/zinc/48/32/07/1300483207.db2.gz PVQJXLAATYVUDI-SFHVURJKSA-N 1 0 339.483 3.173 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2c1c(F)ccc2O ZINC000756398682 1300484264 /nfs/dbraw/zinc/48/42/64/1300484264.db2.gz XPTHYFZEXYJWTD-TZMCWYRMSA-N 1 0 344.434 3.230 20 10 EGCDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756494299 1300506313 /nfs/dbraw/zinc/50/63/13/1300506313.db2.gz LIEAGYMBSLUYQW-MNOVXSKESA-N 1 0 336.233 3.227 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c(O)c1C ZINC000756657285 1300542291 /nfs/dbraw/zinc/54/22/91/1300542291.db2.gz CVJOYHZILKETBC-WDSOQIARSA-N 1 0 332.488 3.303 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Br)cc1O ZINC000756776841 1300564990 /nfs/dbraw/zinc/56/49/90/1300564990.db2.gz SIKIFYYGAWLSGV-CBAPKCEASA-N 1 0 342.155 3.119 20 10 EGCDRO OC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000756993758 1300606448 /nfs/dbraw/zinc/60/64/48/1300606448.db2.gz FTQMMOCFWKDTJP-OAHLLOKOSA-N 1 0 325.330 3.462 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1O ZINC000879647736 1300648254 /nfs/dbraw/zinc/64/82/54/1300648254.db2.gz JPQZSGPGLNACOC-LLVKDONJSA-N 1 0 338.860 3.416 20 10 EGCDRO Oc1cccc2c1C[C@H]([NH2+]Cc1cc(Br)ccc1O)C2 ZINC000758547915 1300909105 /nfs/dbraw/zinc/90/91/05/1300909105.db2.gz ZGPLGISBWOCRQG-CYBMUJFWSA-N 1 0 334.213 3.117 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1 ZINC000761225300 1301424036 /nfs/dbraw/zinc/42/40/36/1301424036.db2.gz CGKZLUUDIMQLSR-UHFFFAOYSA-N 1 0 343.515 3.366 20 10 EGCDRO O=C1O[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CC12CC2 ZINC000763732825 1301952846 /nfs/dbraw/zinc/95/28/46/1301952846.db2.gz WGRWUPACOZDBFN-MRXNPFEDSA-N 1 0 327.380 3.083 20 10 EGCDRO CC[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[NH+](C)C ZINC000764386070 1302055414 /nfs/dbraw/zinc/05/54/14/1302055414.db2.gz HCUJZGJICVJLGA-IBGZPJMESA-N 1 0 331.504 3.412 20 10 EGCDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000764641089 1302107849 /nfs/dbraw/zinc/10/78/49/1302107849.db2.gz ZWCUBHMHBFRJNP-OAHLLOKOSA-N 1 0 347.478 3.478 20 10 EGCDRO C[C@@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000764948870 1302173617 /nfs/dbraw/zinc/17/36/17/1302173617.db2.gz JEXPEPQUMLCBQH-GUDVDZBRSA-N 1 0 345.531 3.152 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccsc1 ZINC000765252838 1302229966 /nfs/dbraw/zinc/22/99/66/1302229966.db2.gz JFHMXFHAPPZQSU-GOEBONIOSA-N 1 0 343.496 3.301 20 10 EGCDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765255484 1302230928 /nfs/dbraw/zinc/23/09/28/1302230928.db2.gz QVUKODWBBBWWJN-JFIYKMOQSA-N 1 0 343.515 3.303 20 10 EGCDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000765807915 1302333051 /nfs/dbraw/zinc/33/30/51/1302333051.db2.gz HALDLIBSVBNRHK-RBUKOAKNSA-N 1 0 332.488 3.205 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)ccc1OC ZINC000766222344 1302412206 /nfs/dbraw/zinc/41/22/06/1302412206.db2.gz FQZGZLXHPWBSHB-IBGZPJMESA-N 1 0 332.488 3.338 20 10 EGCDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440894 1302902668 /nfs/dbraw/zinc/90/26/68/1302902668.db2.gz VBPRHQZEDBPCQC-SFHVURJKSA-N 1 0 331.387 3.369 20 10 EGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768442005 1302903530 /nfs/dbraw/zinc/90/35/30/1302903530.db2.gz NFADTPHSOIZIFT-IEBWSBKVSA-N 1 0 341.407 3.164 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768440898 1302904294 /nfs/dbraw/zinc/90/42/94/1302904294.db2.gz APRGJHKWUJQXPB-IEBWSBKVSA-N 1 0 325.408 3.401 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(OC3CCCCC3)CC1)[C@H](O)CO2 ZINC000768443102 1302904342 /nfs/dbraw/zinc/90/43/42/1302904342.db2.gz AJAJZUMCEOVLAO-LJQANCHMSA-N 1 0 347.455 3.132 20 10 EGCDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768447720 1302906846 /nfs/dbraw/zinc/90/68/46/1302906846.db2.gz PBNUZENHWHSNRI-QGZVFWFLSA-N 1 0 333.815 3.146 20 10 EGCDRO CCCNC(=O)C[N@H+](CCC)Cc1ccc(N2CCCCC2)cc1 ZINC000768931271 1303015772 /nfs/dbraw/zinc/01/57/72/1303015772.db2.gz SFHVBMWZXBZERX-UHFFFAOYSA-N 1 0 331.504 3.415 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000769262609 1303083009 /nfs/dbraw/zinc/08/30/09/1303083009.db2.gz ZTMLVHHDPWBYLV-QGZVFWFLSA-N 1 0 333.476 3.194 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCO1 ZINC000769319714 1303092298 /nfs/dbraw/zinc/09/22/98/1303092298.db2.gz XXAFLOAGTKTZHI-HNNXBMFYSA-N 1 0 333.432 3.196 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(O)c1 ZINC000769386661 1303104002 /nfs/dbraw/zinc/10/40/02/1303104002.db2.gz DLXUCHKXGKACNK-OAHLLOKOSA-N 1 0 348.487 3.165 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)ccc1OC ZINC000769414571 1303109958 /nfs/dbraw/zinc/10/99/58/1303109958.db2.gz UDUWMQXTXUQNHI-GOSISDBHSA-N 1 0 349.471 3.050 20 10 EGCDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000769445402 1303114696 /nfs/dbraw/zinc/11/46/96/1303114696.db2.gz HRUNVZNYCLPERT-UHFFFAOYSA-N 1 0 344.842 3.065 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c(O)c1 ZINC000769454973 1303116979 /nfs/dbraw/zinc/11/69/79/1303116979.db2.gz CAFKZSMZAQCUOU-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c(O)ccc3ccncc31)CC2 ZINC000770652629 1303300221 /nfs/dbraw/zinc/30/02/21/1303300221.db2.gz UOXKGIYFWWSROG-UHFFFAOYSA-N 1 0 348.402 3.285 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000771055242 1303354632 /nfs/dbraw/zinc/35/46/32/1303354632.db2.gz BKRFBONDSNIUON-IXDOHACOSA-N 1 0 348.874 3.172 20 10 EGCDRO CC(C)[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771063301 1303355600 /nfs/dbraw/zinc/35/56/00/1303355600.db2.gz DZUPANCVPDKOTO-CZUORRHYSA-N 1 0 338.879 3.418 20 10 EGCDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325068 1303433783 /nfs/dbraw/zinc/43/37/83/1303433783.db2.gz RYTSMAVOYAQOSR-QFBILLFUSA-N 1 0 343.515 3.304 20 10 EGCDRO CN(C)c1ccc(C[N@H+](CC(=O)NC(C2CC2)C2CC2)C2CC2)cc1 ZINC000771790959 1303443387 /nfs/dbraw/zinc/44/33/87/1303443387.db2.gz KFMAJLFANIYKNH-UHFFFAOYSA-N 1 0 341.499 3.022 20 10 EGCDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747331 1303583105 /nfs/dbraw/zinc/58/31/05/1303583105.db2.gz QWQIQMHUCGQATE-SFHVURJKSA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000772949473 1303597931 /nfs/dbraw/zinc/59/79/31/1303597931.db2.gz BLZPKEUWMHXHQJ-HUUCEWRRSA-N 1 0 348.878 3.112 20 10 EGCDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773018357 1303609220 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COc1c(O)c(CN2CC[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774904783 1303875447 /nfs/dbraw/zinc/87/54/47/1303875447.db2.gz URSIUNXBAUDXQB-AWEZNQCLSA-N 1 0 332.331 3.395 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1O ZINC000775173870 1303919239 /nfs/dbraw/zinc/91/92/39/1303919239.db2.gz STVJQKSZEKYALP-OAHLLOKOSA-N 1 0 333.815 3.407 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000775190466 1303922204 /nfs/dbraw/zinc/92/22/04/1303922204.db2.gz CPAFIGVDEOPFBO-UHFFFAOYSA-N 1 0 341.451 3.218 20 10 EGCDRO COc1cc2c(cc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1)OCO2 ZINC000775365670 1303947419 /nfs/dbraw/zinc/94/74/19/1303947419.db2.gz VXIWEWNILQJFBW-CYBMUJFWSA-N 1 0 328.412 3.341 20 10 EGCDRO C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000775407334 1303958431 /nfs/dbraw/zinc/95/84/31/1303958431.db2.gz SLBZRUDYUMWFQL-HNNXBMFYSA-N 1 0 325.456 3.305 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)c1ccccc1O ZINC000775414266 1303960879 /nfs/dbraw/zinc/96/08/79/1303960879.db2.gz GYNZDQXGEIROQL-WMZOPIPTSA-N 1 0 329.440 3.490 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1cc(Cl)ccc1O ZINC000775485201 1303970764 /nfs/dbraw/zinc/97/07/64/1303970764.db2.gz PXYCPSORLFIKOJ-WBVHZDCISA-N 1 0 340.895 3.443 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cc(Cl)ccc1O ZINC000775491717 1303972909 /nfs/dbraw/zinc/97/29/09/1303972909.db2.gz HXFPDMPQINSBPD-MRXNPFEDSA-N 1 0 336.863 3.487 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000775501027 1303975562 /nfs/dbraw/zinc/97/55/62/1303975562.db2.gz BMQAPQRJMMOHGT-XEZPLFJOSA-N 1 0 326.868 3.196 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000775655569 1304006870 /nfs/dbraw/zinc/00/68/70/1304006870.db2.gz GRXIFDTXJIGKRS-LJQANCHMSA-N 1 0 340.467 3.497 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CCO)C2)c1O ZINC000775681223 1304014445 /nfs/dbraw/zinc/01/44/45/1304014445.db2.gz NPZOISDCJVDGMD-LBPRGKRZSA-N 1 0 328.250 3.058 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775830698 1304045145 /nfs/dbraw/zinc/04/51/45/1304045145.db2.gz MMSIDBRZCGHWKU-OAFZBRQQSA-N 1 0 331.504 3.487 20 10 EGCDRO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775831358 1304045191 /nfs/dbraw/zinc/04/51/91/1304045191.db2.gz QYSVNNGHCUNSGJ-KRWDZBQOSA-N 1 0 339.483 3.370 20 10 EGCDRO C[C@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000775834478 1304046809 /nfs/dbraw/zinc/04/68/09/1304046809.db2.gz OYQVYHWGHJFTPV-LBPRGKRZSA-N 1 0 333.382 3.320 20 10 EGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000775837485 1304047603 /nfs/dbraw/zinc/04/76/03/1304047603.db2.gz SWXFDSNXQCYXTI-LBPRGKRZSA-N 1 0 333.382 3.320 20 10 EGCDRO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775836604 1304048044 /nfs/dbraw/zinc/04/80/44/1304048044.db2.gz ODBJVYKEORKVML-CYBMUJFWSA-N 1 0 345.409 3.203 20 10 EGCDRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000776239157 1304120003 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CSCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253044 1305000010 /nfs/dbraw/zinc/00/00/10/1305000010.db2.gz PNKOOLWTOVMTOC-KRWDZBQOSA-N 1 0 337.533 3.005 20 10 EGCDRO Cc1cc(F)ncc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000891468277 1305058983 /nfs/dbraw/zinc/05/89/83/1305058983.db2.gz UTHHXOSTZLXGCK-KRWDZBQOSA-N 1 0 330.403 3.416 20 10 EGCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000783221022 1305064629 /nfs/dbraw/zinc/06/46/29/1305064629.db2.gz DWIVWDRKJAHBAG-MLGOLLRUSA-N 1 0 328.378 3.430 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Br)ccc1O ZINC000783648058 1305123100 /nfs/dbraw/zinc/12/31/00/1305123100.db2.gz YADOZJAJYWIXPX-ZANVPECISA-N 1 0 326.190 3.132 20 10 EGCDRO CCc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](COC)C2)c(O)c(C(C)(C)C)c1 ZINC000783968027 1305169516 /nfs/dbraw/zinc/16/95/16/1305169516.db2.gz PYMCDXCOLXBQAK-RHSMWYFYSA-N 1 0 335.488 3.488 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(OC)ccc3C2)c1 ZINC000784623484 1305265557 /nfs/dbraw/zinc/26/55/57/1305265557.db2.gz KZTLBFBPQZBWCH-QGZVFWFLSA-N 1 0 327.424 3.447 20 10 EGCDRO CCn1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C)n1 ZINC000892612709 1305471117 /nfs/dbraw/zinc/47/11/17/1305471117.db2.gz MLPOEKKWXHQULS-UHFFFAOYSA-N 1 0 330.501 3.054 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)COc2cccc(C)c2)c(O)c1OC ZINC000892663487 1305493528 /nfs/dbraw/zinc/49/35/28/1305493528.db2.gz VVPWHQRDFBSMMH-AWEZNQCLSA-N 1 0 331.412 3.275 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786780820 1305627872 /nfs/dbraw/zinc/62/78/72/1305627872.db2.gz AJKMJYXIDQVNOS-HNNXBMFYSA-N 1 0 338.455 3.133 20 10 EGCDRO COc1cccc(C2([NH2+]Cc3ccc(OC)c(OC)c3O)CC2)c1 ZINC000893107838 1305711332 /nfs/dbraw/zinc/71/13/32/1305711332.db2.gz IJCYYNIUHDBURJ-UHFFFAOYSA-N 1 0 329.396 3.197 20 10 EGCDRO CCN1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC1=O ZINC000787236658 1305715241 /nfs/dbraw/zinc/71/52/41/1305715241.db2.gz UWPOKAQEUQTUQZ-UHFFFAOYSA-N 1 0 338.407 3.346 20 10 EGCDRO CCn1cccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)c1=O ZINC000788604793 1305980928 /nfs/dbraw/zinc/98/09/28/1305980928.db2.gz LKLIDELLVCYEHY-CQSZACIVSA-N 1 0 326.440 3.303 20 10 EGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)C1 ZINC000788983298 1306057585 /nfs/dbraw/zinc/05/75/85/1306057585.db2.gz CKEZHDPJWYHUBL-IEBWSBKVSA-N 1 0 341.499 3.201 20 10 EGCDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H](O)c1ccccc1 ZINC000894142604 1306242237 /nfs/dbraw/zinc/24/22/37/1306242237.db2.gz AWOAYQJKGMEPAZ-SJLPKXTDSA-N 1 0 345.439 3.401 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c(OC)c1OC ZINC000894191018 1306268311 /nfs/dbraw/zinc/26/83/11/1306268311.db2.gz AXPTXHKHWQVNFN-UHFFFAOYSA-N 1 0 347.411 3.025 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)c1O ZINC000894257793 1306305219 /nfs/dbraw/zinc/30/52/19/1306305219.db2.gz XXMHXGRDNVFOQA-OAHLLOKOSA-N 1 0 329.396 3.331 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCSC2)c1O ZINC000790485126 1306335682 /nfs/dbraw/zinc/33/56/82/1306335682.db2.gz JUMGLJMPUPDBJD-VIFPVBQESA-N 1 0 332.263 3.006 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1 ZINC000790930573 1308889322 /nfs/dbraw/zinc/88/93/22/1308889322.db2.gz ALBKWGYWVGZTGN-ABSDTBQOSA-N 1 0 332.488 3.301 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CSc3ccccc32)c(O)c1OC ZINC000894659129 1309008157 /nfs/dbraw/zinc/00/81/57/1309008157.db2.gz OKWPXPVMSXHBSO-CYBMUJFWSA-N 1 0 331.437 3.389 20 10 EGCDRO COCCCOc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894739484 1309045937 /nfs/dbraw/zinc/04/59/37/1309045937.db2.gz NPRZRLYFJPHOIE-UHFFFAOYSA-N 1 0 345.439 3.414 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000894907581 1309123083 /nfs/dbraw/zinc/12/30/83/1309123083.db2.gz VBSHUDGDKHRQSW-IAGOWNOFSA-N 1 0 328.412 3.114 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c(O)c1 ZINC000792183566 1309138302 /nfs/dbraw/zinc/13/83/02/1309138302.db2.gz OOJDUPUDTAVNLP-UHFFFAOYSA-N 1 0 346.402 3.368 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc(F)c(C)c3)C2)cc1 ZINC000895005610 1309151199 /nfs/dbraw/zinc/15/11/99/1309151199.db2.gz HIIDKPHONUPOBM-HNNXBMFYSA-N 1 0 329.419 3.154 20 10 EGCDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(O)c1OC ZINC000895018469 1309159597 /nfs/dbraw/zinc/15/95/97/1309159597.db2.gz PFJHPRJOJAZCMT-IBGZPJMESA-N 1 0 347.455 3.191 20 10 EGCDRO CO[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)C[C@@H]1OC ZINC000792711155 1309213173 /nfs/dbraw/zinc/21/31/73/1309213173.db2.gz WVGWXDKLUSICFW-KDURUIRLSA-N 1 0 327.380 3.137 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c(O)c1OC ZINC000895181738 1309226556 /nfs/dbraw/zinc/22/65/56/1309226556.db2.gz YQXSDTSYBYXLEV-LLVKDONJSA-N 1 0 334.243 3.473 20 10 EGCDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793048264 1309287309 /nfs/dbraw/zinc/28/73/09/1309287309.db2.gz IOKYTVIQTOYQGS-UHFFFAOYSA-N 1 0 332.366 3.203 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCN1CC=CCC1 ZINC000793319178 1309345888 /nfs/dbraw/zinc/34/58/88/1309345888.db2.gz NGUAOKYZBWJGQP-UHFFFAOYSA-N 1 0 338.451 3.323 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1O ZINC000895474152 1309356549 /nfs/dbraw/zinc/35/65/49/1309356549.db2.gz VTVLZPMCPOJASB-INIZCTEOSA-N 1 0 335.831 3.056 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2SC)c(O)c1 ZINC000793386489 1309361859 /nfs/dbraw/zinc/36/18/59/1309361859.db2.gz SWNXWJRQZNWAAW-UHFFFAOYSA-N 1 0 349.452 3.430 20 10 EGCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc4oc5ccccc5c4cc3O)C[C@@H]21 ZINC000793643922 1309422027 /nfs/dbraw/zinc/42/20/27/1309422027.db2.gz NTXJZSROGNVOFH-QWHZDKJVSA-N 1 0 337.375 3.142 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]CCC3CCCCC3)cc2)CC1 ZINC000895813221 1309532155 /nfs/dbraw/zinc/53/21/55/1309532155.db2.gz HGDPLGZXGLRUQO-UHFFFAOYSA-N 1 0 343.515 3.448 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1ccc(C)cc1O ZINC000794800182 1309597149 /nfs/dbraw/zinc/59/71/49/1309597149.db2.gz AUFSPLMOSAMGRU-SFHVURJKSA-N 1 0 326.440 3.480 20 10 EGCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Cl)ccc1O ZINC000794827175 1309603793 /nfs/dbraw/zinc/60/37/93/1309603793.db2.gz GIHIXNALJXEYMB-ZDUSSCGKSA-N 1 0 331.865 3.054 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1C ZINC000794890002 1309616846 /nfs/dbraw/zinc/61/68/46/1309616846.db2.gz LTYPHTOGDSPHGY-CALCHBBNSA-N 1 0 346.471 3.308 20 10 EGCDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000795748394 1309825736 /nfs/dbraw/zinc/82/57/36/1309825736.db2.gz XIKKPXRDAMKNJG-XVGQJIODSA-N 1 0 325.408 3.401 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)c1O ZINC000896562263 1309916486 /nfs/dbraw/zinc/91/64/86/1309916486.db2.gz AGEPSKSZEZWNKB-KRWDZBQOSA-N 1 0 339.794 3.191 20 10 EGCDRO O[C@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796359177 1309976965 /nfs/dbraw/zinc/97/69/65/1309976965.db2.gz FBBUCUJDBRWPGR-CTNGQTDRSA-N 1 0 336.479 3.500 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000797042380 1310131619 /nfs/dbraw/zinc/13/16/19/1310131619.db2.gz IAIGQEXBYCEJSZ-AEFFLSMTSA-N 1 0 344.503 3.083 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCc3cccnc32)N(C)C)cc1 ZINC000898450931 1310742292 /nfs/dbraw/zinc/74/22/92/1310742292.db2.gz VTJUUJYHIVGLIE-WOJBJXKFSA-N 1 0 338.499 3.418 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC12CCOCC2)c1ccc(N2CCOCC2)cc1 ZINC000800475360 1310764970 /nfs/dbraw/zinc/76/49/70/1310764970.db2.gz WABAJZSLJQOZFD-LPHOPBHVSA-N 1 0 330.472 3.133 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1O ZINC000800994674 1310848888 /nfs/dbraw/zinc/84/88/88/1310848888.db2.gz YPDOMLOOVDIXLL-FUHWJXTLSA-N 1 0 338.451 3.277 20 10 EGCDRO CCCC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccccc1O ZINC000801597715 1310970932 /nfs/dbraw/zinc/97/09/32/1310970932.db2.gz MZCHDPRGCVZVMX-UHFFFAOYSA-N 1 0 344.430 3.450 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000824815187 1320287442 /nfs/dbraw/zinc/28/74/42/1320287442.db2.gz JJPQIBGJLZCLGP-KXBFYZLASA-N 1 0 347.459 3.442 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1Cl ZINC000824926261 1320297142 /nfs/dbraw/zinc/29/71/42/1320297142.db2.gz DFOVXJXJAIVKNZ-CXAGYDPISA-N 1 0 349.862 3.033 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCN3CCCC3(C)C)CC2)cc1 ZINC000825327505 1320328939 /nfs/dbraw/zinc/32/89/39/1320328939.db2.gz SNUVLCILYSEYRE-UHFFFAOYSA-N 1 0 331.504 3.128 20 10 EGCDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825390732 1320334217 /nfs/dbraw/zinc/33/42/17/1320334217.db2.gz KDYUMPCYDIAZON-MRXNPFEDSA-N 1 0 347.256 3.431 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000825987024 1320376403 /nfs/dbraw/zinc/37/64/03/1320376403.db2.gz QRCIJPLBMJZVOL-AWEZNQCLSA-N 1 0 340.261 3.403 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2F)c1 ZINC000839539095 1320935245 /nfs/dbraw/zinc/93/52/45/1320935245.db2.gz JANMUUYMXRIRNL-LBPRGKRZSA-N 1 0 332.375 3.219 20 10 EGCDRO Clc1ccc2c(n1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000857900640 1328618679 /nfs/dbraw/zinc/61/86/79/1328618679.db2.gz GGINFEHZZVRRJE-KRWDZBQOSA-N 1 0 343.858 3.349 20 10 EGCDRO COc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1OC ZINC000858100262 1328681685 /nfs/dbraw/zinc/68/16/85/1328681685.db2.gz APDMXOPTJVMIDX-UHFFFAOYSA-N 1 0 336.382 3.338 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)c(Br)cn2)c1 ZINC000858137585 1328692575 /nfs/dbraw/zinc/69/25/75/1328692575.db2.gz TZPQCACFAUOUTN-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858155778 1328698100 /nfs/dbraw/zinc/69/81/00/1328698100.db2.gz IKUHVHKVOVSHID-ABAIWWIYSA-N 1 0 328.250 3.448 20 10 EGCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000806662817 1317517585 /nfs/dbraw/zinc/51/75/85/1317517585.db2.gz HIBQSEBVHNNXJC-QAPCUYQASA-N 1 0 349.544 3.195 20 10 EGCDRO CCNc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000902092561 1317520773 /nfs/dbraw/zinc/52/07/73/1317520773.db2.gz GBFDNYCKIWQSRQ-UHFFFAOYSA-N 1 0 325.456 3.245 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)c(O)c(C(C)(C)C)c1 ZINC000902577300 1317595100 /nfs/dbraw/zinc/59/51/00/1317595100.db2.gz AEGFOLLMONKXHL-SFHVURJKSA-N 1 0 343.471 3.305 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000902622655 1317600775 /nfs/dbraw/zinc/60/07/75/1317600775.db2.gz PEPYQEUDFBGCRC-INIZCTEOSA-N 1 0 335.444 3.036 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)C3CCC3)C2)cc1C ZINC001020282407 1317622792 /nfs/dbraw/zinc/62/27/92/1317622792.db2.gz NIFPMKRKLWFEGG-ZTFGCOKTSA-N 1 0 330.472 3.177 20 10 EGCDRO CCN(C(=O)C[NH2+][C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000903194558 1317670776 /nfs/dbraw/zinc/67/07/76/1317670776.db2.gz FBLYSOJZXMXRGC-CQSZACIVSA-N 1 0 328.412 3.105 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(CO)c1 ZINC000903448823 1317701805 /nfs/dbraw/zinc/70/18/05/1317701805.db2.gz UBFJKFBRGGXKFR-IERDGZPVSA-N 1 0 341.499 3.198 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c1O ZINC000808705138 1317718308 /nfs/dbraw/zinc/71/83/08/1317718308.db2.gz AWZAQFUCSBCJGQ-GFCCVEGCSA-N 1 0 332.831 3.346 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c1O ZINC000808717137 1317721797 /nfs/dbraw/zinc/72/17/97/1317721797.db2.gz ABXFDWRGMMYNMQ-LBPRGKRZSA-N 1 0 345.892 3.362 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC3(C)C)C2)cc1C ZINC001020491301 1317722721 /nfs/dbraw/zinc/72/27/21/1317722721.db2.gz GINWHISQWQQCQH-ULQDDVLXSA-N 1 0 330.472 3.177 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc(Cl)ccc3O)[C@@H]2C1 ZINC000808724039 1317723607 /nfs/dbraw/zinc/72/36/07/1317723607.db2.gz RYNSYPLONBLTQY-BHADISHBSA-N 1 0 336.863 3.343 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)c1O ZINC000808729478 1317724272 /nfs/dbraw/zinc/72/42/72/1317724272.db2.gz KQJIXFHFAPHNKY-GEWABHDNSA-N 1 0 333.815 3.499 20 10 EGCDRO CCCCN(C)C[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000808732919 1317725844 /nfs/dbraw/zinc/72/58/44/1317725844.db2.gz PCQPUBGDKNWJFQ-KRWDZBQOSA-N 1 0 333.520 3.374 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)cc1F ZINC000809610912 1317844210 /nfs/dbraw/zinc/84/42/10/1317844210.db2.gz JMJOFIWZUPEEKN-UHFFFAOYSA-N 1 0 337.439 3.037 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C(=O)OC)n(C)c2)cc1F ZINC000809618367 1317847191 /nfs/dbraw/zinc/84/71/91/1317847191.db2.gz HJDQWAFHJPVFFB-UHFFFAOYSA-N 1 0 347.434 3.087 20 10 EGCDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809637470 1317853654 /nfs/dbraw/zinc/85/36/54/1317853654.db2.gz VEHWCAAEDWEFII-UWJYYQICSA-N 1 0 336.479 3.452 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[C@H]1O ZINC000809644276 1317855821 /nfs/dbraw/zinc/85/58/21/1317855821.db2.gz GGLGIXYCQOJIMJ-VGOFRKELSA-N 1 0 336.479 3.452 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809698828 1317868004 /nfs/dbraw/zinc/86/80/04/1317868004.db2.gz HBEKOEGLNAWMHV-QRQLOZEOSA-N 1 0 339.435 3.405 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)cc1C ZINC000809721749 1317876681 /nfs/dbraw/zinc/87/66/81/1317876681.db2.gz ZQTORFYWZCLQMM-QGZVFWFLSA-N 1 0 334.460 3.498 20 10 EGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Br)ccc1O ZINC000809724453 1317878989 /nfs/dbraw/zinc/87/89/89/1317878989.db2.gz KSOHSRBRAKCZQP-DOMZBBRYSA-N 1 0 339.277 3.213 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)c1O ZINC000809740186 1317885958 /nfs/dbraw/zinc/88/59/58/1317885958.db2.gz OBGZTPBJEMOXNS-VQIMIIECSA-N 1 0 340.467 3.401 20 10 EGCDRO CCOc1ccc(C[N@H+](CCCOC)Cc2ccncc2)c(O)c1 ZINC000809740974 1317886362 /nfs/dbraw/zinc/88/63/62/1317886362.db2.gz LNNGOXKCNDZMMC-UHFFFAOYSA-N 1 0 330.428 3.225 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810214986 1317977340 /nfs/dbraw/zinc/97/73/40/1317977340.db2.gz NEZJNSZGEQGONH-ZFWWWQNUSA-N 1 0 347.377 3.239 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cc(Br)ccc1O ZINC000810259331 1317987826 /nfs/dbraw/zinc/98/78/26/1317987826.db2.gz GWNIJUSBEWRJQH-IINYFYTJSA-N 1 0 328.250 3.356 20 10 EGCDRO c1ncc(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2)o1 ZINC000906520378 1318112025 /nfs/dbraw/zinc/11/20/25/1318112025.db2.gz PHBOZAYQMYKFOZ-UHFFFAOYSA-N 1 0 349.434 3.468 20 10 EGCDRO CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000811511214 1318190596 /nfs/dbraw/zinc/19/05/96/1318190596.db2.gz FNFPZYPKNWGQEX-HXUWFJFHSA-N 1 0 345.531 3.218 20 10 EGCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000812507059 1318403707 /nfs/dbraw/zinc/40/37/07/1318403707.db2.gz JOEJIUUKARMRGP-QGZVFWFLSA-N 1 0 348.535 3.405 20 10 EGCDRO CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000960235836 1318424006 /nfs/dbraw/zinc/42/40/06/1318424006.db2.gz HNSNHSYTSVLDFT-WIYYLYMNSA-N 1 0 338.451 3.285 20 10 EGCDRO Cn1ncc2ccc(C[NH2+]Cc3cc(Br)ccc3O)cc21 ZINC000812771774 1318451178 /nfs/dbraw/zinc/45/11/78/1318451178.db2.gz JOOKQTAZWGJHQX-UHFFFAOYSA-N 1 0 346.228 3.331 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1C ZINC000812782888 1318453750 /nfs/dbraw/zinc/45/37/50/1318453750.db2.gz NNTICCDUCVSLCE-OAHLLOKOSA-N 1 0 328.387 3.043 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC000813387599 1318552039 /nfs/dbraw/zinc/55/20/39/1318552039.db2.gz HRUKGLXBZYLCOS-UHFFFAOYSA-N 1 0 331.504 3.223 20 10 EGCDRO Cn1c(=O)c(C[NH2+]Cc2cc(Cl)ccc2O)cc2ccccc21 ZINC000813790753 1318633382 /nfs/dbraw/zinc/63/33/82/1318633382.db2.gz WODHZKJZFKVTSI-UHFFFAOYSA-N 1 0 328.799 3.187 20 10 EGCDRO CCCN(CC[NH+]1CCCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000813855746 1318644285 /nfs/dbraw/zinc/64/42/85/1318644285.db2.gz SSDZRGFWMQDBGV-CSKARUKUSA-N 1 0 346.471 3.226 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(N(C)C)cc1 ZINC000858534854 1328790888 /nfs/dbraw/zinc/79/08/88/1328790888.db2.gz JBBFVUVRRBNUSJ-IRWQIABSSA-N 1 0 327.428 3.034 20 10 EGCDRO Cc1cc(CN2CC[NH+](Cc3cccs3)CC2)ccc1N(C)C ZINC000815012829 1318866051 /nfs/dbraw/zinc/86/60/51/1318866051.db2.gz IBKJXAHPSQTACD-UHFFFAOYSA-N 1 0 329.513 3.440 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815044131 1318873086 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CC(C)OCCN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816514374 1319170431 /nfs/dbraw/zinc/17/04/31/1319170431.db2.gz VNIFCZNSNKIUEE-UHFFFAOYSA-N 1 0 328.456 3.088 20 10 EGCDRO C[C@H]1CN=C(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)S1 ZINC000816515437 1319170679 /nfs/dbraw/zinc/17/06/79/1319170679.db2.gz ZJMDRSKHOKDHDI-AWEZNQCLSA-N 1 0 341.480 3.154 20 10 EGCDRO Oc1c(C[NH2+]Cc2cccnc2N2CCOCC2)ccc2ccccc21 ZINC000816534914 1319177011 /nfs/dbraw/zinc/17/70/11/1319177011.db2.gz ZBEZJEGVNVQERS-UHFFFAOYSA-N 1 0 349.434 3.067 20 10 EGCDRO COCCOc1ncccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816535740 1319177283 /nfs/dbraw/zinc/17/72/83/1319177283.db2.gz YKAASLIPQSHSJG-UHFFFAOYSA-N 1 0 338.407 3.255 20 10 EGCDRO Cc1cc(C)nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000930210596 1328812562 /nfs/dbraw/zinc/81/25/62/1328812562.db2.gz OXWYPJIGNYUWIQ-KRWDZBQOSA-N 1 0 325.456 3.386 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)[C@]12CCCO2 ZINC000816569314 1319186188 /nfs/dbraw/zinc/18/61/88/1319186188.db2.gz HQJVZLJGXQPJIW-QWFCFKBJSA-N 1 0 327.424 3.362 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000817043235 1319265216 /nfs/dbraw/zinc/26/52/16/1319265216.db2.gz DTJOBIROILUUGG-OAQYLSRUSA-N 1 0 337.467 3.262 20 10 EGCDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817412096 1319350647 /nfs/dbraw/zinc/35/06/47/1319350647.db2.gz CXPNOENUOYBJLX-AEFFLSMTSA-N 1 0 341.451 3.422 20 10 EGCDRO COc1cccc(O)c1C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000817414862 1319353093 /nfs/dbraw/zinc/35/30/93/1319353093.db2.gz POCXMCRVXKAFCQ-UONOGXRCSA-N 1 0 335.444 3.201 20 10 EGCDRO COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817896390 1319454848 /nfs/dbraw/zinc/45/48/48/1319454848.db2.gz IDFRSPAWTMPTLQ-LEWJYISDSA-N 1 0 339.483 3.344 20 10 EGCDRO COC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000817940719 1319468055 /nfs/dbraw/zinc/46/80/55/1319468055.db2.gz HLSPRKTXNDCLDP-OALUTQOASA-N 1 0 347.890 3.383 20 10 EGCDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940242 1319468583 /nfs/dbraw/zinc/46/85/83/1319468583.db2.gz DZHGGQVNZOMXFW-MSOLQXFVSA-N 1 0 343.446 3.177 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(O)c1C ZINC000817939972 1319468941 /nfs/dbraw/zinc/46/89/41/1319468941.db2.gz DOOWOVMHZDCFKK-DNVCBOLYSA-N 1 0 327.472 3.426 20 10 EGCDRO COc1ncc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000817944080 1319471816 /nfs/dbraw/zinc/47/18/16/1319471816.db2.gz XGDDANOYEQRGQG-SJCJKPOMSA-N 1 0 348.878 3.160 20 10 EGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1-c1ccccc1 ZINC000817943926 1319471943 /nfs/dbraw/zinc/47/19/43/1319471943.db2.gz WTXDDQRSWGWEIK-OXQOHEQNSA-N 1 0 349.482 3.289 20 10 EGCDRO C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)cc(F)c1[O-] ZINC000817948044 1319473916 /nfs/dbraw/zinc/47/39/16/1319473916.db2.gz STJZMRCJJYTYBY-PUSIOWJLSA-N 1 0 331.229 3.214 20 10 EGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ncc(Br)cc1F ZINC000817957835 1319476357 /nfs/dbraw/zinc/47/63/57/1319476357.db2.gz PQLFIAGKYHTSIO-JTQLQIEISA-N 1 0 338.224 3.459 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817969509 1319481148 /nfs/dbraw/zinc/48/11/48/1319481148.db2.gz VRZHQLDIFZVWPV-UWVGGRQHSA-N 1 0 331.229 3.087 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(C)n1-c1ccccc1C ZINC000818017689 1319491324 /nfs/dbraw/zinc/49/13/24/1319491324.db2.gz NGRVAMYDRMAVFD-OAQYLSRUSA-N 1 0 337.467 3.371 20 10 EGCDRO CCn1nc(C)c(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)c1C ZINC000818221243 1319521646 /nfs/dbraw/zinc/52/16/46/1319521646.db2.gz PLECSUUEHVZVTD-QGZVFWFLSA-N 1 0 342.487 3.145 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@H](C)n4ccnc43)C2)cc1 ZINC000818341599 1319531031 /nfs/dbraw/zinc/53/10/31/1319531031.db2.gz BQTPEQGZBAANQE-DAYGRLMNSA-N 1 0 326.444 3.014 20 10 EGCDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000818350960 1319533730 /nfs/dbraw/zinc/53/37/30/1319533730.db2.gz WBHZKOALRPXSFD-INIZCTEOSA-N 1 0 338.517 3.152 20 10 EGCDRO O=C(CCCc1ccccc1)NCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000818352711 1319534331 /nfs/dbraw/zinc/53/43/31/1319534331.db2.gz OKRUPDWASPKIFM-GOSISDBHSA-N 1 0 338.451 3.108 20 10 EGCDRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000818941212 1319581531 /nfs/dbraw/zinc/58/15/31/1319581531.db2.gz GCKGQCDUOKEQFN-KRWDZBQOSA-N 1 0 346.496 3.004 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818965499 1319595382 /nfs/dbraw/zinc/59/53/82/1319595382.db2.gz SWQWEEMPPZUQJY-IBGZPJMESA-N 1 0 343.427 3.264 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C3CCCC3)C2)cc1C ZINC000961467760 1319602472 /nfs/dbraw/zinc/60/24/72/1319602472.db2.gz ZDQWZBJGVYDRDF-UHFFFAOYSA-N 1 0 330.472 3.178 20 10 EGCDRO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000819899951 1319796712 /nfs/dbraw/zinc/79/67/12/1319796712.db2.gz GPNAKBUHLIOCOF-LJQANCHMSA-N 1 0 338.451 3.072 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000820503015 1319899951 /nfs/dbraw/zinc/89/99/51/1319899951.db2.gz DQECICIGNSYLJS-CABCVRRESA-N 1 0 331.485 3.320 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000918118721 1319918757 /nfs/dbraw/zinc/91/87/57/1319918757.db2.gz CNDAQXOLCZWJKQ-QGZVFWFLSA-N 1 0 346.519 3.206 20 10 EGCDRO C[C@H](C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1)[NH+](C)C ZINC000821719473 1320027172 /nfs/dbraw/zinc/02/71/72/1320027172.db2.gz CLAODIUWRYQQLU-HZPDHXFCSA-N 1 0 326.440 3.432 20 10 EGCDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000823855603 1320211986 /nfs/dbraw/zinc/21/19/86/1320211986.db2.gz YXZXRUYRHCXMJW-KCXAZCMYSA-N 1 0 340.920 3.351 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000824345197 1320249721 /nfs/dbraw/zinc/24/97/21/1320249721.db2.gz XMIKGJPJDKVMIC-GOSISDBHSA-N 1 0 334.460 3.291 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1C ZINC000825118907 1320312732 /nfs/dbraw/zinc/31/27/32/1320312732.db2.gz YUZAUVWDWRBRSR-BHIYHBOVSA-N 1 0 343.471 3.487 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)c(C)n1-c1ccc(F)cc1 ZINC000825158275 1320315734 /nfs/dbraw/zinc/31/57/34/1320315734.db2.gz IOMFHBJONSBOBI-SFHVURJKSA-N 1 0 343.446 3.351 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@@H]2CCO[C@@H]21 ZINC000825303840 1320326076 /nfs/dbraw/zinc/32/60/76/1320326076.db2.gz MVMUBAJDRPRCIA-YUTCNCBUSA-N 1 0 326.234 3.058 20 10 EGCDRO C[C@]1([NH2+]Cc2ccc(Br)cc2O)CCO[C@@H]1C1CC1 ZINC000825500471 1320342794 /nfs/dbraw/zinc/34/27/94/1320342794.db2.gz CLZICQSDZIXYPI-CABCVRRESA-N 1 0 326.234 3.202 20 10 EGCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3ccccc3c2O)CCCCC1 ZINC000827236958 1320437543 /nfs/dbraw/zinc/43/75/43/1320437543.db2.gz IZFDWHVNUPONBY-UHFFFAOYSA-N 1 0 347.480 3.383 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H]1C ZINC000827537446 1320459513 /nfs/dbraw/zinc/45/95/13/1320459513.db2.gz CIRDIMNVMDVLQQ-XJKSGUPXSA-N 1 0 349.471 3.329 20 10 EGCDRO C[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839008163 1320849850 /nfs/dbraw/zinc/84/98/50/1320849850.db2.gz KSJCGRJLDRTMNW-ZDUSSCGKSA-N 1 0 341.293 3.252 20 10 EGCDRO C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839008162 1320850149 /nfs/dbraw/zinc/85/01/49/1320850149.db2.gz KSJCGRJLDRTMNW-CYBMUJFWSA-N 1 0 341.293 3.252 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)c1 ZINC000839538357 1320933795 /nfs/dbraw/zinc/93/37/95/1320933795.db2.gz BCNDUDIKYOPDFL-PXAZEXFGSA-N 1 0 326.396 3.005 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000840161181 1321041577 /nfs/dbraw/zinc/04/15/77/1321041577.db2.gz SXELBFIBZHXHKX-IBGZPJMESA-N 1 0 335.444 3.263 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cncs1 ZINC000840761042 1321143004 /nfs/dbraw/zinc/14/30/04/1321143004.db2.gz OEWIUPHFQQFEIU-LLVKDONJSA-N 1 0 339.411 3.109 20 10 EGCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000840914586 1321176497 /nfs/dbraw/zinc/17/64/97/1321176497.db2.gz CIMXYUPLEZYNQE-HXUWFJFHSA-N 1 0 328.456 3.235 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000840931072 1321179368 /nfs/dbraw/zinc/17/93/68/1321179368.db2.gz RUNJEUGQEFRGAV-QGZVFWFLSA-N 1 0 330.447 3.141 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C[S@](C)=O)cc1 ZINC000840945749 1321183339 /nfs/dbraw/zinc/18/33/39/1321183339.db2.gz ASNAWAYAXQNQGZ-QHCPKHFHSA-N 1 0 330.497 3.229 20 10 EGCDRO CC(C)(CN1CCOCC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000840961885 1321188244 /nfs/dbraw/zinc/18/82/44/1321188244.db2.gz CWXMDFJMOYBDMC-UHFFFAOYSA-N 1 0 340.467 3.260 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1O ZINC000840972539 1321191262 /nfs/dbraw/zinc/19/12/62/1321191262.db2.gz PLWGIMCCLNHENS-FQEVSTJZSA-N 1 0 341.451 3.321 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000841029425 1321203143 /nfs/dbraw/zinc/20/31/43/1321203143.db2.gz GYPXBYVJKAICSE-RISCZKNCSA-N 1 0 327.266 3.070 20 10 EGCDRO CCCC[C@H](C[NH3+])NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841030255 1321203386 /nfs/dbraw/zinc/20/33/86/1321203386.db2.gz MIAHZRPCAFJGFM-MRXNPFEDSA-N 1 0 334.464 3.192 20 10 EGCDRO Nc1ccc(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000841035078 1321205249 /nfs/dbraw/zinc/20/52/49/1321205249.db2.gz FHAVTQMFIUJHAG-UHFFFAOYSA-N 1 0 332.831 3.416 20 10 EGCDRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841033957 1321205387 /nfs/dbraw/zinc/20/53/87/1321205387.db2.gz CWMVZPQAUPBDTK-HOCLYGCPSA-N 1 0 340.414 3.158 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](CN)C3CCCCC3)CC2)cc1 ZINC000841039105 1321206611 /nfs/dbraw/zinc/20/66/11/1321206611.db2.gz ALFIQGICCLDSHG-HXUWFJFHSA-N 1 0 331.504 3.161 20 10 EGCDRO COc1cc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)ccc1SC ZINC000841042350 1321207487 /nfs/dbraw/zinc/20/74/87/1321207487.db2.gz IOYUZAANRMGDJT-KRWDZBQOSA-N 1 0 345.512 3.273 20 10 EGCDRO COc1cc(Cl)cc(CNc2ccc3c(c2)C[NH2+]CCO3)c1O ZINC000841081805 1321215599 /nfs/dbraw/zinc/21/55/99/1321215599.db2.gz GDWCTMLTTKCVFM-UHFFFAOYSA-N 1 0 334.803 3.148 20 10 EGCDRO [NH3+]C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000841086826 1321215957 /nfs/dbraw/zinc/21/59/57/1321215957.db2.gz MVVHNBUWTFZQAX-QGZVFWFLSA-N 1 0 346.475 3.192 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000841308865 1321252666 /nfs/dbraw/zinc/25/26/66/1321252666.db2.gz SBONSBIZUYAVBL-UHFFFAOYSA-N 1 0 338.455 3.028 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000841322297 1321256550 /nfs/dbraw/zinc/25/65/50/1321256550.db2.gz JJXLNUZTNVFPPD-UHFFFAOYSA-N 1 0 326.444 3.313 20 10 EGCDRO C[NH2+]Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000841331039 1321258429 /nfs/dbraw/zinc/25/84/29/1321258429.db2.gz GMKGOLWCKADWPE-UHFFFAOYSA-N 1 0 338.455 3.328 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841751177 1321306691 /nfs/dbraw/zinc/30/66/91/1321306691.db2.gz MDHPHICKNFGWAV-NUTKFTJISA-N 1 0 335.831 3.181 20 10 EGCDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841748796 1321306872 /nfs/dbraw/zinc/30/68/72/1321306872.db2.gz YZLZVEZZTGZNOD-LBPRGKRZSA-N 1 0 348.830 3.135 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)NCCc1ccccc1 ZINC000841758067 1321307505 /nfs/dbraw/zinc/30/75/05/1321307505.db2.gz RUVHZZANYKRBNW-UONOGXRCSA-N 1 0 346.858 3.444 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1O ZINC000841759525 1321308112 /nfs/dbraw/zinc/30/81/12/1321308112.db2.gz ZGOSEGUPIKUSEP-LLVKDONJSA-N 1 0 339.844 3.300 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000841922100 1321329998 /nfs/dbraw/zinc/32/99/98/1321329998.db2.gz BAIBEFGNGLJYOK-UHFFFAOYSA-N 1 0 346.519 3.336 20 10 EGCDRO CC[NH2+][C@H](C)CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000841985360 1321333880 /nfs/dbraw/zinc/33/38/80/1321333880.db2.gz KHQRGRIKZURHQE-OAHLLOKOSA-N 1 0 333.476 3.235 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CO1 ZINC000842674039 1321416905 /nfs/dbraw/zinc/41/69/05/1321416905.db2.gz WJGBAYZXNXFJPD-OCCSQVGLSA-N 1 0 326.387 3.024 20 10 EGCDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000842753058 1321427614 /nfs/dbraw/zinc/42/76/14/1321427614.db2.gz BSYBMTMHIHKFTF-GXFFZTMASA-N 1 0 346.265 3.050 20 10 EGCDRO CCOc1ccc(C[NH2+]CCc2cn3c(cccc3C)n2)c(O)c1 ZINC000842782554 1321431332 /nfs/dbraw/zinc/43/13/32/1321431332.db2.gz MGOSJAJSTGINHD-UHFFFAOYSA-N 1 0 325.412 3.079 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)NCc1cccs1 ZINC000842907065 1321448590 /nfs/dbraw/zinc/44/85/90/1321448590.db2.gz CKNUJPLQSAWVJH-CABCVRRESA-N 1 0 330.453 3.126 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000843046301 1321461464 /nfs/dbraw/zinc/46/14/64/1321461464.db2.gz QZTRXAGVSWBJQY-SMDDNHRTSA-N 1 0 327.266 3.165 20 10 EGCDRO CCCN(Cc1cc(Br)cc(C)c1O)[C@@H]1CC[NH2+]C1 ZINC000843052973 1321462248 /nfs/dbraw/zinc/46/22/48/1321462248.db2.gz RIWGSORVORZVGR-CQSZACIVSA-N 1 0 327.266 3.037 20 10 EGCDRO Cc1cc(Br)cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000843118991 1321473025 /nfs/dbraw/zinc/47/30/25/1321473025.db2.gz RXUXFJJLRWBVDM-INIZCTEOSA-N 1 0 339.277 3.039 20 10 EGCDRO [NH3+][C@@H]1CCCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000843345509 1321502938 /nfs/dbraw/zinc/50/29/38/1321502938.db2.gz RAYFELSHQDOUEP-OAHLLOKOSA-N 1 0 337.427 3.464 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000843351533 1321504040 /nfs/dbraw/zinc/50/40/40/1321504040.db2.gz NRKFGZNPRHVYOM-UHFFFAOYSA-N 1 0 347.821 3.329 20 10 EGCDRO COc1cccc(O)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000843416688 1321514157 /nfs/dbraw/zinc/51/41/57/1321514157.db2.gz KNYGJCZJDCWVJP-OLZOCXBDSA-N 1 0 338.448 3.182 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c1O ZINC000843422507 1321516525 /nfs/dbraw/zinc/51/65/25/1321516525.db2.gz WXXHFLFXMBZTLH-IBGZPJMESA-N 1 0 347.842 3.320 20 10 EGCDRO Cc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000843453911 1321520040 /nfs/dbraw/zinc/52/00/40/1321520040.db2.gz LQQVBHWZHMARMS-HXUWFJFHSA-N 1 0 343.446 3.353 20 10 EGCDRO CC[C@H]([NH2+]CCN1CCCC1=O)c1ccc(C(F)(F)F)cc1O ZINC000846083705 1321767106 /nfs/dbraw/zinc/76/71/06/1321767106.db2.gz AAJZFKHVRCKMKG-ZDUSSCGKSA-N 1 0 330.350 3.074 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1O ZINC000846136235 1321770128 /nfs/dbraw/zinc/77/01/28/1321770128.db2.gz HRRQWSWVVBPIIZ-LBPRGKRZSA-N 1 0 347.411 3.277 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2cccc(OC)c2OC)c1O ZINC000846140630 1321770962 /nfs/dbraw/zinc/77/09/62/1321770962.db2.gz BTICOECEARTWIH-CYBMUJFWSA-N 1 0 331.412 3.311 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(N3CCOC3=O)c2)c1O ZINC000846142668 1321770996 /nfs/dbraw/zinc/77/09/96/1321770996.db2.gz GHJKNQGCVZPKQM-CYBMUJFWSA-N 1 0 342.395 3.208 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000846144193 1321771323 /nfs/dbraw/zinc/77/13/23/1321771323.db2.gz LIFHBYHGNYYRKB-WMLDXEAASA-N 1 0 342.439 3.271 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(O)CCCc3ccccc32)c1O ZINC000846144947 1321771398 /nfs/dbraw/zinc/77/13/98/1321771398.db2.gz LETMNUZIEWIJKR-JLTOFOAXSA-N 1 0 327.424 3.276 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)N2CCc3ccccc3C2)c1O ZINC000846144665 1321771506 /nfs/dbraw/zinc/77/15/06/1321771506.db2.gz MSPAKVZCPOSNST-JKSUJKDBSA-N 1 0 340.467 3.498 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000846167058 1321774002 /nfs/dbraw/zinc/77/40/02/1321774002.db2.gz RXTYPFNBDRXMKO-WSXQUGQNSA-N 1 0 345.414 3.357 20 10 EGCDRO Cc1ncncc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848527130 1321969239 /nfs/dbraw/zinc/96/92/39/1321969239.db2.gz SLKUBLKEXZCVDE-ZBFHGGJFSA-N 1 0 326.444 3.033 20 10 EGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000848546333 1321973627 /nfs/dbraw/zinc/97/36/27/1321973627.db2.gz YJGCZCAKYLIHSW-OASPWFOLSA-N 1 0 344.249 3.117 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)Cc3ccccn3)CC2)cc1 ZINC000848565864 1321977291 /nfs/dbraw/zinc/97/72/91/1321977291.db2.gz UGVGQVIGLGQHNC-MRXNPFEDSA-N 1 0 325.456 3.280 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1O ZINC000848882572 1322028553 /nfs/dbraw/zinc/02/85/53/1322028553.db2.gz UIJHGFBTCHXSGL-UHFFFAOYSA-N 1 0 344.499 3.425 20 10 EGCDRO CCc1cccc(C[NH2+]CCNC(=O)c2ccccc2Cl)c1O ZINC000848894648 1322033812 /nfs/dbraw/zinc/03/38/12/1322033812.db2.gz FVOGLBCCDZXHJK-UHFFFAOYSA-N 1 0 332.831 3.128 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1O ZINC000848917341 1322045485 /nfs/dbraw/zinc/04/54/85/1322045485.db2.gz QYMVYUJNEWINSV-QGZVFWFLSA-N 1 0 328.412 3.165 20 10 EGCDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000848921002 1322045496 /nfs/dbraw/zinc/04/54/96/1322045496.db2.gz NRPYAKWMBJJDCQ-LJQANCHMSA-N 1 0 338.451 3.282 20 10 EGCDRO CN(C)C(=O)C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000920183321 1322149184 /nfs/dbraw/zinc/14/91/84/1322149184.db2.gz KPANLBMIGQBELW-LJQANCHMSA-N 1 0 325.456 3.062 20 10 EGCDRO O=C(CCCC[NH+]1CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000920762909 1322219589 /nfs/dbraw/zinc/21/95/89/1322219589.db2.gz NBHLHANZTWWCRT-UHFFFAOYSA-N 1 0 329.488 3.169 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nccn3C(C)C)C2)cc1 ZINC000850331410 1322229371 /nfs/dbraw/zinc/22/93/71/1322229371.db2.gz YKRAGJMSFUXKOL-MRXNPFEDSA-N 1 0 328.460 3.089 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(COCc1ccccc1)OC ZINC000850357781 1322233352 /nfs/dbraw/zinc/23/33/52/1322233352.db2.gz VGUGVIMCDYHOIX-FQEVSTJZSA-N 1 0 345.439 3.112 20 10 EGCDRO CCOc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405553 1322240130 /nfs/dbraw/zinc/24/01/30/1322240130.db2.gz TWRXYDOHCZHDJJ-UHFFFAOYSA-N 1 0 340.467 3.336 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000850416853 1322242782 /nfs/dbraw/zinc/24/27/82/1322242782.db2.gz QTUAOODCGMPTPT-GOSISDBHSA-N 1 0 326.440 3.155 20 10 EGCDRO Oc1ccccc1C[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000850416166 1322243164 /nfs/dbraw/zinc/24/31/64/1322243164.db2.gz CEVAVCGKWPQJHW-IBGZPJMESA-N 1 0 327.424 3.378 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c2c1c(F)ccc2O ZINC000850500514 1322257548 /nfs/dbraw/zinc/25/75/48/1322257548.db2.gz FCDNEHZWHYQKNM-GKTZCKRASA-N 1 0 325.449 3.359 20 10 EGCDRO COc1ccc(N2C[C@H]([NH2+][C@H](C)c3ccc(C)cc3O)CC2=O)cc1 ZINC000850516256 1322259945 /nfs/dbraw/zinc/25/99/45/1322259945.db2.gz UBXWWNOEYASKKE-HUUCEWRRSA-N 1 0 340.423 3.165 20 10 EGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000850515370 1322260052 /nfs/dbraw/zinc/26/00/52/1322260052.db2.gz XCOVZICQVIGSFH-SCLBCKFNSA-N 1 0 331.412 3.448 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccccc1O ZINC000850516289 1322260154 /nfs/dbraw/zinc/26/01/54/1322260154.db2.gz UMQPCUVCPVFELF-KSSFIOAISA-N 1 0 340.423 3.247 20 10 EGCDRO CCn1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)nn1 ZINC000850522348 1322260940 /nfs/dbraw/zinc/26/09/40/1322260940.db2.gz OXEKVYWNYOCQRM-IBGZPJMESA-N 1 0 336.439 3.467 20 10 EGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568400 1322270052 /nfs/dbraw/zinc/27/00/52/1322270052.db2.gz WXBRBCONRLVPBQ-VQTJNVASSA-N 1 0 346.515 3.331 20 10 EGCDRO C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000921593069 1322360207 /nfs/dbraw/zinc/36/02/07/1322360207.db2.gz PUESKFQWYIASHY-MRXNPFEDSA-N 1 0 340.471 3.296 20 10 EGCDRO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000924572492 1323058155 /nfs/dbraw/zinc/05/81/55/1323058155.db2.gz CUIAYHVKEZTTJN-JLTOFOAXSA-N 1 0 343.446 3.247 20 10 EGCDRO COc1ccc(N2CCCN(CC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000851733571 1323076736 /nfs/dbraw/zinc/07/67/36/1323076736.db2.gz ZXFHUKSQQDVFDR-KDURUIRLSA-N 1 0 345.531 3.185 20 10 EGCDRO CC[C@H](F)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001024099118 1323130328 /nfs/dbraw/zinc/13/03/28/1323130328.db2.gz OPNAHMNZLPVAKX-IRXDYDNUSA-N 1 0 336.451 3.080 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000852019228 1323133920 /nfs/dbraw/zinc/13/39/20/1323133920.db2.gz VVAFFMJNOLPOSM-KBAYOESNSA-N 1 0 330.472 3.442 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc3ccccc3n2)cc1 ZINC000852212086 1323166568 /nfs/dbraw/zinc/16/65/68/1323166568.db2.gz TWDDXFBGQYTIHS-UHFFFAOYSA-N 1 0 336.439 3.207 20 10 EGCDRO CCCC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)[C@@H]2C1 ZINC001026174795 1324642726 /nfs/dbraw/zinc/64/27/26/1324642726.db2.gz NVJCONPLWHTLBG-KSZLIROESA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CC3(C)CC3)C2)cc1C ZINC001026961848 1325109714 /nfs/dbraw/zinc/10/97/14/1325109714.db2.gz UKIBVGYGNZKPBO-QGZVFWFLSA-N 1 0 330.472 3.132 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000853541102 1325118634 /nfs/dbraw/zinc/11/86/34/1325118634.db2.gz NYNUOQPKFLHEOB-OAHLLOKOSA-N 1 0 332.444 3.025 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1O ZINC000853585254 1325130130 /nfs/dbraw/zinc/13/01/30/1325130130.db2.gz PGRRRXUQGYGYIT-GOSISDBHSA-N 1 0 326.440 3.420 20 10 EGCDRO COc1cc([N+](=O)[O-])c(N2CC[N@H+](C)C3(CCCCC3)C2)cc1OC ZINC000853656607 1325142027 /nfs/dbraw/zinc/14/20/27/1325142027.db2.gz UFCFUBZNRFTOJA-UHFFFAOYSA-N 1 0 349.431 3.067 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(C)CC=CC3)C2)cc1C ZINC001027040547 1325176057 /nfs/dbraw/zinc/17/60/57/1325176057.db2.gz FQUDKLFNKBSNDZ-GOSISDBHSA-N 1 0 342.483 3.298 20 10 EGCDRO C[NH+]1CCC(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000854514257 1325271015 /nfs/dbraw/zinc/27/10/15/1325271015.db2.gz UDZIPNWRPSCQAY-UHFFFAOYSA-N 1 0 349.438 3.067 20 10 EGCDRO Oc1cccc(Br)c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000862232075 1329469013 /nfs/dbraw/zinc/46/90/13/1329469013.db2.gz OHJKJTAFPVQFEG-UHFFFAOYSA-N 1 0 336.233 3.257 20 10 EGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCSC3(CCOCC3)C2)cc1F ZINC000862327437 1329475412 /nfs/dbraw/zinc/47/54/12/1329475412.db2.gz CMJJESUNSXWENZ-UHFFFAOYSA-N 1 0 342.455 3.129 20 10 EGCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(O)cccc1Br ZINC000862367177 1329478407 /nfs/dbraw/zinc/47/84/07/1329478407.db2.gz YKFSDYGDIXNGPP-WFASDCNBSA-N 1 0 339.277 3.213 20 10 EGCDRO CC(C)[C@@H]([NH2+]Cc1c(O)cccc1Br)C1(CO)CCC1 ZINC000862374377 1329479751 /nfs/dbraw/zinc/47/97/51/1329479751.db2.gz KSUKZXVLYUYQRZ-OAHLLOKOSA-N 1 0 342.277 3.432 20 10 EGCDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000862387175 1329481255 /nfs/dbraw/zinc/48/12/55/1329481255.db2.gz IGLMHJVDUCKWMQ-OAHLLOKOSA-N 1 0 335.448 3.178 20 10 EGCDRO C[C@@H]([NH3+])CN(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000863568324 1329563996 /nfs/dbraw/zinc/56/39/96/1329563996.db2.gz JXROZSYLNGINMX-CQSZACIVSA-N 1 0 325.416 3.320 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2ccc(Br)cn2)c(O)c1 ZINC000865810797 1329741286 /nfs/dbraw/zinc/74/12/86/1329741286.db2.gz HXWUWBPVOFSAPZ-UHFFFAOYSA-N 1 0 337.217 3.238 20 10 EGCDRO CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC000948073474 1333366047 /nfs/dbraw/zinc/36/60/47/1333366047.db2.gz KLXHMJKRNFYPCJ-BBRMVZONSA-N 1 0 345.447 3.232 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2[O-])CC[C@@H]1C[NH3+] ZINC001205638960 1370822503 /nfs/dbraw/zinc/82/25/03/1370822503.db2.gz TYJGZKUINQLCBQ-GHMZBOCLSA-N 1 0 345.256 3.101 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(Br)cc(F)c2[O-])CCC[C@H]1C[NH3+] ZINC001206026324 1370942510 /nfs/dbraw/zinc/94/25/10/1370942510.db2.gz RWFOAFSPDDENSJ-QWRGUYRKSA-N 1 0 345.256 3.101 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccsc3)C2)cc1C ZINC001018475270 1339634340 /nfs/dbraw/zinc/63/43/40/1339634340.db2.gz DIGJUMHGIMFDAS-INIZCTEOSA-N 1 0 330.453 3.069 20 10 EGCDRO CC(C)[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001029175019 1340948941 /nfs/dbraw/zinc/94/89/41/1340948941.db2.gz PHHVBWNCUAXEEH-ZDUSSCGKSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)F)C[C@@H]2C)cc1C ZINC001035879300 1343244868 /nfs/dbraw/zinc/24/48/68/1343244868.db2.gz GFWBJXLPBJBITN-GOEBONIOSA-N 1 0 336.451 3.078 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC=CC3)C[C@@H]2C)cc1C ZINC001035970960 1343293731 /nfs/dbraw/zinc/29/37/31/1343293731.db2.gz DPCHFPMLYVLUGA-LPHOPBHVSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C=C3CCC3)C[C@H]2C)cc1C ZINC001035988787 1343302850 /nfs/dbraw/zinc/30/28/50/1343302850.db2.gz XNQALSCWZFPCOF-VQIMIIECSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CC2CC2)cc1C ZINC001036924257 1343867493 /nfs/dbraw/zinc/86/74/93/1343867493.db2.gz RADWBXRQEMMQIW-ROUUACIJSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)c2cc[nH]c2)cc1C ZINC001037015150 1343931267 /nfs/dbraw/zinc/93/12/67/1343931267.db2.gz VUIYGNJZEGOXEM-WMZOPIPTSA-N 1 0 341.455 3.020 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC3CC3)[C@@H](C)C2)cc1C ZINC001044403364 1346317800 /nfs/dbraw/zinc/31/78/00/1346317800.db2.gz HCEDTDUNBXTCLP-YJBOKZPZSA-N 1 0 330.472 3.273 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(F)F)[C@H](C)C2)cc1C ZINC001044407285 1346318975 /nfs/dbraw/zinc/31/89/75/1346318975.db2.gz HQECTGXDGGIMCB-UKRRQHHQSA-N 1 0 340.414 3.128 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C(C)(C)C)C2)cc1C 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EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c2ccccc21 ZINC001204233754 1370417008 /nfs/dbraw/zinc/41/70/08/1370417008.db2.gz VBXISDVRXCHXSA-OALUTQOASA-N 1 0 334.410 3.150 20 10 EGCDRO F[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1[NH+]1CCCC1 ZINC001204329721 1370445137 /nfs/dbraw/zinc/44/51/37/1370445137.db2.gz XYWHPFDYDQNLLS-VQTJNVASSA-N 1 0 331.479 3.295 20 10 EGCDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327315 1370445338 /nfs/dbraw/zinc/44/53/38/1370445338.db2.gz QIQTZHAVYBADHE-KRWDZBQOSA-N 1 0 330.472 3.450 20 10 EGCDRO COCC[N@H+](Cc1cc(Br)cc(OC)c1O)C(C)C ZINC001204338436 1370447483 /nfs/dbraw/zinc/44/74/83/1370447483.db2.gz GZRULVZRHKYNCN-UHFFFAOYSA-N 1 0 332.238 3.020 20 10 EGCDRO C[C@@H]1CC[NH2+]CCN1Cc1cc(OCc2ccccc2)ccc1O ZINC001205333268 1370724373 /nfs/dbraw/zinc/72/43/73/1370724373.db2.gz YYOCOKLTJXUUDT-MRXNPFEDSA-N 1 0 326.440 3.155 20 10 EGCDRO Cc1cc(O)c(CN2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205914796 1370908664 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COc1ccccc1C1CC[NH+](Cc2cc(OC)c(O)cc2O)CC1 ZINC001231637133 1376289411 /nfs/dbraw/zinc/28/94/11/1376289411.db2.gz FLJLAKNCZPIBLH-UHFFFAOYSA-N 1 0 343.423 3.495 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(Oc3ccncn3)CC2)cc1Cl ZINC001231870888 1376334225 /nfs/dbraw/zinc/33/42/25/1376334225.db2.gz CEYNXXDIBQSNLK-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)c(O)cc1O ZINC001232263331 1376426315 /nfs/dbraw/zinc/42/63/15/1376426315.db2.gz MWUIFSGSHIYMSI-UHFFFAOYSA-N 1 0 344.839 3.098 20 10 EGCDRO CCOC(=O)C1(CC)CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263152 1376426376 /nfs/dbraw/zinc/42/63/76/1376426376.db2.gz IECRVYQMHHYARN-UHFFFAOYSA-N 1 0 341.835 3.307 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1Cl ZINC001232270201 1376427919 /nfs/dbraw/zinc/42/79/19/1376427919.db2.gz XZXJIILQZDZFDO-UHFFFAOYSA-N 1 0 335.787 3.415 20 10 EGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)c1 ZINC001233079636 1376565732 /nfs/dbraw/zinc/56/57/32/1376565732.db2.gz 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C[N@H+](Cc1cncs1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138343026 1377706466 /nfs/dbraw/zinc/70/64/66/1377706466.db2.gz WKAFBQGOKZMSSD-UHFFFAOYSA-N 1 0 329.469 3.180 20 10 EGCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](O)[C@@H]3Cc3ccccc3)ccc21 ZINC001138356225 1377708228 /nfs/dbraw/zinc/70/82/28/1377708228.db2.gz GCNNXQAECYPRLI-FCHUYYIVSA-N 1 0 336.479 3.247 20 10 EGCDRO CN1CCCc2cc(C[NH+]3CCC(N4CCCCC4=O)CC3)ccc21 ZINC001138355818 1377708577 /nfs/dbraw/zinc/70/85/77/1377708577.db2.gz DPNMGZWBHARLPC-UHFFFAOYSA-N 1 0 341.499 3.046 20 10 EGCDRO CCC[NH+]1C[C@H]2CN(Cc3ccc(N(CC)CC)cc3OC)C[C@@H]2C1 ZINC001138392244 1377714528 /nfs/dbraw/zinc/71/45/28/1377714528.db2.gz UASNSQCWSKHHHN-OALUTQOASA-N 1 0 345.531 3.315 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN3CCCC[C@@H]3C(F)(F)F)cc2)CC1 ZINC001139409380 1377880508 /nfs/dbraw/zinc/88/05/08/1377880508.db2.gz KSQKAODHBJLLPE-QGZVFWFLSA-N 1 0 341.421 3.355 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)ccc1N(C)C ZINC001139674547 1377932402 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EGCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC001140342451 1378049960 /nfs/dbraw/zinc/04/99/60/1378049960.db2.gz JKPZMIHIAFINPZ-CQSZACIVSA-N 1 0 348.830 3.493 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4n[nH]cc4c3)CC2)c(C)c1 ZINC001140389280 1378056769 /nfs/dbraw/zinc/05/67/69/1378056769.db2.gz QDUPMZTWOZZPNQ-UHFFFAOYSA-N 1 0 336.439 3.202 20 10 EGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001140465636 1378068491 /nfs/dbraw/zinc/06/84/91/1378068491.db2.gz OZGZEQSFANNTKZ-GOSISDBHSA-N 1 0 328.843 3.461 20 10 EGCDRO CC1C[NH+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001140473572 1378069515 /nfs/dbraw/zinc/06/95/15/1378069515.db2.gz BZDCWUUHHCWHHJ-UHFFFAOYSA-N 1 0 345.487 3.195 20 10 EGCDRO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273284711 1378094734 /nfs/dbraw/zinc/09/47/34/1378094734.db2.gz KNTWJKWIROJQMF-BBRMVZONSA-N 1 0 334.435 3.048 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c1 ZINC001140621384 1378099468 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CCN(CC)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c(O)c1 ZINC001140857135 1378159815 /nfs/dbraw/zinc/15/98/15/1378159815.db2.gz UGOZIQZDGUXJDX-RBUKOAKNSA-N 1 0 349.494 3.247 20 10 EGCDRO CCc1ncnc2c1CC[N@H+](Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140923621 1378181879 /nfs/dbraw/zinc/18/18/79/1378181879.db2.gz DISQCPGEVDSTHS-UHFFFAOYSA-N 1 0 344.890 3.359 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140947995 1378188083 /nfs/dbraw/zinc/18/80/83/1378188083.db2.gz OPHJAMWWEUSHMP-LJQANCHMSA-N 1 0 332.444 3.286 20 10 EGCDRO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc[nH]1 ZINC001276837590 1378188310 /nfs/dbraw/zinc/18/83/10/1378188310.db2.gz MKVMQMCLSNLLTI-HOTGVXAUSA-N 1 0 349.837 3.362 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001140947700 1378188354 /nfs/dbraw/zinc/18/83/54/1378188354.db2.gz BDHKEBOXOUERCZ-HNNXBMFYSA-N 1 0 346.471 3.389 20 10 EGCDRO Cc1ccc(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001140950939 1378189954 /nfs/dbraw/zinc/18/99/54/1378189954.db2.gz PYQHIVVXQOXZRN-UHFFFAOYSA-N 1 0 332.444 3.190 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC001140954724 1378193373 /nfs/dbraw/zinc/19/33/73/1378193373.db2.gz XENRKPSAHDEKHK-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCN(c3ccccc3C)CC2)c(OC)c1 ZINC001141032335 1378213716 /nfs/dbraw/zinc/21/37/16/1378213716.db2.gz YORHRNCFNIOGBU-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO COc1ccc2c(c1)C[N@@H+](Cc1c(O)cc(OC)cc1OC)CCC2 ZINC001141031014 1378213757 /nfs/dbraw/zinc/21/37/57/1378213757.db2.gz VLMDKVKDKHWSMA-UHFFFAOYSA-N 1 0 343.423 3.366 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC[C@@]1(C)O ZINC001141074407 1378232841 /nfs/dbraw/zinc/23/28/41/1378232841.db2.gz HOMPTUWSEXXOLH-IIBYNOLFSA-N 1 0 328.500 3.368 20 10 EGCDRO CCN(CC[NH+]1CCCC1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076590 1378232907 /nfs/dbraw/zinc/23/29/07/1378232907.db2.gz WIPUVIKPVONOIJ-UHFFFAOYSA-N 1 0 327.516 3.303 20 10 EGCDRO O=C1CC2(CC[NH+](Cc3cc(O)ccc3O)CC2)c2cc(F)ccc21 ZINC001141157458 1378253324 /nfs/dbraw/zinc/25/33/24/1378253324.db2.gz ILTQFNALYPXVQJ-UHFFFAOYSA-N 1 0 341.382 3.357 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cc(O)ccc2O)C2CC2)C1 ZINC001141162817 1378256345 /nfs/dbraw/zinc/25/63/45/1378256345.db2.gz GDLFDYROSGUEOH-OAHLLOKOSA-N 1 0 348.443 3.072 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001142524955 1378453031 /nfs/dbraw/zinc/45/30/31/1378453031.db2.gz QXOBXSPICVMESP-IRXDYDNUSA-N 1 0 344.405 3.234 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cccc4[nH]cnc43)CC2)c(C)c1 ZINC001142695852 1378479241 /nfs/dbraw/zinc/47/92/41/1378479241.db2.gz BYBHUGXCLRPYRX-UHFFFAOYSA-N 1 0 336.439 3.202 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c(O)c1 ZINC001144500691 1378738610 /nfs/dbraw/zinc/73/86/10/1378738610.db2.gz ZDKASZPGSJTNRE-HXUWFJFHSA-N 1 0 336.391 3.210 20 10 EGCDRO CCCc1occc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001147754499 1379073642 /nfs/dbraw/zinc/07/36/42/1379073642.db2.gz BLELQWSLJVZYAN-UHFFFAOYSA-N 1 0 330.428 3.069 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)c(C)c2)cc1C ZINC001149724088 1379436934 /nfs/dbraw/zinc/43/69/34/1379436934.db2.gz RXAHXDQWBNCCGD-UHFFFAOYSA-N 1 0 326.440 3.140 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1ccc(F)cc1F ZINC001328041414 1388651700 /nfs/dbraw/zinc/65/17/00/1388651700.db2.gz KRENGJZOAMELMN-JKSUJKDBSA-N 1 0 347.361 3.059 20 10 EGCDRO CCN(Cc1ccccc1O)c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001154890626 1380373692 /nfs/dbraw/zinc/37/36/92/1380373692.db2.gz GKHIILYHXOENJR-UHFFFAOYSA-N 1 0 341.455 3.192 20 10 EGCDRO CCc1occc1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001157324718 1380842853 /nfs/dbraw/zinc/84/28/53/1380842853.db2.gz NURBVKSGMFFDDW-UHFFFAOYSA-N 1 0 330.428 3.069 20 10 EGCDRO Oc1c(CNc2ccc3c(n2)CC[NH2+]C3)cc(Cl)c2cccnc12 ZINC001157724828 1381016257 /nfs/dbraw/zinc/01/62/57/1381016257.db2.gz VJZMURZWZVOSAO-UHFFFAOYSA-N 1 0 340.814 3.247 20 10 EGCDRO Nc1ccc(OCCCOc2ccc(NC3=CC[NH2+]CC3)cc2)cc1 ZINC001159629846 1381853148 /nfs/dbraw/zinc/85/31/48/1381853148.db2.gz HVPNFUXUASTFID-UHFFFAOYSA-N 1 0 339.439 3.406 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCc2ccsc2)cc1C ZINC001159952390 1381947700 /nfs/dbraw/zinc/94/77/00/1381947700.db2.gz XBKRVLCAHDQSOY-UHFFFAOYSA-N 1 0 346.496 3.294 20 10 EGCDRO CCC[N@H+]1CC=C(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001161972527 1382578612 /nfs/dbraw/zinc/57/86/12/1382578612.db2.gz FCYFRYNSKVQSOF-UHFFFAOYSA-N 1 0 343.431 3.011 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001328680571 1388805448 /nfs/dbraw/zinc/80/54/48/1388805448.db2.gz GTLSHMWKXXALGG-NRFANRHFSA-N 1 0 338.499 3.142 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)c3ccoc3)CC2)cc1C ZINC001163410783 1383045909 /nfs/dbraw/zinc/04/59/09/1383045909.db2.gz ATHNJAWPHPLELD-UHFFFAOYSA-N 1 0 342.439 3.287 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001328770773 1388854264 /nfs/dbraw/zinc/85/42/64/1388854264.db2.gz JMUULQXGFQPJCJ-OAHLLOKOSA-N 1 0 333.476 3.010 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001169990746 1384212220 /nfs/dbraw/zinc/21/22/20/1384212220.db2.gz MUKMDOOQQUTPHU-CQSZACIVSA-N 1 0 327.428 3.479 20 10 EGCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1NCC[C@@H](C)[NH3+])N=[N+]=[N-] ZINC001170888816 1384406487 /nfs/dbraw/zinc/40/64/87/1384406487.db2.gz DGIPGBXTHFKUHL-RLIURORJSA-N 1 0 332.408 3.062 20 10 EGCDRO O=C(C[NH2+][C@H]1CCc2cccc(Cl)c2C1)c1ccc(O)c(O)c1 ZINC001170907227 1384408688 /nfs/dbraw/zinc/40/86/88/1384408688.db2.gz IDKMFJZHMBUFPT-ZDUSSCGKSA-N 1 0 331.799 3.081 20 10 EGCDRO Fc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001171393181 1384511312 /nfs/dbraw/zinc/51/13/12/1384511312.db2.gz NTEMDUGWEHRARS-GOSISDBHSA-N 1 0 340.442 3.309 20 10 EGCDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172855322 1384865935 /nfs/dbraw/zinc/86/59/35/1384865935.db2.gz YIJAJOZTDGDAEK-DYZYQPBXSA-N 1 0 339.794 3.145 20 10 EGCDRO Oc1cc(Br)c(Br)cc1Nc1cc[nH+]cc1 ZINC001173884897 1385024995 /nfs/dbraw/zinc/02/49/95/1385024995.db2.gz XAOKZKIFQNRFPX-UHFFFAOYSA-N 1 0 344.006 3.478 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2CCC=CCC2)cc1C ZINC001176261184 1385530587 /nfs/dbraw/zinc/53/05/87/1385530587.db2.gz CVNQYDNDITWNCK-UHFFFAOYSA-N 1 0 330.472 3.346 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)c1O ZINC001319952342 1386413652 /nfs/dbraw/zinc/41/36/52/1386413652.db2.gz ZVVYPGZMCMBUIK-CABCVRRESA-N 1 0 341.293 3.426 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC001320118859 1386525213 /nfs/dbraw/zinc/52/52/13/1386525213.db2.gz SFAXSHFEYJYXMQ-WBVHZDCISA-N 1 0 338.451 3.497 20 10 EGCDRO FC(F)(F)CN1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320479787 1386621139 /nfs/dbraw/zinc/62/11/39/1386621139.db2.gz ALFQKEGYADKQSA-UHFFFAOYSA-N 1 0 341.421 3.357 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2C)cc1C ZINC001182231335 1387127464 /nfs/dbraw/zinc/12/74/64/1387127464.db2.gz UPDYJQDCXZPEOQ-AUSMBZDKSA-N 1 0 344.499 3.234 20 10 EGCDRO COc1ccc(C[NH2+]CCCCOc2ccccc2)c(O)c1OC ZINC001336707186 1389141564 /nfs/dbraw/zinc/14/15/64/1389141564.db2.gz IYVWJPGXORGYAQ-UHFFFAOYSA-N 1 0 331.412 3.358 20 10 EGCDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC001330807126 1389533144 /nfs/dbraw/zinc/53/31/44/1389533144.db2.gz AFTTYEPTKYPZOG-NSHDSACASA-N 1 0 328.250 3.450 20 10 EGCDRO Cc1ncoc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001333705480 1390378985 /nfs/dbraw/zinc/37/89/85/1390378985.db2.gz QWZCCRHGLNVYSA-OAHLLOKOSA-N 1 0 335.835 3.096 20 10 EGCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001347221899 1391030629 /nfs/dbraw/zinc/03/06/29/1391030629.db2.gz HLYSOVSWLWKYPR-GOSISDBHSA-N 1 0 329.488 3.025 20 10 EGCDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001348447489 1391220981 /nfs/dbraw/zinc/22/09/81/1391220981.db2.gz QDKJGHKUUJZJRM-WBVHZDCISA-N 1 0 341.421 3.246 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](O)Cc1ccccc1 ZINC001351330635 1391628104 /nfs/dbraw/zinc/62/81/04/1391628104.db2.gz LBLANYDQSOHYAP-ORAYPTAESA-N 1 0 334.410 3.113 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2ccco2)cc1C ZINC001754287215 1440564408 /nfs/dbraw/zinc/56/44/08/1440564408.db2.gz RXNHIFKCPVXYHY-CVEARBPZSA-N 1 0 344.455 3.070 20 10 EGCDRO CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001755667581 1440893672 /nfs/dbraw/zinc/89/36/72/1440893672.db2.gz WWEAVNKUUHWXLO-CJNGLKHVSA-N 1 0 345.447 3.232 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000072283118 216113602 /nfs/dbraw/zinc/11/36/02/216113602.db2.gz LGAZMJBVWFHYCC-UHFFFAOYSA-N 1 0 341.411 3.362 20 10 EGCDRO COc1cc(Cl)cc(CNc2ccc3c(c2)OCC[NH2+]C3)c1O ZINC000530182835 313491968 /nfs/dbraw/zinc/49/19/68/313491968.db2.gz AMKUHJLNYQGZMT-UHFFFAOYSA-N 1 0 334.803 3.148 20 10 EGCDRO Cc1nnc(CC[NH2+][C@@H](C)c2cc(Br)ccc2O)s1 ZINC000289754228 456140497 /nfs/dbraw/zinc/14/04/97/456140497.db2.gz LFRKSVLYGAFCIY-QMMMGPOBSA-N 1 0 342.262 3.208 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCSC3)CC2)cc1 ZINC000157716122 455223497 /nfs/dbraw/zinc/22/34/97/455223497.db2.gz WHKKWFGRLIJLQP-ZDUSSCGKSA-N 1 0 328.428 3.352 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157843026 455238968 /nfs/dbraw/zinc/23/89/68/455238968.db2.gz IWENONGLGCNNIE-NQYLQCIDSA-N 1 0 348.462 3.271 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000238102773 455253733 /nfs/dbraw/zinc/25/37/33/455253733.db2.gz NAEKDPJOWDUNRR-SFHVURJKSA-N 1 0 346.858 3.209 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC=CC1 ZINC000158066230 455264846 /nfs/dbraw/zinc/26/48/46/455264846.db2.gz IISSURDMRRDMIF-MRXNPFEDSA-N 1 0 334.847 3.092 20 10 EGCDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2)ncn1 ZINC000183601935 455310140 /nfs/dbraw/zinc/31/01/40/455310140.db2.gz VIKAUABZFBNOSA-HOCLYGCPSA-N 1 0 326.444 3.064 20 10 EGCDRO COc1ccc(OC)c2c1C[N@H+](Cc1cc(C)c(C)cc1O)C[C@H]2O ZINC000029543376 453829805 /nfs/dbraw/zinc/82/98/05/453829805.db2.gz IRYDUJFTSBVTJN-QGZVFWFLSA-N 1 0 343.423 3.075 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000066688552 453862492 /nfs/dbraw/zinc/86/24/92/453862492.db2.gz RSYVOVURJUESME-UHFFFAOYSA-N 1 0 333.476 3.188 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000066703639 453864302 /nfs/dbraw/zinc/86/43/02/453864302.db2.gz SDYMGHNUEPDQRV-UHFFFAOYSA-N 1 0 333.476 3.046 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000090055260 454268246 /nfs/dbraw/zinc/26/82/46/454268246.db2.gz YNZRSBGLEJIAHB-OXJNMPFZSA-N 1 0 332.488 3.115 20 10 EGCDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000078998527 454352670 /nfs/dbraw/zinc/35/26/70/454352670.db2.gz JDLQXYZPWWZPLN-KRWDZBQOSA-N 1 0 340.467 3.340 20 10 EGCDRO COc1cccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1O ZINC000093388575 454711414 /nfs/dbraw/zinc/71/14/14/454711414.db2.gz PNTPDCIWZXGBOP-GOSISDBHSA-N 1 0 327.424 3.273 20 10 EGCDRO Oc1ccc(Br)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596835 454722629 /nfs/dbraw/zinc/72/26/29/454722629.db2.gz XRGLDLQHMHSBMZ-ZDUSSCGKSA-N 1 0 339.277 3.072 20 10 EGCDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000161826479 454726851 /nfs/dbraw/zinc/72/68/51/454726851.db2.gz LMXPRBKWMCMQDL-HNNXBMFYSA-N 1 0 335.467 3.335 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](COCCOC)C2)cc1F ZINC000093754677 454732174 /nfs/dbraw/zinc/73/21/74/454732174.db2.gz HSSBNMBFNVUEEE-KRWDZBQOSA-N 1 0 338.467 3.157 20 10 EGCDRO CCCNC(=O)C1CC[NH+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC000125402672 454819316 /nfs/dbraw/zinc/81/93/16/454819316.db2.gz UZFDOCOJAJWSCF-UHFFFAOYSA-N 1 0 331.504 3.271 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000177227641 454839687 /nfs/dbraw/zinc/83/96/87/454839687.db2.gz WNTGUXCSBZENHF-LBPRGKRZSA-N 1 0 328.378 3.430 20 10 EGCDRO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc2c(cc1O)CCCC2 ZINC000184878013 455466253 /nfs/dbraw/zinc/46/62/53/455466253.db2.gz PEHBHEVNKNJRBL-AWEZNQCLSA-N 1 0 340.471 3.440 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000113359260 454925000 /nfs/dbraw/zinc/92/50/00/454925000.db2.gz YLVDKZHDGOAWRK-QGZVFWFLSA-N 1 0 331.847 3.195 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000113359271 454925029 /nfs/dbraw/zinc/92/50/29/454925029.db2.gz AFPBMXFADVFHDZ-MRXNPFEDSA-N 1 0 340.920 3.495 20 10 EGCDRO CN(C)c1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000113942163 454938769 /nfs/dbraw/zinc/93/87/69/454938769.db2.gz DHTZKBKSMAYCLZ-UHFFFAOYSA-N 1 0 337.467 3.278 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000178817594 454981101 /nfs/dbraw/zinc/98/11/01/454981101.db2.gz JUEDQLBAVUHPGD-IBGZPJMESA-N 1 0 325.456 3.239 20 10 EGCDRO Cc1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)n1-c1ccc(F)cc1 ZINC000178845874 454984361 /nfs/dbraw/zinc/98/43/61/454984361.db2.gz JZOGMJMEDYCZMP-CQSZACIVSA-N 1 0 343.446 3.433 20 10 EGCDRO CCc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)o1 ZINC000155388232 454995533 /nfs/dbraw/zinc/99/55/33/454995533.db2.gz DHPQAZHPEJGTNQ-GXDHUFHOSA-N 1 0 336.482 3.137 20 10 EGCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 ZINC000179016824 454999353 /nfs/dbraw/zinc/99/93/53/454999353.db2.gz XHQJRLPGNRRDRA-OAHLLOKOSA-N 1 0 345.874 3.429 20 10 EGCDRO CCCNC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179918078 455098939 /nfs/dbraw/zinc/09/89/39/455098939.db2.gz CVKNQOBISLDSRY-UHFFFAOYSA-N 1 0 343.515 3.415 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnccn1 ZINC000130075703 455141020 /nfs/dbraw/zinc/14/10/20/455141020.db2.gz RDOMTFKLZRBABU-KGLIPLIRSA-N 1 0 348.397 3.398 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnccn1 ZINC000130075507 455141169 /nfs/dbraw/zinc/14/11/69/455141169.db2.gz RDOMTFKLZRBABU-KBPBESRZSA-N 1 0 348.397 3.398 20 10 EGCDRO COc1cccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c1O ZINC000237377446 455179256 /nfs/dbraw/zinc/17/92/56/455179256.db2.gz CZSRIFTXGRGODO-GOSISDBHSA-N 1 0 326.440 3.328 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1=O)c1ccccc1O ZINC000183327648 455277711 /nfs/dbraw/zinc/27/77/11/455277711.db2.gz QFPIBBXLUYXEJB-HOTGVXAUSA-N 1 0 340.423 3.247 20 10 EGCDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000184296381 455369353 /nfs/dbraw/zinc/36/93/53/455369353.db2.gz CCKHHJNUSHVWFG-QLEMLULZSA-N 1 0 326.481 3.234 20 10 EGCDRO CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000190907494 455402360 /nfs/dbraw/zinc/40/23/60/455402360.db2.gz KKQAJWOHRCERGW-UHFFFAOYSA-N 1 0 330.451 3.421 20 10 EGCDRO CCN(CC)C(=O)C1([NH2+]Cc2cc(OC)ccc2O)CCCCC1 ZINC000181987663 455411750 /nfs/dbraw/zinc/41/17/50/455411750.db2.gz WVXCKQKSYMUSOC-UHFFFAOYSA-N 1 0 334.460 3.062 20 10 EGCDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000184788852 455448149 /nfs/dbraw/zinc/44/81/49/455448149.db2.gz VWBTUUOOCGYNJQ-LJQANCHMSA-N 1 0 327.424 3.174 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c(O)c1 ZINC000184904250 455469580 /nfs/dbraw/zinc/46/95/80/455469580.db2.gz NSUFZFKGJHBLLC-FXAWDEMLSA-N 1 0 340.467 3.425 20 10 EGCDRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184904365 455469847 /nfs/dbraw/zinc/46/98/47/455469847.db2.gz XWIGECJQWRWLRJ-KXBFYZLASA-N 1 0 344.430 3.255 20 10 EGCDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C)cc2O)N2CCOCC2)o1 ZINC000184909607 455470246 /nfs/dbraw/zinc/47/02/46/455470246.db2.gz MSCDSUYEOBFDCU-AEFFLSMTSA-N 1 0 344.455 3.326 20 10 EGCDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000185048427 455492180 /nfs/dbraw/zinc/49/21/80/455492180.db2.gz CSQJJQHABQCIGQ-CQSZACIVSA-N 1 0 342.439 3.391 20 10 EGCDRO COc1ccc(O)c(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)c1 ZINC000191510994 455492248 /nfs/dbraw/zinc/49/22/48/455492248.db2.gz MCCFHPRMAIEHKD-UHFFFAOYSA-N 1 0 329.396 3.280 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1O ZINC000185208840 455521619 /nfs/dbraw/zinc/52/16/19/455521619.db2.gz ZYYKABASTPBVGX-FQEVSTJZSA-N 1 0 340.467 3.465 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3c(cccc3OC)C2)c1 ZINC000185334624 455542878 /nfs/dbraw/zinc/54/28/78/455542878.db2.gz YPECAXHKOOUJDH-TZMCWYRMSA-N 1 0 329.396 3.064 20 10 EGCDRO CC[N@H+](CCC1OCCCO1)Cc1cc(Br)ccc1O ZINC000267900643 455562124 /nfs/dbraw/zinc/56/21/24/455562124.db2.gz BIHYODFJHXGREM-UHFFFAOYSA-N 1 0 344.249 3.130 20 10 EGCDRO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(Br)ccc1O ZINC000185474512 455562645 /nfs/dbraw/zinc/56/26/45/455562645.db2.gz GTBFCULTKMNTHH-OVWNDWIMSA-N 1 0 348.306 3.353 20 10 EGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185487327 455564470 /nfs/dbraw/zinc/56/44/70/455564470.db2.gz BYSKGUBZNUBUEB-BFUOFWGJSA-N 1 0 331.412 3.102 20 10 EGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)CN1CCOCC1 ZINC000185505058 455569312 /nfs/dbraw/zinc/56/93/12/455569312.db2.gz YLQUIWSEUOXPPF-CVEARBPZSA-N 1 0 328.456 3.164 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000185697045 455599671 /nfs/dbraw/zinc/59/96/71/455599671.db2.gz LTLJTJWSUWLDJK-UHFFFAOYSA-N 1 0 332.831 3.361 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000185700015 455599877 /nfs/dbraw/zinc/59/98/77/455599877.db2.gz MVFFBRANXJDMMC-UHFFFAOYSA-N 1 0 342.439 3.106 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000283932810 455613005 /nfs/dbraw/zinc/61/30/05/455613005.db2.gz JFOOCPSMVYYHLG-CYBMUJFWSA-N 1 0 349.452 3.045 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185966987 455664706 /nfs/dbraw/zinc/66/47/06/455664706.db2.gz KMSWWPKFMXAKIB-GFCCVEGCSA-N 1 0 332.375 3.219 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271557280 455683771 /nfs/dbraw/zinc/68/37/71/455683771.db2.gz NRQKNEZCYOOTCI-OWCLPIDISA-N 1 0 336.451 3.128 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 ZINC000186081651 455690042 /nfs/dbraw/zinc/69/00/42/455690042.db2.gz HTQGJYYFPNTRHE-SUNYJGFJSA-N 1 0 340.423 3.245 20 10 EGCDRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1=O ZINC000186102212 455694337 /nfs/dbraw/zinc/69/43/37/455694337.db2.gz VSKDFPKXQKFRRK-GDBMZVCRSA-N 1 0 340.423 3.165 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000271723389 455734410 /nfs/dbraw/zinc/73/44/10/455734410.db2.gz OETIBFOMKHEOQO-KFWWJZLASA-N 1 0 340.414 3.414 20 10 EGCDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000284754210 455735726 /nfs/dbraw/zinc/73/57/26/455735726.db2.gz OECRBOINFZZMID-HKUYNNGSSA-N 1 0 328.460 3.150 20 10 EGCDRO CCC1(O)CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000271769267 455753566 /nfs/dbraw/zinc/75/35/66/455753566.db2.gz GAAMAEFXGRYUII-UHFFFAOYSA-N 1 0 328.250 3.200 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293690262 455795006 /nfs/dbraw/zinc/79/50/06/455795006.db2.gz QNLLBPRDLPQPSP-GOSISDBHSA-N 1 0 330.428 3.035 20 10 EGCDRO Cc1cccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000271877091 455795493 /nfs/dbraw/zinc/79/54/93/455795493.db2.gz ZRJJEKDHZVZRFB-FUHWJXTLSA-N 1 0 346.377 3.040 20 10 EGCDRO O=C(NCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000293753509 455796026 /nfs/dbraw/zinc/79/60/26/455796026.db2.gz OIRHAGYCLCMYLD-IBGZPJMESA-N 1 0 338.451 3.182 20 10 EGCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293870584 455799676 /nfs/dbraw/zinc/79/96/76/455799676.db2.gz UXRDVQQDLLOCOZ-CRAIPNDOSA-N 1 0 326.440 3.180 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCOc3ccc(C)cc3C2)cc1OC ZINC000285229727 455808705 /nfs/dbraw/zinc/80/87/05/455808705.db2.gz VKHHMFNGUJKMFG-UHFFFAOYSA-N 1 0 329.396 3.112 20 10 EGCDRO CCN(CC)c1ccc(CN(C)Cc2ncnn2CC(F)F)cc1 ZINC000278521691 455839294 /nfs/dbraw/zinc/83/92/94/455839294.db2.gz OSIVTNLCRLSKOY-UHFFFAOYSA-N 1 0 337.418 3.021 20 10 EGCDRO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1O ZINC000278585004 455841793 /nfs/dbraw/zinc/84/17/93/455841793.db2.gz DOMVTXDTVALUGX-QGZVFWFLSA-N 1 0 345.439 3.051 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(O)CCOCC2)cc1 ZINC000295299835 455845144 /nfs/dbraw/zinc/84/51/44/455845144.db2.gz XPBXMYVRIHKQRI-UHFFFAOYSA-N 1 0 346.496 3.016 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000295345106 455846916 /nfs/dbraw/zinc/84/69/16/455846916.db2.gz IEBVUMLUJXEXDR-DLBZAZTESA-N 1 0 328.481 3.411 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1(C)C ZINC000296014397 455866468 /nfs/dbraw/zinc/86/64/68/455866468.db2.gz MTCRWLBIPAZNAI-HNNXBMFYSA-N 1 0 325.836 3.495 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc(OC)c1OC ZINC000296019821 455866699 /nfs/dbraw/zinc/86/66/99/455866699.db2.gz PIRMSXYGDNJKNF-CQSZACIVSA-N 1 0 329.396 3.195 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3cc(F)ccc3O)n2)c1 ZINC000279595854 455868631 /nfs/dbraw/zinc/86/86/31/455868631.db2.gz VUSYKZNYWJXCGR-NEPJUHHUSA-N 1 0 341.390 3.432 20 10 EGCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000279621602 455869369 /nfs/dbraw/zinc/86/93/69/455869369.db2.gz AVAWLDMDGDIUBV-KRWDZBQOSA-N 1 0 338.451 3.407 20 10 EGCDRO Cc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000285580846 455874896 /nfs/dbraw/zinc/87/48/96/455874896.db2.gz INGQZZPMGUYFIS-HNNXBMFYSA-N 1 0 329.419 3.217 20 10 EGCDRO CC[C@H]([NH2+]CCCNC(=O)c1occc1C)c1ccc(C)cc1O ZINC000279947615 455878247 /nfs/dbraw/zinc/87/82/47/455878247.db2.gz BNSNUIOXGMOSOJ-INIZCTEOSA-N 1 0 330.428 3.463 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(C)cc1O ZINC000285822126 455922512 /nfs/dbraw/zinc/92/25/12/455922512.db2.gz XFFWWTJIDFQBTM-GDBMZVCRSA-N 1 0 346.393 3.004 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(F)c(F)c1[O-] ZINC000187830051 455958339 /nfs/dbraw/zinc/95/83/39/455958339.db2.gz HBLAXZSPKYXAOE-NEPJUHHUSA-N 1 0 327.371 3.397 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C(F)(F)F ZINC000270478209 455964274 /nfs/dbraw/zinc/96/42/74/455964274.db2.gz JALOLZGJTWFNTG-MRXNPFEDSA-N 1 0 325.330 3.462 20 10 EGCDRO CC(C)NC(=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296530322 455964845 /nfs/dbraw/zinc/96/48/45/455964845.db2.gz SOSJDLVDVRMASH-UHFFFAOYSA-N 1 0 345.512 3.389 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000187986564 455977498 /nfs/dbraw/zinc/97/74/98/455977498.db2.gz JGRZIENFMRXTER-FUHWJXTLSA-N 1 0 327.424 3.222 20 10 EGCDRO C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000287221661 456064774 /nfs/dbraw/zinc/06/47/74/456064774.db2.gz GBEWQJNIHMTGFO-UONOGXRCSA-N 1 0 346.402 3.192 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287770036 456078288 /nfs/dbraw/zinc/07/82/88/456078288.db2.gz RLIQJGLEZDWWNM-WFASDCNBSA-N 1 0 347.286 3.196 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H](O)c1ccccc1 ZINC000288587449 456099911 /nfs/dbraw/zinc/09/99/11/456099911.db2.gz OJEFRCVESRDOOQ-BDJLRTHQSA-N 1 0 336.229 3.366 20 10 EGCDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000289541851 456129469 /nfs/dbraw/zinc/12/94/69/456129469.db2.gz WWKYDOAWHBPFBB-AWEZNQCLSA-N 1 0 342.439 3.470 20 10 EGCDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(OC)c1O ZINC000289558444 456130130 /nfs/dbraw/zinc/13/01/30/456130130.db2.gz YIKIXAOCGSAOTP-KRWDZBQOSA-N 1 0 333.403 3.277 20 10 EGCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)ccc1O ZINC000281110331 456136972 /nfs/dbraw/zinc/13/69/72/456136972.db2.gz RNUJZDOJCSAMQX-GIGQVBGESA-N 1 0 346.290 3.107 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC000297211850 456151539 /nfs/dbraw/zinc/15/15/39/456151539.db2.gz GRWFOUOWBPKYIR-MKVSYHDVSA-N 1 0 332.444 3.217 20 10 EGCDRO COc1cccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1O ZINC000271206519 456171217 /nfs/dbraw/zinc/17/12/17/456171217.db2.gz SMOQTAHKZLZHRT-UHFFFAOYSA-N 1 0 346.471 3.062 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)CCCCCC[NH3+])cc2)CC1 ZINC000236730876 456176453 /nfs/dbraw/zinc/17/64/53/456176453.db2.gz HZQFIDXORDAKCW-UHFFFAOYSA-N 1 0 331.504 3.448 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000271277144 456202859 /nfs/dbraw/zinc/20/28/59/456202859.db2.gz LDCBFUHEWZKLFU-CQSZACIVSA-N 1 0 342.443 3.166 20 10 EGCDRO COC[C@]1(C[NH2+][C@H](C)c2ccc(C)cc2O)OCCc2ccccc21 ZINC000289982633 456205280 /nfs/dbraw/zinc/20/52/80/456205280.db2.gz XYUAIPVDMNPRAQ-IERDGZPVSA-N 1 0 341.451 3.466 20 10 EGCDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273351856 456224409 /nfs/dbraw/zinc/22/44/09/456224409.db2.gz BZFSPGUGTPRNED-HNNXBMFYSA-N 1 0 342.439 3.098 20 10 EGCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273405988 456229091 /nfs/dbraw/zinc/22/90/91/456229091.db2.gz OMZAKWPZULYBFJ-KSSFIOAISA-N 1 0 345.439 3.410 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c(O)c1C ZINC000273431117 456229986 /nfs/dbraw/zinc/22/99/86/456229986.db2.gz VRVRZEKSMYKSFM-CQSZACIVSA-N 1 0 330.403 3.229 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000273440185 456231130 /nfs/dbraw/zinc/23/11/30/456231130.db2.gz YGISTQKLZRFXFR-LBPRGKRZSA-N 1 0 334.460 3.139 20 10 EGCDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Br)ccc1O ZINC000273502177 456234478 /nfs/dbraw/zinc/23/44/78/456234478.db2.gz QKLDKJMHCCJQAN-WRWORJQWSA-N 1 0 342.155 3.119 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)c1O ZINC000237221567 456249906 /nfs/dbraw/zinc/24/99/06/456249906.db2.gz BIMBISPTEJFPGE-UHFFFAOYSA-N 1 0 339.338 3.301 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000274214486 456252348 /nfs/dbraw/zinc/25/23/48/456252348.db2.gz AEDCTZOLQRNJSC-UHFFFAOYSA-N 1 0 330.501 3.167 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCNc3ncc(C)s3)CC2)cc1 ZINC000302133827 456295123 /nfs/dbraw/zinc/29/51/23/456295123.db2.gz ZBPGYPDQFKBRJZ-UHFFFAOYSA-N 1 0 346.500 3.084 20 10 EGCDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000290418112 456321830 /nfs/dbraw/zinc/32/18/30/456321830.db2.gz KNRTVFPIOTZFEH-UHFFFAOYSA-N 1 0 340.467 3.497 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc1 ZINC000275986921 456365379 /nfs/dbraw/zinc/36/53/79/456365379.db2.gz JGPCXZPULGAGQQ-UHFFFAOYSA-N 1 0 341.503 3.323 20 10 EGCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000303116547 456446942 /nfs/dbraw/zinc/44/69/42/456446942.db2.gz UMOXEUCFYXHPLH-FQEVSTJZSA-N 1 0 344.430 3.080 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc2ccccc2c1O ZINC000325761986 456686494 /nfs/dbraw/zinc/68/64/94/456686494.db2.gz BFBXSRBYXNVDJW-BHYGNILZSA-N 1 0 326.440 3.059 20 10 EGCDRO CCNC(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000277527123 456852403 /nfs/dbraw/zinc/85/24/03/456852403.db2.gz XWVCWQIQKJUYPQ-UHFFFAOYSA-N 1 0 338.451 3.455 20 10 EGCDRO Cc1nn(C)c2ncc(C[NH2+]Cc3c(C)c4ccccc4n3C)cc12 ZINC000355141329 457344765 /nfs/dbraw/zinc/34/47/65/457344765.db2.gz ZNJKMVSMLCZUHW-UHFFFAOYSA-N 1 0 333.439 3.367 20 10 EGCDRO c1ccc(O[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000374257012 457548903 /nfs/dbraw/zinc/54/89/03/457548903.db2.gz BWYPPXIPFQGEPW-NRFANRHFSA-N 1 0 338.451 3.177 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000371327198 457868409 /nfs/dbraw/zinc/86/84/09/457868409.db2.gz MIEPMADJFGRQJN-RYUDHWBXSA-N 1 0 326.234 3.013 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367270604 457939927 /nfs/dbraw/zinc/93/99/27/457939927.db2.gz LRXUZDDTOYDKEH-ZWKOTPCHSA-N 1 0 345.487 3.331 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(Br)cc1O ZINC000376891696 458415198 /nfs/dbraw/zinc/41/51/98/458415198.db2.gz DOXIXEGTNBPJCH-RJIBLYRGSA-N 1 0 326.234 3.373 20 10 EGCDRO C=Cn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000373198332 458426920 /nfs/dbraw/zinc/42/69/20/458426920.db2.gz PPBYJSXRODNOLI-KRWDZBQOSA-N 1 0 346.862 3.097 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000472219724 458774060 /nfs/dbraw/zinc/77/40/60/458774060.db2.gz HLAIIXOHAJKERA-GDBMZVCRSA-N 1 0 342.487 3.111 20 10 EGCDRO COC[C@]1([NH2+]Cc2cc(Cl)ccc2O)COc2ccccc2C1 ZINC000527801553 459741829 /nfs/dbraw/zinc/74/18/29/459741829.db2.gz SJGBPNPCRWSEFC-SFHVURJKSA-N 1 0 333.815 3.156 20 10 EGCDRO C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662513654 461277728 /nfs/dbraw/zinc/27/77/28/461277728.db2.gz CPINFSQIJOSCND-HNNXBMFYSA-N 1 0 335.451 3.065 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cc(Br)ccc1O ZINC000037017380 522917682 /nfs/dbraw/zinc/91/76/82/522917682.db2.gz IJTPXQGYCQUZBO-JOYOIKCWSA-N 1 0 339.237 3.085 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000729596450 574872651 /nfs/dbraw/zinc/87/26/51/574872651.db2.gz BASXUICFGDRUOW-SFHVURJKSA-N 1 0 346.519 3.064 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000731018447 575045055 /nfs/dbraw/zinc/04/50/55/575045055.db2.gz SXOSJIZDSLJNAD-IBGZPJMESA-N 1 0 337.467 3.308 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1F ZINC000731345709 575067212 /nfs/dbraw/zinc/06/72/12/575067212.db2.gz GNKQWFZNBOLKJM-SFHVURJKSA-N 1 0 335.467 3.163 20 10 EGCDRO CCOc1ccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c(O)c1 ZINC000731360566 575068073 /nfs/dbraw/zinc/06/80/73/575068073.db2.gz IZMCRLXXWOHDBB-UHFFFAOYSA-N 1 0 346.471 3.062 20 10 EGCDRO CN(C)c1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC000732257787 575253585 /nfs/dbraw/zinc/25/35/85/575253585.db2.gz BSOFFDPIRLCGKB-SFHVURJKSA-N 1 0 345.874 3.325 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000732290757 575255888 /nfs/dbraw/zinc/25/58/88/575255888.db2.gz ZVZZMIXJEIGERT-IBGZPJMESA-N 1 0 329.488 3.023 20 10 EGCDRO CC(C)[C@H]1CC(=O)N(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000733293400 575325462 /nfs/dbraw/zinc/32/54/62/575325462.db2.gz NDUWKBCEXGUSES-SFHVURJKSA-N 1 0 331.504 3.425 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)cc1F ZINC000733325718 575327946 /nfs/dbraw/zinc/32/79/46/575327946.db2.gz VLDPJFSRZUFEJT-UHFFFAOYSA-N 1 0 335.810 3.273 20 10 EGCDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740898241 576635061 /nfs/dbraw/zinc/63/50/61/576635061.db2.gz JEXZGCZQDLDBEZ-GJZGRUSLSA-N 1 0 335.448 3.082 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)cc1C ZINC000742369645 576774385 /nfs/dbraw/zinc/77/43/85/576774385.db2.gz BMHYWFNVYXWLQX-UHFFFAOYSA-N 1 0 330.472 3.280 20 10 EGCDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742373043 576775155 /nfs/dbraw/zinc/77/51/55/576775155.db2.gz DTENZQNIMXXSJZ-MRXNPFEDSA-N 1 0 335.448 3.226 20 10 EGCDRO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@H]1CCCO1 ZINC000743272531 576804973 /nfs/dbraw/zinc/80/49/73/576804973.db2.gz XFZLCPJBGCSIPK-HXUWFJFHSA-N 1 0 332.488 3.303 20 10 EGCDRO C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000743716287 576815167 /nfs/dbraw/zinc/81/51/67/576815167.db2.gz ODMDMRBEFVVVFA-QLFBSQMISA-N 1 0 330.472 3.149 20 10 EGCDRO CCCCCC[N@H+](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719884 576815299 /nfs/dbraw/zinc/81/52/99/576815299.db2.gz YLMLQOSNMJQZOF-UHFFFAOYSA-N 1 0 332.488 3.399 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821198310 606410511 /nfs/dbraw/zinc/41/05/11/606410511.db2.gz RJPMRGPRIOUBAD-UHFFFAOYSA-N 1 0 342.472 3.064 20 10 EGCDRO COc1ccc(C[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1Cn1cccn1 ZINC000873094942 1297271215 /nfs/dbraw/zinc/27/12/15/1297271215.db2.gz IZQNYSXLMKTLNY-LJQANCHMSA-N 1 0 345.487 3.073 20 10 EGCDRO Cc1cc(C)n(CCC[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000691448286 1298133810 /nfs/dbraw/zinc/13/38/10/1298133810.db2.gz FJLJXQNFLQUBPY-UHFFFAOYSA-N 1 0 338.249 3.148 20 10 EGCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(Br)cc1O ZINC000691440471 1298134458 /nfs/dbraw/zinc/13/44/58/1298134458.db2.gz QVKFVEBCIUTFSQ-ZDUSSCGKSA-N 1 0 336.233 3.055 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000877571690 1299407079 /nfs/dbraw/zinc/40/70/79/1299407079.db2.gz HTOFTOXYPPGGGN-NJAFHUGGSA-N 1 0 329.444 3.184 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000877571689 1299407124 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Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc(Cl)n1 ZINC000827661603 1292352792 /nfs/dbraw/zinc/35/27/92/1292352792.db2.gz CHAPNMDRDWYTIW-UHFFFAOYSA-N 1 0 345.874 3.294 20 10 EGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827661873 1292352908 /nfs/dbraw/zinc/35/29/08/1292352908.db2.gz HYUCPCJORNYRGE-MRXNPFEDSA-N 1 0 340.467 3.074 20 10 EGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CS1 ZINC000827662811 1292354119 /nfs/dbraw/zinc/35/41/19/1292354119.db2.gz VNTRDCXFQZGNHJ-QFBILLFUSA-N 1 0 334.529 3.267 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)ccc1N1CCCCC1 ZINC000828549231 1292473539 /nfs/dbraw/zinc/47/35/39/1292473539.db2.gz BMVIDYKUFONKLX-IBGZPJMESA-N 1 0 341.499 3.182 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)CC1 ZINC000828987807 1292525976 /nfs/dbraw/zinc/52/59/76/1292525976.db2.gz FEANZYLEXMAPMU-UHFFFAOYSA-N 1 0 349.478 3.456 20 10 EGCDRO COC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@H](C)O1 ZINC000829113505 1292543020 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EGCDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000832274854 1292980575 /nfs/dbraw/zinc/98/05/75/1292980575.db2.gz ZXNKNLZLAJQZSY-UGSOOPFHSA-N 1 0 345.874 3.326 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000832286372 1292981840 /nfs/dbraw/zinc/98/18/40/1292981840.db2.gz YSHOATJSROKZLS-KXDMBUCYSA-N 1 0 341.499 3.085 20 10 EGCDRO CC[NH+](CC)[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000104853265 1293027212 /nfs/dbraw/zinc/02/72/12/1293027212.db2.gz HXHXURWOSKIBEB-LJQANCHMSA-N 1 0 326.440 3.434 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000109992373 1293092808 /nfs/dbraw/zinc/09/28/08/1293092808.db2.gz DXGMGYGACNLTBX-OAHLLOKOSA-N 1 0 345.874 3.429 20 10 EGCDRO CN(C(=O)C[N@H+](C)Cc1ccccc1O)[C@H]1CCCc2ccccc21 ZINC000111235341 1293102173 /nfs/dbraw/zinc/10/21/73/1293102173.db2.gz XHNFEVOYGWKJSU-IBGZPJMESA-N 1 0 338.451 3.360 20 10 EGCDRO CCC(CC)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000834502936 1293106987 /nfs/dbraw/zinc/10/69/87/1293106987.db2.gz USTQLXXVPLCSOH-QZTJIDSGSA-N 1 0 332.488 3.106 20 10 EGCDRO O=C1CCCN1C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834514236 1293108946 /nfs/dbraw/zinc/10/89/46/1293108946.db2.gz RTJBARUCZLHMDA-ROUUACIJSA-N 1 0 336.435 3.333 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cc(Cl)ccc1O ZINC000834884277 1293163898 /nfs/dbraw/zinc/16/38/98/1293163898.db2.gz XUFAFZZKNQDSAW-NSHDSACASA-N 1 0 339.844 3.300 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)NCCc1ccccc1 ZINC000834896047 1293167620 /nfs/dbraw/zinc/16/76/20/1293167620.db2.gz HLQMVIVSJLFPAX-KBPBESRZSA-N 1 0 346.858 3.444 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c(O)c1C ZINC000834910579 1293173961 /nfs/dbraw/zinc/17/39/61/1293173961.db2.gz FFQPFWJKRAGBFS-UXLLHSPISA-N 1 0 329.444 3.313 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(C)cc1O ZINC000834911992 1293175444 /nfs/dbraw/zinc/17/54/44/1293175444.db2.gz PDWWEOONCHJSEB-GOEBONIOSA-N 1 0 327.428 3.472 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000834915985 1293176060 /nfs/dbraw/zinc/17/60/60/1293176060.db2.gz WDGZRLQTEPCVMO-IJEWVQPXSA-N 1 0 338.879 3.395 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Cl)ccc1O ZINC000834914428 1293176290 /nfs/dbraw/zinc/17/62/90/1293176290.db2.gz USQHGHBSQXCICO-DETPVDSQSA-N 1 0 335.835 3.350 20 10 EGCDRO CCC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccccc1O ZINC000114717512 1293176573 /nfs/dbraw/zinc/17/65/73/1293176573.db2.gz ZBDWJYLCZOYQLV-UHFFFAOYSA-N 1 0 344.430 3.402 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000835069191 1293198608 /nfs/dbraw/zinc/19/86/08/1293198608.db2.gz KWTYLHAEHVCFKD-HOCLYGCPSA-N 1 0 334.460 3.375 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121627517 1293381339 /nfs/dbraw/zinc/38/13/39/1293381339.db2.gz CBJWGZCLQMTMDJ-UFYCRDLUSA-N 1 0 342.483 3.211 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]CCOc2ncccc2C(F)(F)F)c1 ZINC000122894757 1293428519 /nfs/dbraw/zinc/42/85/19/1293428519.db2.gz YZXQCPYCCBXKDC-UHFFFAOYSA-N 1 0 326.318 3.283 20 10 EGCDRO C[C@H](c1cccnc1)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000126344490 1293531599 /nfs/dbraw/zinc/53/15/99/1293531599.db2.gz AULJAIKNXDBPGH-CQSZACIVSA-N 1 0 331.847 3.319 20 10 EGCDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc(Br)ccc1O ZINC000128070904 1293582221 /nfs/dbraw/zinc/58/22/21/1293582221.db2.gz YAAUWJJJQPRSML-UBHSHLNASA-N 1 0 328.250 3.355 20 10 EGCDRO COC[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000130108674 1293644070 /nfs/dbraw/zinc/64/40/70/1293644070.db2.gz VRNYFIFTQVQKBB-PBHICJAKSA-N 1 0 340.414 3.271 20 10 EGCDRO CC[C@@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000130267795 1293650367 /nfs/dbraw/zinc/65/03/67/1293650367.db2.gz YHSGFQQKOVBNSG-LJQANCHMSA-N 1 0 341.455 3.032 20 10 EGCDRO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000133589765 1293748508 /nfs/dbraw/zinc/74/85/08/1293748508.db2.gz RATWWZIVNIHONI-KRWDZBQOSA-N 1 0 331.504 3.364 20 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/nfs/dbraw/zinc/26/89/57/1294268957.db2.gz AZOVXSQZKFMTBN-LBPRGKRZSA-N 1 0 344.249 3.211 20 10 EGCDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164212244 1294345469 /nfs/dbraw/zinc/34/54/69/1294345469.db2.gz MLZHDEBCQBINSJ-CVEARBPZSA-N 1 0 348.487 3.226 20 10 EGCDRO COc1cc(C[NH+]2CCC(C3OCCO3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164369422 1294347660 /nfs/dbraw/zinc/34/76/60/1294347660.db2.gz HHZIGKOVPQICEI-UHFFFAOYSA-N 1 0 349.471 3.283 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)CC(C)(C)OC)c1O ZINC000174555076 1294508405 /nfs/dbraw/zinc/50/84/05/1294508405.db2.gz GRBZRELMZMJETA-SNVBAGLBSA-N 1 0 346.265 3.457 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC2)cc1 ZINC000180702716 1294908564 /nfs/dbraw/zinc/90/85/64/1294908564.db2.gz ODVKOLBBONGPSO-HNNXBMFYSA-N 1 0 348.487 3.374 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000182436543 1295047126 /nfs/dbraw/zinc/04/71/26/1295047126.db2.gz GELVUFMBZPDIEP-UONOGXRCSA-N 1 0 338.411 3.393 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc(C)cc2C)c1 ZINC000182460020 1295048088 /nfs/dbraw/zinc/04/80/88/1295048088.db2.gz GAVBNMGGJOBYAD-HOTGVXAUSA-N 1 0 345.439 3.108 20 10 EGCDRO C[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000183258739 1295108214 /nfs/dbraw/zinc/10/82/14/1295108214.db2.gz VKZBXFRTVKOISH-HNNXBMFYSA-N 1 0 331.485 3.215 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC000184268495 1295184639 /nfs/dbraw/zinc/18/46/39/1295184639.db2.gz UIWIBBFMAHLTKC-UHFFFAOYSA-N 1 0 345.393 3.359 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c1 ZINC000184967863 1295232703 /nfs/dbraw/zinc/23/27/03/1295232703.db2.gz OWNKPUVBGCYTTB-HNNXBMFYSA-N 1 0 337.423 3.480 20 10 EGCDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000186015735 1295298096 /nfs/dbraw/zinc/29/80/96/1295298096.db2.gz RZNURHVRRZIPCU-LBPRGKRZSA-N 1 0 334.366 3.141 20 10 EGCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000186720147 1295344997 /nfs/dbraw/zinc/34/49/97/1295344997.db2.gz FHQULEQPMAUDFP-GOSISDBHSA-N 1 0 339.407 3.191 20 10 EGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000189367833 1295517215 /nfs/dbraw/zinc/51/72/15/1295517215.db2.gz LHPACBWUIWNSRE-OAHLLOKOSA-N 1 0 333.476 3.099 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@H+](C)CC3(N(C)C)CCC3)c2c1 ZINC000189793917 1295544311 /nfs/dbraw/zinc/54/43/11/1295544311.db2.gz WPSPMMYDYAEXGJ-UHFFFAOYSA-N 1 0 328.456 3.470 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000219097086 1296123646 /nfs/dbraw/zinc/12/36/46/1296123646.db2.gz NMRASJBJSINRIA-ZDUSSCGKSA-N 1 0 328.231 3.039 20 10 EGCDRO CCCc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000870933649 1296144255 /nfs/dbraw/zinc/14/42/55/1296144255.db2.gz SKNIAAYSFKSCKJ-INIZCTEOSA-N 1 0 331.485 3.196 20 10 EGCDRO COCC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000234676884 1296179939 /nfs/dbraw/zinc/17/99/39/1296179939.db2.gz ZHFDDBJWAZBSQW-UHFFFAOYSA-N 1 0 327.266 3.175 20 10 EGCDRO Oc1ccc(Br)cc1CN1CC[NH2+]Cc2ccccc21 ZINC000236614752 1296191932 /nfs/dbraw/zinc/19/19/32/1296191932.db2.gz BPLJTIXCOSDDCC-UHFFFAOYSA-N 1 0 333.229 3.265 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCC(=O)N(C)C)cc1 ZINC000236961184 1296213048 /nfs/dbraw/zinc/21/30/48/1296213048.db2.gz ARLNQRNWJRILFC-UHFFFAOYSA-N 1 0 339.483 3.281 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[C@H](C)N1CCOCC1 ZINC000248003108 1296404035 /nfs/dbraw/zinc/40/40/35/1296404035.db2.gz KPDYSSJNBCHIEX-QYZOEREBSA-N 1 0 345.531 3.437 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000248003106 1296404654 /nfs/dbraw/zinc/40/46/54/1296404654.db2.gz KPDYSSJNBCHIEX-FHWLQOOXSA-N 1 0 345.531 3.437 20 10 EGCDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000248102346 1296405371 /nfs/dbraw/zinc/40/53/71/1296405371.db2.gz HUXYBZFUSCNWFK-UHFFFAOYSA-N 1 0 331.504 3.366 20 10 EGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305170336 1296990837 /nfs/dbraw/zinc/99/08/37/1296990837.db2.gz ZPVCRDWWIKREDK-DOXZYTNZSA-N 1 0 338.467 3.110 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(F)ccc1O ZINC000311844315 1297113134 /nfs/dbraw/zinc/11/31/34/1297113134.db2.gz OCOZIZOIZHHCQF-CRAIPNDOSA-N 1 0 344.430 3.083 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1C ZINC000873020906 1297228797 /nfs/dbraw/zinc/22/87/97/1297228797.db2.gz FIJGWBWMXYWONC-GOSISDBHSA-N 1 0 343.471 3.140 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000325727696 1297230433 /nfs/dbraw/zinc/23/04/33/1297230433.db2.gz OIEHBLPQUXKUDD-IBGZPJMESA-N 1 0 329.488 3.168 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000326361757 1297236531 /nfs/dbraw/zinc/23/65/31/1297236531.db2.gz COJQGHRMLDYGKT-SFHVURJKSA-N 1 0 343.515 3.415 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1C ZINC000873059758 1297253816 /nfs/dbraw/zinc/25/38/16/1297253816.db2.gz YLNSQHXMQXWDLF-DLBZAZTESA-N 1 0 339.501 3.229 20 10 EGCDRO CCC1(O)CCC([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873099732 1297272752 /nfs/dbraw/zinc/27/27/52/1297272752.db2.gz BTTXXZGULHNASS-UHFFFAOYSA-N 1 0 343.471 3.113 20 10 EGCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cn1 ZINC000873128817 1297285895 /nfs/dbraw/zinc/28/58/95/1297285895.db2.gz AMXBNHLCSGBZDP-HNNXBMFYSA-N 1 0 339.443 3.007 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(C)c(C)n2)cc1Cn1cccn1 ZINC000873130726 1297287604 /nfs/dbraw/zinc/28/76/04/1297287604.db2.gz IPOKKELNDQKOMD-UHFFFAOYSA-N 1 0 336.439 3.242 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)c1 ZINC000873195486 1297340152 /nfs/dbraw/zinc/34/01/52/1297340152.db2.gz NCWKHFDSKBRHNL-JLTOFOAXSA-N 1 0 345.439 3.238 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Br)cc(Cl)c1[O-] ZINC000873256169 1297393032 /nfs/dbraw/zinc/39/30/32/1297393032.db2.gz KRPIZDBHEPKMCT-NQMVMOMDSA-N 1 0 333.657 3.196 20 10 EGCDRO CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000383814664 1297575073 /nfs/dbraw/zinc/57/50/73/1297575073.db2.gz GSAXDDLXHVQHLE-HNNXBMFYSA-N 1 0 332.444 3.369 20 10 EGCDRO CC[C@H]([NH2+]CCc1cnccn1)c1cc(Br)ccc1O ZINC000390113876 1297622087 /nfs/dbraw/zinc/62/20/87/1297622087.db2.gz VBUPVTJRDIVZQX-AWEZNQCLSA-N 1 0 336.233 3.228 20 10 EGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1C(=O)OC(C)(C)C ZINC000690844516 1298130016 /nfs/dbraw/zinc/13/00/16/1298130016.db2.gz VGEXXEULWZFVDD-YOEHRIQHSA-N 1 0 346.471 3.499 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1C(=O)OC(C)(C)C ZINC000690844514 1298130052 /nfs/dbraw/zinc/13/00/52/1298130052.db2.gz VGEXXEULWZFVDD-RHSMWYFYSA-N 1 0 346.471 3.499 20 10 EGCDRO Oc1cccc(Br)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000707144976 1298226715 /nfs/dbraw/zinc/22/67/15/1298226715.db2.gz CIVCXTNHJMPFIX-CYBMUJFWSA-N 1 0 339.277 3.215 20 10 EGCDRO C[NH+](C)CCCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708155727 1298238533 /nfs/dbraw/zinc/23/85/33/1298238533.db2.gz FAVWKCBMDQMRQT-UHFFFAOYSA-N 1 0 335.673 3.240 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000715089238 1298276395 /nfs/dbraw/zinc/27/63/95/1298276395.db2.gz AYVNLTFLOMVQFZ-KOMQPUFPSA-N 1 0 332.444 3.014 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1C ZINC000725842713 1298372300 /nfs/dbraw/zinc/37/23/00/1298372300.db2.gz MMNWBJWWJQGQIW-JKSUJKDBSA-N 1 0 338.451 3.460 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]C[C@@H]2COCCO2)c(O)c(C(C)(C)C)c1 ZINC000725846449 1298373971 /nfs/dbraw/zinc/37/39/71/1298373971.db2.gz FIZQVMLOHJIALH-MRXNPFEDSA-N 1 0 335.488 3.492 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000745840711 1298490246 /nfs/dbraw/zinc/49/02/46/1298490246.db2.gz UAJRXKYTDVKDDT-IBGZPJMESA-N 1 0 346.519 3.159 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2nccnc2c1 ZINC000876550886 1298820174 /nfs/dbraw/zinc/82/01/74/1298820174.db2.gz FXHVXXICAOJCHV-UHFFFAOYSA-N 1 0 348.450 3.098 20 10 EGCDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c(O)c1 ZINC000876551186 1298820842 /nfs/dbraw/zinc/82/08/42/1298820842.db2.gz RFDXNZCARFHHRW-UHFFFAOYSA-N 1 0 326.440 3.169 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000876568221 1298834722 /nfs/dbraw/zinc/83/47/22/1298834722.db2.gz GLFNGVOSVOCRKI-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(C)cccc1O ZINC000876688733 1298921520 /nfs/dbraw/zinc/92/15/20/1298921520.db2.gz MPPONDJQSHXURM-UHFFFAOYSA-N 1 0 326.440 3.425 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000876748801 1298956228 /nfs/dbraw/zinc/95/62/28/1298956228.db2.gz HSDLUDKJXXVDTI-UHFFFAOYSA-N 1 0 331.847 3.067 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]3Cc3ccccc3)cc2)CC1 ZINC000876774197 1298976704 /nfs/dbraw/zinc/97/67/04/1298976704.db2.gz OCUDVBFAUXQCDQ-NRFANRHFSA-N 1 0 336.479 3.465 20 10 EGCDRO O=C(NCc1ccccc1O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000748463529 1299015027 /nfs/dbraw/zinc/01/50/27/1299015027.db2.gz UVVRQUGNOPDVFJ-INIZCTEOSA-N 1 0 343.427 3.012 20 10 EGCDRO Cc1ccc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)c(O)c1 ZINC000876836023 1299024488 /nfs/dbraw/zinc/02/44/88/1299024488.db2.gz KHZWBUAPPZWNJN-UHFFFAOYSA-N 1 0 326.440 3.269 20 10 EGCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000876965828 1299091685 /nfs/dbraw/zinc/09/16/85/1299091685.db2.gz LSQGYTXEWMFFOH-UHFFFAOYSA-N 1 0 342.458 3.428 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000876999792 1299108050 /nfs/dbraw/zinc/10/80/50/1299108050.db2.gz YZRWCMSAXZGREU-GFCCVEGCSA-N 1 0 329.271 3.447 20 10 EGCDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877019563 1299116709 /nfs/dbraw/zinc/11/67/09/1299116709.db2.gz ZMHNJUFRKFLQIQ-INIZCTEOSA-N 1 0 340.467 3.074 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Oc1ccccc1 ZINC000877047355 1299130957 /nfs/dbraw/zinc/13/09/57/1299130957.db2.gz XSAUYACYCKZASK-KRWDZBQOSA-N 1 0 340.467 3.205 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)c(O)c1 ZINC000877118788 1299164739 /nfs/dbraw/zinc/16/47/39/1299164739.db2.gz MYCPVMQZSKZQCQ-AWEZNQCLSA-N 1 0 333.457 3.300 20 10 EGCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000749258550 1299180405 /nfs/dbraw/zinc/18/04/05/1299180405.db2.gz VVVFHFNTEDVMLJ-LJQANCHMSA-N 1 0 342.483 3.294 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000877476899 1299327498 /nfs/dbraw/zinc/32/74/98/1299327498.db2.gz QQUGQEJWDVPUNR-IBGZPJMESA-N 1 0 340.467 3.081 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c(O)c1 ZINC000877476428 1299327992 /nfs/dbraw/zinc/32/79/92/1299327992.db2.gz DLKPGHBVZWFYAI-HXUWFJFHSA-N 1 0 340.467 3.081 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000877500277 1299350742 /nfs/dbraw/zinc/35/07/42/1299350742.db2.gz REXMSBDFBRLHMV-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1(Cl)Cl ZINC000877565158 1299402120 /nfs/dbraw/zinc/40/21/20/1299402120.db2.gz UHJQCUQUBKPOGD-INIZCTEOSA-N 1 0 343.298 3.321 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000877574163 1299409081 /nfs/dbraw/zinc/40/90/81/1299409081.db2.gz BTCIHXKJEXPMFR-HUUCEWRRSA-N 1 0 334.460 3.484 20 10 EGCDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877585992 1299415386 /nfs/dbraw/zinc/41/53/86/1299415386.db2.gz ZDHXKZYPPYYSLV-LJQANCHMSA-N 1 0 332.488 3.039 20 10 EGCDRO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877611694 1299431792 /nfs/dbraw/zinc/43/17/92/1299431792.db2.gz YFZYIHWTAILFKV-HXUWFJFHSA-N 1 0 332.488 3.037 20 10 EGCDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000877675779 1299471638 /nfs/dbraw/zinc/47/16/38/1299471638.db2.gz UHDYQKGCBKGQAA-FQEVSTJZSA-N 1 0 329.488 3.168 20 10 EGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2)C1 ZINC000752940121 1299825369 /nfs/dbraw/zinc/82/53/69/1299825369.db2.gz XHVOFGVKRBXYTO-KRWDZBQOSA-N 1 0 341.499 3.201 20 10 EGCDRO COc1cc(OC)cc(OCCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000754047584 1300070543 /nfs/dbraw/zinc/07/05/43/1300070543.db2.gz MRINVOORXKAVMX-UHFFFAOYSA-N 1 0 343.423 3.197 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000756035037 1300429194 /nfs/dbraw/zinc/42/91/94/1300429194.db2.gz SACRZRICNJFMID-ZAMGYDSWSA-N 1 0 333.453 3.379 20 10 EGCDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2ccccc2O)cn1 ZINC000756114148 1300441017 /nfs/dbraw/zinc/44/10/17/1300441017.db2.gz NVHGEXMFZQBGQY-UHFFFAOYSA-N 1 0 329.400 3.424 20 10 EGCDRO C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756358941 1300475944 /nfs/dbraw/zinc/47/59/44/1300475944.db2.gz BKUUINVOZCWABO-NSHDSACASA-N 1 0 345.256 3.430 20 10 EGCDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000879312819 1300479814 /nfs/dbraw/zinc/47/98/14/1300479814.db2.gz AJENJRWZXGVIKV-HXUWFJFHSA-N 1 0 332.488 3.039 20 10 EGCDRO COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000756381501 1300480883 /nfs/dbraw/zinc/48/08/83/1300480883.db2.gz MCLROTZAQHGGKR-RGYTYGDFSA-N 1 0 331.387 3.411 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c(O)c1C ZINC000756385621 1300481487 /nfs/dbraw/zinc/48/14/87/1300481487.db2.gz UFOQEDZOGSULJZ-CQSZACIVSA-N 1 0 348.468 3.231 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)c(O)c1C ZINC000756457768 1300495904 /nfs/dbraw/zinc/49/59/04/1300495904.db2.gz LBNQVYCIHWFWPH-HOCLYGCPSA-N 1 0 333.403 3.239 20 10 EGCDRO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000756569825 1300523204 /nfs/dbraw/zinc/52/32/04/1300523204.db2.gz RWSRVELVVMRCNA-GFCCVEGCSA-N 1 0 330.394 3.416 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2c1c(F)ccc2O ZINC000756645356 1300540322 /nfs/dbraw/zinc/54/03/22/1300540322.db2.gz IWWFUEMVNWGIHP-TYNCELHUSA-N 1 0 345.393 3.482 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1C ZINC000756737069 1300556755 /nfs/dbraw/zinc/55/67/55/1300556755.db2.gz CYHARMLBCNULGN-SOUVJXGZSA-N 1 0 325.474 3.015 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000756737074 1300557185 /nfs/dbraw/zinc/55/71/85/1300557185.db2.gz DEELGLMSNABNAC-UHTWSYAYSA-N 1 0 331.865 3.052 20 10 EGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C2 ZINC000756774944 1300564399 /nfs/dbraw/zinc/56/43/99/1300564399.db2.gz MPRQQQZXHYWTLY-GWCFXTLKSA-N 1 0 335.350 3.333 20 10 EGCDRO CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648515 1300648209 /nfs/dbraw/zinc/64/82/09/1300648209.db2.gz RVPCXGIAJAIIQX-OAHLLOKOSA-N 1 0 342.439 3.146 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21)c1ccccc1O ZINC000879649297 1300649718 /nfs/dbraw/zinc/64/97/18/1300649718.db2.gz PXVNOFUSYNMFDO-QLVMHMETSA-N 1 0 341.451 3.498 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NCc1ccccc1Cl ZINC000879650058 1300650038 /nfs/dbraw/zinc/65/00/38/1300650038.db2.gz ZHINOEHSSVJRQP-CHWSQXEVSA-N 1 0 332.831 3.401 20 10 EGCDRO Cc1c[nH+]ccc1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000757701782 1300714987 /nfs/dbraw/zinc/71/49/87/1300714987.db2.gz IYFRFFHDXKPILV-GJZGRUSLSA-N 1 0 329.419 3.177 20 10 EGCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000757918825 1300757839 /nfs/dbraw/zinc/75/78/39/1300757839.db2.gz HILZKJXJBOVIGD-HNNXBMFYSA-N 1 0 344.249 3.285 20 10 EGCDRO COCC1(O)CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000758375172 1300864931 /nfs/dbraw/zinc/86/49/31/1300864931.db2.gz OHJZQHAMSBZSQO-UHFFFAOYSA-N 1 0 341.407 3.265 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000758530635 1300904661 /nfs/dbraw/zinc/90/46/61/1300904661.db2.gz VGUPXGVYSPHXDH-UYAOXDASSA-N 1 0 345.414 3.186 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c1O ZINC000758621359 1300923668 /nfs/dbraw/zinc/92/36/68/1300923668.db2.gz VIBYAIDVLJPQOE-INIZCTEOSA-N 1 0 339.395 3.166 20 10 EGCDRO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](CO)c1ccccc1 ZINC000880461673 1301127602 /nfs/dbraw/zinc/12/76/02/1301127602.db2.gz MIDMTISQMIMYNO-GOSISDBHSA-N 1 0 331.387 3.289 20 10 EGCDRO CC1(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000760454879 1301274404 /nfs/dbraw/zinc/27/44/04/1301274404.db2.gz MNXMTDDWJJDBLP-HNNXBMFYSA-N 1 0 336.863 3.316 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc3c2OCCO3)c1O ZINC000761201578 1301419392 /nfs/dbraw/zinc/41/93/92/1301419392.db2.gz DHIFHVAREWGHRS-UHFFFAOYSA-N 1 0 335.787 3.115 20 10 EGCDRO Cn1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000761225733 1301424565 /nfs/dbraw/zinc/42/45/65/1301424565.db2.gz HLAJNHQWLIJVLM-UHFFFAOYSA-N 1 0 337.423 3.037 20 10 EGCDRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc2ccccc2c1O ZINC000763559549 1301923641 /nfs/dbraw/zinc/92/36/41/1301923641.db2.gz SZTDFWRZILUUOU-LIRRHRJNSA-N 1 0 329.440 3.374 20 10 EGCDRO CC[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[NH+](CC)CC ZINC000764266492 1302035831 /nfs/dbraw/zinc/03/58/31/1302035831.db2.gz FKUQVOPRLZCUII-ROUUACIJSA-N 1 0 348.487 3.020 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC000764625836 1302103577 /nfs/dbraw/zinc/10/35/77/1302103577.db2.gz MFFJZESQIRHWRG-PXNSSMCTSA-N 1 0 333.520 3.150 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(N(C)C)cc1 ZINC000764807262 1302139201 /nfs/dbraw/zinc/13/92/01/1302139201.db2.gz DDSVTHYZFHSONI-ICSRJNTNSA-N 1 0 328.456 3.233 20 10 EGCDRO Cc1csc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000764881507 1302158176 /nfs/dbraw/zinc/15/81/76/1302158176.db2.gz UBQIGXHLTPMDBP-AWEZNQCLSA-N 1 0 349.475 3.321 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c(O)c1 ZINC000764979679 1302180009 /nfs/dbraw/zinc/18/00/09/1302180009.db2.gz NOVROTPRRPPJQR-GOSISDBHSA-N 1 0 335.831 3.442 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)c(F)c1 ZINC000883082794 1302238661 /nfs/dbraw/zinc/23/86/61/1302238661.db2.gz QPGKCPZHEQTWEO-OAHLLOKOSA-N 1 0 329.293 3.426 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765791221 1302328511 /nfs/dbraw/zinc/32/85/11/1302328511.db2.gz ZOXGZAKIWYDFRP-QZTJIDSGSA-N 1 0 331.504 3.048 20 10 EGCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765945070 1302355159 /nfs/dbraw/zinc/35/51/59/1302355159.db2.gz HTGWDUPUIXXVOS-IYOUNJFTSA-N 1 0 340.895 3.234 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000765977009 1302360886 /nfs/dbraw/zinc/36/08/86/1302360886.db2.gz PFQORJPRKYSURW-UWJYYQICSA-N 1 0 345.531 3.437 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000766005936 1302367194 /nfs/dbraw/zinc/36/71/94/1302367194.db2.gz SULRSFGFYIEMOE-ZACQAIPSSA-N 1 0 331.504 3.362 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1[O-] ZINC000883290262 1302369960 /nfs/dbraw/zinc/36/99/60/1302369960.db2.gz PNAPMECGNHYFQW-OAHLLOKOSA-N 1 0 343.446 3.134 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](CCO)c3cccs3)CC2)cc1 ZINC000766138368 1302399605 /nfs/dbraw/zinc/39/96/05/1302399605.db2.gz XNTCZXLVUBCQFP-SFHVURJKSA-N 1 0 346.496 3.439 20 10 EGCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000766214892 1302411071 /nfs/dbraw/zinc/41/10/71/1302411071.db2.gz QQEGVUXOUJGAOW-SUMDDJOVSA-N 1 0 343.515 3.303 20 10 EGCDRO Cc1cc(C(=O)CN2CC[N@@H+](C)CC2(C)C)c(C)n1-c1ccccc1 ZINC000766999580 1302562310 /nfs/dbraw/zinc/56/23/10/1302562310.db2.gz NSVLSYLYGWCRDV-UHFFFAOYSA-N 1 0 339.483 3.303 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3ccccc3OC)CC2)c(O)cc1C ZINC000768438661 1302901712 /nfs/dbraw/zinc/90/17/12/1302901712.db2.gz WNSGYOKJKKEHDQ-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440891 1302903608 /nfs/dbraw/zinc/90/36/08/1302903608.db2.gz VBPRHQZEDBPCQC-GOSISDBHSA-N 1 0 331.387 3.369 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](Cc1ccc(F)cc1F)C1CC1)[C@H](O)CO2 ZINC000768443215 1302907585 /nfs/dbraw/zinc/90/75/85/1302907585.db2.gz RMLVVLNZTNSVPE-GOSISDBHSA-N 1 0 347.361 3.261 20 10 EGCDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1O)OC[C@H]3O)CCC2 ZINC000768449587 1302909347 /nfs/dbraw/zinc/90/93/47/1302909347.db2.gz WQCFROFOUFEJCE-GDBMZVCRSA-N 1 0 346.452 3.092 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)cc1OC ZINC000768448634 1302910072 /nfs/dbraw/zinc/91/00/72/1302910072.db2.gz UHMCKJFLHOGDHO-QGZVFWFLSA-N 1 0 343.423 3.453 20 10 EGCDRO COC(=O)CCC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768464797 1302911590 /nfs/dbraw/zinc/91/15/90/1302911590.db2.gz VOGDJMYKWSSNLO-UHFFFAOYSA-N 1 0 331.456 3.436 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC000768532725 1302927469 /nfs/dbraw/zinc/92/74/69/1302927469.db2.gz ORQMFKFGXNJSLG-INIZCTEOSA-N 1 0 347.377 3.316 20 10 EGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000768589781 1302940789 /nfs/dbraw/zinc/94/07/89/1302940789.db2.gz XWDDXMRTWZDKLX-NZSAHSFTSA-N 1 0 343.515 3.304 20 10 EGCDRO COCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C)c1ccccc1 ZINC000768596621 1302942606 /nfs/dbraw/zinc/94/26/06/1302942606.db2.gz OMFWRFREJNUYDI-AWEZNQCLSA-N 1 0 329.396 3.331 20 10 EGCDRO C[C@H]([NH2+][C@H](CN1CCN(C)CC1)c1ccccc1)c1ccccc1O ZINC000769133882 1303053353 /nfs/dbraw/zinc/05/33/53/1303053353.db2.gz MSZOMXXOXISAFZ-FXAWDEMLSA-N 1 0 339.483 3.032 20 10 EGCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769209262 1303071375 /nfs/dbraw/zinc/07/13/75/1303071375.db2.gz GRYOLVPEPDHTJU-WBVHZDCISA-N 1 0 349.494 3.409 20 10 EGCDRO COc1cccc(O)c1C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000769328892 1303094000 /nfs/dbraw/zinc/09/40/00/1303094000.db2.gz DXVSUUQHFFQPGE-UHFFFAOYSA-N 1 0 340.467 3.497 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)cc1 ZINC000769934670 1303195505 /nfs/dbraw/zinc/19/55/05/1303195505.db2.gz TUIQZNJIJUGIQX-UHFFFAOYSA-N 1 0 331.504 3.317 20 10 EGCDRO Cc1ccsc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325882 1303434211 /nfs/dbraw/zinc/43/42/11/1303434211.db2.gz UHWMPUNFUHZXJV-UHFFFAOYSA-N 1 0 343.496 3.048 20 10 EGCDRO c1cnc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000886506192 1303480569 /nfs/dbraw/zinc/48/05/69/1303480569.db2.gz GMLDUXYMEGPPJJ-SFHVURJKSA-N 1 0 325.481 3.412 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1c([O-])cccc1F ZINC000886651531 1303539781 /nfs/dbraw/zinc/53/97/81/1303539781.db2.gz IXBBFXRSMUUWPJ-HNNXBMFYSA-N 1 0 343.446 3.134 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCC4)cc2)CC1 ZINC000886749163 1303583301 /nfs/dbraw/zinc/58/33/01/1303583301.db2.gz LHJIQOLLMBNFMT-IBGZPJMESA-N 1 0 341.499 3.201 20 10 EGCDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747626 1303583600 /nfs/dbraw/zinc/58/36/00/1303583600.db2.gz ZZBYUQMSLNLHTH-DNVCBOLYSA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773030928 1303611274 /nfs/dbraw/zinc/61/12/74/1303611274.db2.gz ZSPAFWYMUJFGQB-STQMWFEESA-N 1 0 326.893 3.333 20 10 EGCDRO C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000773228928 1303646682 /nfs/dbraw/zinc/64/66/82/1303646682.db2.gz KLYRPONKUCQHSH-OAHLLOKOSA-N 1 0 346.519 3.376 20 10 EGCDRO C[C@@H](NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773293847 1303656506 /nfs/dbraw/zinc/65/65/06/1303656506.db2.gz AKCDGDKFTCGWNG-BRWVUGGUSA-N 1 0 346.519 3.233 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cc1 ZINC000773733680 1303730922 /nfs/dbraw/zinc/73/09/22/1303730922.db2.gz KHRUKPKGLFMMTM-UHFFFAOYSA-N 1 0 331.504 3.127 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000773764740 1303737513 /nfs/dbraw/zinc/73/75/13/1303737513.db2.gz CUJKJSLGXCPXNI-MRXNPFEDSA-N 1 0 330.394 3.278 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000773814890 1303740688 /nfs/dbraw/zinc/74/06/88/1303740688.db2.gz IHZXOKKGANCRNM-SFHVURJKSA-N 1 0 332.488 3.160 20 10 EGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(N(C)CC)cc2)CC1 ZINC000773848910 1303746143 /nfs/dbraw/zinc/74/61/43/1303746143.db2.gz QEEGLNWJNJLMEI-INIZCTEOSA-N 1 0 347.503 3.489 20 10 EGCDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774479629 1303814901 /nfs/dbraw/zinc/81/49/01/1303814901.db2.gz RFVRHNQJJUFVBG-GJZGRUSLSA-N 1 0 341.455 3.439 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCc1cccs1 ZINC000774486739 1303816677 /nfs/dbraw/zinc/81/66/77/1303816677.db2.gz YJBMOJODTKJJKS-GJZGRUSLSA-N 1 0 345.512 3.212 20 10 EGCDRO [O-]c1c(Br)cccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775026046 1303890965 /nfs/dbraw/zinc/89/09/65/1303890965.db2.gz YUOZBLQGYNTTMI-UHFFFAOYSA-N 1 0 339.277 3.119 20 10 EGCDRO C[C@H]([NH2+]Cc1ccnc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000775258319 1303931807 /nfs/dbraw/zinc/93/18/07/1303931807.db2.gz XFOAUDWNZHADLK-AWEZNQCLSA-N 1 0 331.847 3.422 20 10 EGCDRO CC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc(Cl)ccc1O ZINC000775495805 1303974099 /nfs/dbraw/zinc/97/40/99/1303974099.db2.gz CFJGZJQBVAJQPG-OAHLLOKOSA-N 1 0 343.818 3.262 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Cl)ccc1O ZINC000775497635 1303974206 /nfs/dbraw/zinc/97/42/06/1303974206.db2.gz SZFKKELESMYEEO-MRXNPFEDSA-N 1 0 332.831 3.403 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Cl)ccc1O ZINC000775527010 1303979870 /nfs/dbraw/zinc/97/98/70/1303979870.db2.gz VFSOCSDBLSYSAX-QRTARXTBSA-N 1 0 325.836 3.424 20 10 EGCDRO COCC[N@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1O ZINC000775644601 1304002291 /nfs/dbraw/zinc/00/22/91/1304002291.db2.gz QFGBVVKRLJVFSF-UHFFFAOYSA-N 1 0 337.441 3.120 20 10 EGCDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccc(F)cc1F ZINC000775648032 1304004052 /nfs/dbraw/zinc/00/40/52/1304004052.db2.gz NCLSUWCNINQVQO-UHFFFAOYSA-N 1 0 345.437 3.349 20 10 EGCDRO Cc1ccnc(N2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)c1 ZINC000775659417 1304008347 /nfs/dbraw/zinc/00/83/47/1304008347.db2.gz WSOOWXDOSPKJKJ-UHFFFAOYSA-N 1 0 331.847 3.380 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC000776155094 1304103377 /nfs/dbraw/zinc/10/33/77/1304103377.db2.gz XTVQUZGTYIXXIJ-CQSZACIVSA-N 1 0 340.414 3.273 20 10 EGCDRO CC1CCC([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000777453899 1304299498 /nfs/dbraw/zinc/29/94/98/1304299498.db2.gz REZOWTVPSUFXGN-NXYGQSRBSA-N 1 0 329.488 3.057 20 10 EGCDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779003709 1304517352 /nfs/dbraw/zinc/51/73/52/1304517352.db2.gz YSKMNFGZXKEEDU-OAHLLOKOSA-N 1 0 336.451 3.440 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1O ZINC000779004222 1304517561 /nfs/dbraw/zinc/51/75/61/1304517561.db2.gz PBDMBMLVVIKLKY-ABAIWWIYSA-N 1 0 341.293 3.454 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cn1 ZINC000779022500 1304519338 /nfs/dbraw/zinc/51/93/38/1304519338.db2.gz CLHHVSNQTQDOMZ-SFHVURJKSA-N 1 0 329.419 3.298 20 10 EGCDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000779021848 1304519648 /nfs/dbraw/zinc/51/96/48/1304519648.db2.gz YHWUFEZNOYJEOH-IHRRRGAJSA-N 1 0 346.450 3.322 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000779063232 1304525238 /nfs/dbraw/zinc/52/52/38/1304525238.db2.gz CWJKRJDDIAFHGN-XDTLVQLUSA-N 1 0 328.250 3.273 20 10 EGCDRO C[C@H](CCCCO)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000779074508 1304527016 /nfs/dbraw/zinc/52/70/16/1304527016.db2.gz QVQWQPOIIZAFID-CABCVRRESA-N 1 0 342.430 3.398 20 10 EGCDRO CC[C@@H](C)CN(CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665931 1304555075 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CCOCc1cc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)ccc1OC ZINC000788074774 1305861108 /nfs/dbraw/zinc/86/11/08/1305861108.db2.gz DITYRURUAGWKRF-GOSISDBHSA-N 1 0 345.487 3.495 20 10 EGCDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000788564146 1305971814 /nfs/dbraw/zinc/97/18/14/1305971814.db2.gz PXBFYJYPDYRAIJ-HOTGVXAUSA-N 1 0 341.455 3.339 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c(O)c1OC ZINC000893650677 1306007254 /nfs/dbraw/zinc/00/72/54/1306007254.db2.gz DWRRTRJLSLTGFV-KBXCAEBGSA-N 1 0 344.455 3.190 20 10 EGCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000893960144 1306148350 /nfs/dbraw/zinc/14/83/50/1306148350.db2.gz QEPFGGSALIAMMS-QGZVFWFLSA-N 1 0 345.439 3.099 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)Cc2c(C)nc3sccn32)c1O ZINC000893994991 1306167749 /nfs/dbraw/zinc/16/77/49/1306167749.db2.gz HIZPIGAXKXUSKO-UHFFFAOYSA-N 1 0 331.441 3.359 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](COC)Cc2ccccc2)c1 ZINC000789584551 1306188616 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NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CCC3CCCCC3)cc2)C1 ZINC000792174188 1309136599 /nfs/dbraw/zinc/13/65/99/1309136599.db2.gz TVXZNGCGQZZEMW-LJQANCHMSA-N 1 0 343.515 3.448 20 10 EGCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000895037773 1309166184 /nfs/dbraw/zinc/16/61/84/1309166184.db2.gz MIXDWNONURUOAC-NSHDSACASA-N 1 0 346.240 3.278 20 10 EGCDRO CN(C)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000792914733 1309258153 /nfs/dbraw/zinc/25/81/53/1309258153.db2.gz DXSFSKDFXGCAJB-SJORKVTESA-N 1 0 341.421 3.488 20 10 EGCDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1 ZINC000793043816 1309285557 /nfs/dbraw/zinc/28/55/57/1309285557.db2.gz PETBJAFASHHRJG-UHFFFAOYSA-N 1 0 344.377 3.347 20 10 EGCDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793042041 1309286317 /nfs/dbraw/zinc/28/63/17/1309286317.db2.gz FGNFSOOTCLYGSM-NEPJUHHUSA-N 1 0 345.409 3.164 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(O)ccc2Br)c(O)c1 ZINC000793387284 1309362409 /nfs/dbraw/zinc/36/24/09/1309362409.db2.gz BUSLKHNHIXKZBS-UHFFFAOYSA-N 1 0 338.201 3.159 20 10 EGCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3c(C)cccc3O)C2)cc1F ZINC000895503867 1309377279 /nfs/dbraw/zinc/37/72/79/1309377279.db2.gz DTXIQSHXNTWZTQ-CQSZACIVSA-N 1 0 344.386 3.131 20 10 EGCDRO CSc1ccccc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000794653576 1309565628 /nfs/dbraw/zinc/56/56/28/1309565628.db2.gz BLHXODRWKHKFPZ-INIZCTEOSA-N 1 0 331.437 3.172 20 10 EGCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795708185 1309813271 /nfs/dbraw/zinc/81/32/71/1309813271.db2.gz SAKVSWBZRAADOT-YOEHRIQHSA-N 1 0 332.488 3.454 20 10 EGCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795708184 1309813562 /nfs/dbraw/zinc/81/35/62/1309813562.db2.gz SAKVSWBZRAADOT-WMLDXEAASA-N 1 0 332.488 3.454 20 10 EGCDRO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000795936530 1309866301 /nfs/dbraw/zinc/86/63/01/1309866301.db2.gz UUQCQLKKEBMBLX-UHFFFAOYSA-N 1 0 335.787 3.131 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)c1O ZINC000896562264 1309916348 /nfs/dbraw/zinc/91/63/48/1309916348.db2.gz AGEPSKSZEZWNKB-QGZVFWFLSA-N 1 0 339.794 3.191 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c1 ZINC000897423420 1310332142 /nfs/dbraw/zinc/33/21/42/1310332142.db2.gz KGXZEEGTSCQYDV-GFCCVEGCSA-N 1 0 336.432 3.109 20 10 EGCDRO CN(C)c1ccc([C@@H](CNc2nc(C3CC3)ns2)[NH+](C)C)cc1 ZINC000897524846 1310363206 /nfs/dbraw/zinc/36/32/06/1310363206.db2.gz FPOCQRZPSYMZAY-OAHLLOKOSA-N 1 0 331.489 3.196 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(N3CCCOC3=O)CC2)cc1Cl ZINC000897589604 1310396783 /nfs/dbraw/zinc/39/67/83/1310396783.db2.gz PTZVDNXONFDXQQ-UHFFFAOYSA-N 1 0 338.835 3.161 20 10 EGCDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000899182377 1310969961 /nfs/dbraw/zinc/96/99/61/1310969961.db2.gz YXIPIILWYAMLMR-KUHUBIRLSA-N 1 0 342.439 3.317 20 10 EGCDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000801719929 1310989304 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CCn1nncc1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000858202565 1328710194 /nfs/dbraw/zinc/71/01/94/1328710194.db2.gz CJCCJIRFLVMRHI-UHFFFAOYSA-N 1 0 347.466 3.151 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(C)CCCC3)C2)cc1C ZINC001020445831 1317702239 /nfs/dbraw/zinc/70/22/39/1317702239.db2.gz XKZIKIYPSUDUNQ-QAQDUYKDSA-N 1 0 330.472 3.321 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1 ZINC000903448072 1317702454 /nfs/dbraw/zinc/70/24/54/1317702454.db2.gz JCASWCOFWZMHCC-UXHICEINSA-N 1 0 326.488 3.491 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c1 ZINC000858237348 1328718585 /nfs/dbraw/zinc/71/85/85/1328718585.db2.gz KUENJFKFOYZGDV-UHFFFAOYSA-N 1 0 346.858 3.480 20 10 EGCDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808690038 1317716631 /nfs/dbraw/zinc/71/66/31/1317716631.db2.gz IZVACQPPOFQUBG-AAEUAGOBSA-N 1 0 326.824 3.235 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1O ZINC000808707889 1317719168 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CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000815118698 1318897182 /nfs/dbraw/zinc/89/71/82/1318897182.db2.gz ZMFNJSVIEBTAFS-GOEBONIOSA-N 1 0 330.394 3.135 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(F)CCCC3)C2)cc1C ZINC001022338193 1318898618 /nfs/dbraw/zinc/89/86/18/1318898618.db2.gz QZSVNYLMQSXZQK-IYBDPMFKSA-N 1 0 334.435 3.023 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)cc1 ZINC000815119711 1318899295 /nfs/dbraw/zinc/89/92/95/1318899295.db2.gz FNCKCOVECZCKHV-IBGZPJMESA-N 1 0 345.487 3.386 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000815143693 1318911629 /nfs/dbraw/zinc/91/16/29/1318911629.db2.gz CJMYBKNRBYQPLQ-SFHVURJKSA-N 1 0 336.863 3.166 20 10 EGCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCCCC[NH+]2CCCC2)c1[O-] ZINC000815150944 1318912640 /nfs/dbraw/zinc/91/26/40/1318912640.db2.gz HSKDOEPJUFNVTO-UHFFFAOYSA-N 1 0 341.839 3.310 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815562881 1319016732 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CCCN1C[C@@H](C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)CC1=O ZINC000817411806 1319352163 /nfs/dbraw/zinc/35/21/63/1319352163.db2.gz ZYUKSJWCANSDPD-MRXNPFEDSA-N 1 0 335.467 3.020 20 10 EGCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000817413857 1319352962 /nfs/dbraw/zinc/35/29/62/1319352962.db2.gz BMQPVAQTZDDNPO-CRAIPNDOSA-N 1 0 327.424 3.316 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000817415610 1319355783 /nfs/dbraw/zinc/35/57/83/1319355783.db2.gz ZZEMRDSYGRINBL-ZFWWWQNUSA-N 1 0 335.444 3.201 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817792450 1319445455 /nfs/dbraw/zinc/44/54/55/1319445455.db2.gz XYUJZRDVJXATTR-UHFFFAOYSA-N 1 0 333.476 3.187 20 10 EGCDRO CCC(CC)[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)N1CCOCC1 ZINC000915228072 1319449702 /nfs/dbraw/zinc/44/97/02/1319449702.db2.gz DIBPFNGEMPYSEB-IBGZPJMESA-N 1 0 334.504 3.230 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817888204 1319452283 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327.266 3.193 20 10 EGCDRO CC(C)[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817944032 1319472367 /nfs/dbraw/zinc/47/23/67/1319472367.db2.gz WUNNYDJLOKUTDK-IEBWSBKVSA-N 1 0 330.451 3.273 20 10 EGCDRO CC[C@@H](NC[C@H]1CCCC[NH2+]1)c1cc(Br)ccc1O ZINC000817950786 1319474566 /nfs/dbraw/zinc/47/45/66/1319474566.db2.gz YULRBVLULMLHLI-TZMCWYRMSA-N 1 0 327.266 3.338 20 10 EGCDRO CC[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Cl)ccc1O ZINC000817953655 1319475032 /nfs/dbraw/zinc/47/50/32/1319475032.db2.gz RONQCNGFJNVKSL-INIZCTEOSA-N 1 0 346.862 3.413 20 10 EGCDRO C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817965593 1319479780 /nfs/dbraw/zinc/47/97/80/1319479780.db2.gz ASKKIUCPYRWNEJ-MEBBXXQBSA-N 1 0 345.256 3.334 20 10 EGCDRO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)cc(F)c1[O-] ZINC000817980982 1319484235 /nfs/dbraw/zinc/48/42/35/1319484235.db2.gz ORQCOKSENFEOBP-ZYHUDNBSSA-N 1 0 345.256 3.477 20 10 EGCDRO C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817986851 1319486677 /nfs/dbraw/zinc/48/66/77/1319486677.db2.gz USPIPJZFBJAJGM-SNVBAGLBSA-N 1 0 343.240 3.254 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817987385 1319486934 /nfs/dbraw/zinc/48/69/34/1319486934.db2.gz TWPDWLAMAWNWIC-WUHRBBMRSA-N 1 0 328.378 3.450 20 10 EGCDRO COC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 ZINC000818343121 1319531627 /nfs/dbraw/zinc/53/16/27/1319531627.db2.gz YEIBOOGONIRRFL-OXQOHEQNSA-N 1 0 332.488 3.316 20 10 EGCDRO CCn1cc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000818345532 1319532551 /nfs/dbraw/zinc/53/25/51/1319532551.db2.gz VYOALSWWYNPPAX-HZPDHXFCSA-N 1 0 328.460 3.089 20 10 EGCDRO C[C@@H]1CC2(C[N@@H+]1Cc1cccc(Br)c1[O-])CC[NH2+]CC2 ZINC000818431148 1319541036 /nfs/dbraw/zinc/54/10/36/1319541036.db2.gz GSCNQKNOTXRUMU-GFCCVEGCSA-N 1 0 339.277 3.119 20 10 EGCDRO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000818633046 1319572975 /nfs/dbraw/zinc/57/29/75/1319572975.db2.gz CGNKQSVJQJDXIV-UHFFFAOYSA-N 1 0 336.439 3.152 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000818964082 1319594156 /nfs/dbraw/zinc/59/41/56/1319594156.db2.gz KHJWTFITBXHTLG-IBGZPJMESA-N 1 0 328.481 3.063 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)Nc2cccnc2)cc1F ZINC000819040722 1319621274 /nfs/dbraw/zinc/62/12/74/1319621274.db2.gz BVNCTMLPDRBLCD-UHFFFAOYSA-N 1 0 344.434 3.185 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C3=CCCC3)C2)cc1C ZINC000961705098 1319707453 /nfs/dbraw/zinc/70/74/53/1319707453.db2.gz BDNXXXAIFKROFJ-UHFFFAOYSA-N 1 0 328.456 3.098 20 10 EGCDRO CCC[C@@H]1C[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000962278748 1319897438 /nfs/dbraw/zinc/89/74/38/1319897438.db2.gz NCMWWZRULGEJRO-JWHDQAAXSA-N 1 0 344.499 3.424 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503364 1320089878 /nfs/dbraw/zinc/08/98/78/1320089878.db2.gz GXKYKTDLCNJYAQ-IBGZPJMESA-N 1 0 334.423 3.488 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000823608863 1320191593 /nfs/dbraw/zinc/19/15/93/1320191593.db2.gz LNVJNEGNBLLLQT-OAHLLOKOSA-N 1 0 346.496 3.049 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]CCOc1ccc(F)c(Cl)c1)OCO2 ZINC000824589446 1320267474 /nfs/dbraw/zinc/26/74/74/1320267474.db2.gz CWCCSYFXXWCCNB-UHFFFAOYSA-N 1 0 339.750 3.082 20 10 EGCDRO Oc1cc(Br)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000824632404 1320272744 /nfs/dbraw/zinc/27/27/44/1320272744.db2.gz HZXNTDZPRRMFJO-OAHLLOKOSA-N 1 0 339.277 3.215 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1Cl ZINC000824809451 1320286652 /nfs/dbraw/zinc/28/66/52/1320286652.db2.gz VFNZYLGOPQZSMH-CQSZACIVSA-N 1 0 336.863 3.188 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC(=O)N(C)Cc2ccccc2)cc1Cl ZINC000825127561 1320313037 /nfs/dbraw/zinc/31/30/37/1320313037.db2.gz YNHWEAHMQADHMF-UHFFFAOYSA-N 1 0 332.831 3.102 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1Cl ZINC000825173782 1320316252 /nfs/dbraw/zinc/31/62/52/1320316252.db2.gz RUQZQUXOYYCKAY-QGZVFWFLSA-N 1 0 344.842 3.245 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215134 1320318649 /nfs/dbraw/zinc/31/86/49/1320318649.db2.gz IHQXTDPDBMQLKM-LJQANCHMSA-N 1 0 332.513 3.242 20 10 EGCDRO OCC1([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2cccs2)CCC1 ZINC000825310732 1320326922 /nfs/dbraw/zinc/32/69/22/1320326922.db2.gz BXYFWSYJCCBKOA-QGZVFWFLSA-N 1 0 347.436 3.176 20 10 EGCDRO OCCC1(C[NH2+]Cc2ccc(Br)cc2O)CCCC1 ZINC000825320558 1320327631 /nfs/dbraw/zinc/32/76/31/1320327631.db2.gz LMEXFFVKLMVPHK-UHFFFAOYSA-N 1 0 328.250 3.187 20 10 EGCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Br)cc2O)CC1 ZINC000825697793 1320355596 /nfs/dbraw/zinc/35/55/96/1320355596.db2.gz JTSQIXDUPYETGJ-CQSZACIVSA-N 1 0 327.266 3.071 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000825973945 1320375786 /nfs/dbraw/zinc/37/57/86/1320375786.db2.gz VAJHMBFVSSQDBC-GOSISDBHSA-N 1 0 325.456 3.095 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)cc1Cl ZINC000826036317 1320380362 /nfs/dbraw/zinc/38/03/62/1320380362.db2.gz FTHZTUGDIWTSIU-CYBMUJFWSA-N 1 0 326.824 3.017 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3ccccc3NC2=O)cc1Cl ZINC000826534778 1320386406 /nfs/dbraw/zinc/38/64/06/1320386406.db2.gz JMLWRLSCSHXOCC-INIZCTEOSA-N 1 0 330.815 3.397 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000827377336 1320449241 /nfs/dbraw/zinc/44/92/41/1320449241.db2.gz VXYGJXLKSVYJPD-TZIWHRDSSA-N 1 0 344.499 3.304 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1F ZINC000827633698 1320463463 /nfs/dbraw/zinc/46/34/63/1320463463.db2.gz BXXBCLARMBCAEA-QGZVFWFLSA-N 1 0 347.478 3.116 20 10 EGCDRO C[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000836406718 1320484151 /nfs/dbraw/zinc/48/41/51/1320484151.db2.gz USXZBQKCHPFHSK-OAHLLOKOSA-N 1 0 344.503 3.130 20 10 EGCDRO Cc1cc(Br)cc(C[NH+]2CC3(C2)CCCOC3)c1O ZINC000839137712 1320878783 /nfs/dbraw/zinc/87/87/83/1320878783.db2.gz IEHGNLKXOYZUAJ-UHFFFAOYSA-N 1 0 326.234 3.076 20 10 EGCDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839496078 1320928676 /nfs/dbraw/zinc/92/86/76/1320928676.db2.gz LSGZFGTUTYRVSX-HHXXYDBFSA-N 1 0 329.488 3.022 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000840757667 1321142181 /nfs/dbraw/zinc/14/21/81/1321142181.db2.gz BQCBMVOLGVXLEQ-ZDUSSCGKSA-N 1 0 333.382 3.047 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840863342 1321164380 /nfs/dbraw/zinc/16/43/80/1321164380.db2.gz HXVQYYONUOVTOU-HIFRSBDPSA-N 1 0 344.411 3.172 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000840893538 1321171691 /nfs/dbraw/zinc/17/16/91/1321171691.db2.gz KVVYLFZLJXEMNQ-BEFAXECRSA-N 1 0 326.488 3.393 20 10 EGCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc2ccccc2c1O ZINC000840891197 1321171794 /nfs/dbraw/zinc/17/17/94/1321171794.db2.gz UXYWGMPYRWHEJM-CQSZACIVSA-N 1 0 347.480 3.411 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000840929605 1321179590 /nfs/dbraw/zinc/17/95/90/1321179590.db2.gz BYJWEDRADOOKND-UHFFFAOYSA-N 1 0 331.504 3.188 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000840936273 1321180709 /nfs/dbraw/zinc/18/07/09/1321180709.db2.gz HYUVJSMZQRAJAB-IBGZPJMESA-N 1 0 329.488 3.084 20 10 EGCDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(N(C)C)cc1C)c1ccncc1 ZINC000840939373 1321181663 /nfs/dbraw/zinc/18/16/63/1321181663.db2.gz WYUZBDOFHMCDDJ-FQEVSTJZSA-N 1 0 341.455 3.024 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c1O ZINC000840964854 1321189192 /nfs/dbraw/zinc/18/91/92/1321189192.db2.gz WDUXAYKBAZJDOF-MXWKQRLJSA-N 1 0 344.249 3.066 20 10 EGCDRO CC[C@@](C[NH2+]Cc1cc(F)ccc1O)(C(=O)OC)c1ccccc1 ZINC000840976729 1321192301 /nfs/dbraw/zinc/19/23/01/1321192301.db2.gz FCUWCGMWTCAGSA-IBGZPJMESA-N 1 0 331.387 3.142 20 10 EGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840977152 1321192338 /nfs/dbraw/zinc/19/23/38/1321192338.db2.gz SUBNHXXJMLBILE-AWEZNQCLSA-N 1 0 330.428 3.161 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C(C)(C)CN1CCOCC1 ZINC000840978557 1321193560 /nfs/dbraw/zinc/19/35/60/1321193560.db2.gz SMKSDAHOYPCWJH-UHFFFAOYSA-N 1 0 345.531 3.220 20 10 EGCDRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCc1ccc(N)cc1 ZINC000841033811 1321205529 /nfs/dbraw/zinc/20/55/29/1321205529.db2.gz BNZUZLNKBNBUJW-CYBMUJFWSA-N 1 0 331.847 3.472 20 10 EGCDRO COc1cc(C[NH2+]CCc2ccc(N)cc2)c(SC)cc1OC ZINC000841037162 1321206119 /nfs/dbraw/zinc/20/61/19/1321206119.db2.gz YTHWUPBXUWTAGA-UHFFFAOYSA-N 1 0 332.469 3.340 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000841042436 1321207906 /nfs/dbraw/zinc/20/79/06/1321207906.db2.gz JPPHBIRLOMZTFF-KRWDZBQOSA-N 1 0 335.398 3.144 20 10 EGCDRO Cc1ncc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1-c1ccccc1 ZINC000841043925 1321208388 /nfs/dbraw/zinc/20/83/88/1321208388.db2.gz RNMDRTDFYXRQLZ-OAQYLSRUSA-N 1 0 349.482 3.036 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ncc(C(C)(C)C)s2)cc1 ZINC000841044399 1321208451 /nfs/dbraw/zinc/20/84/51/1321208451.db2.gz WIJQZPPGEPKLAV-OAHLLOKOSA-N 1 0 332.517 3.296 20 10 EGCDRO CC(C)(C)[C@H](CN)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841088169 1321216926 /nfs/dbraw/zinc/21/69/26/1321216926.db2.gz ZFZDUTBYVUFRRR-IBGZPJMESA-N 1 0 328.456 3.434 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841745198 1321305225 /nfs/dbraw/zinc/30/52/25/1321305225.db2.gz NNNVMQFCNHMIGM-CYBMUJFWSA-N 1 0 332.831 3.435 20 10 EGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Cl)cc1O ZINC000841752333 1321306194 /nfs/dbraw/zinc/30/61/94/1321306194.db2.gz AAMSTNGZCWMAQE-LLVKDONJSA-N 1 0 331.865 3.054 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(Br)cc1O ZINC000841764779 1321308965 /nfs/dbraw/zinc/30/89/65/1321308965.db2.gz ILKAOWQKHIHWJP-GXSJLCMTSA-N 1 0 349.219 3.145 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](CC(C)C)OC)c1O ZINC000841888727 1321326644 /nfs/dbraw/zinc/32/66/44/1321326644.db2.gz OTFJDXSGEHGOHX-CYBMUJFWSA-N 1 0 346.265 3.314 20 10 EGCDRO Fc1cc(C[NH2+][C@H]2COCc3ccccc32)ccc1N1CCOCC1 ZINC000841891916 1321327617 /nfs/dbraw/zinc/32/76/17/1321327617.db2.gz WHHONNKFCDPKPH-IBGZPJMESA-N 1 0 342.414 3.023 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC([NH3+])(CC)CC)cc1 ZINC000841952765 1321331968 /nfs/dbraw/zinc/33/19/68/1321331968.db2.gz YTXDZRWVWQCHAT-UHFFFAOYSA-N 1 0 334.508 3.192 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000842013166 1321334858 /nfs/dbraw/zinc/33/48/58/1321334858.db2.gz FWEOEEFFQGZREO-KBAYOESNSA-N 1 0 345.487 3.092 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000842007210 1321335038 /nfs/dbraw/zinc/33/50/38/1321335038.db2.gz WUJPFRSNWPRAQG-GOSISDBHSA-N 1 0 346.519 3.206 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCS[C@H]2C)c1O ZINC000842778036 1321431123 /nfs/dbraw/zinc/43/11/23/1321431123.db2.gz DJZATBKUICSGHQ-GZMMTYOYSA-N 1 0 332.263 3.147 20 10 EGCDRO C[C@H](C[NH3+])N(C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843052001 1321461814 /nfs/dbraw/zinc/46/18/14/1321461814.db2.gz NYNULQFHYKWRDF-CYBMUJFWSA-N 1 0 340.309 3.218 20 10 EGCDRO COc1ccc(O)c(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1 ZINC000843114317 1321472335 /nfs/dbraw/zinc/47/23/35/1321472335.db2.gz IWHOODAHUVVVEP-KRWDZBQOSA-N 1 0 332.831 3.201 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000843128945 1321474473 /nfs/dbraw/zinc/47/44/73/1321474473.db2.gz ZWWVIEMKZDNASU-UHFFFAOYSA-N 1 0 339.277 3.039 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843387828 1321509946 /nfs/dbraw/zinc/50/99/46/1321509946.db2.gz JBZUFSYKWKPSOK-KGLIPLIRSA-N 1 0 336.863 3.070 20 10 EGCDRO CCC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(C)C1 ZINC000843423010 1321516664 /nfs/dbraw/zinc/51/66/64/1321516664.db2.gz UOCWUCQRYQVXFO-CQSZACIVSA-N 1 0 327.266 3.071 20 10 EGCDRO Cc1cc(C(=O)N2CCC(C)([NH3+])CC2)c(C)n1-c1ccc(F)cc1 ZINC000843467933 1321521338 /nfs/dbraw/zinc/52/13/38/1321521338.db2.gz MAVIOESAIVKIOB-UHFFFAOYSA-N 1 0 329.419 3.187 20 10 EGCDRO C[NH2+]CCCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843486584 1321522231 /nfs/dbraw/zinc/52/22/31/1321522231.db2.gz UVSCLHWBCPVXKF-MRXNPFEDSA-N 1 0 326.440 3.482 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC1CC[NH2+]CC1 ZINC000843485221 1321522241 /nfs/dbraw/zinc/52/22/41/1321522241.db2.gz JCUUSSXENQPNCO-UHFFFAOYSA-N 1 0 331.504 3.269 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000844167125 1321575413 /nfs/dbraw/zinc/57/54/13/1321575413.db2.gz QODIIOKBUXAZHP-FQEVSTJZSA-N 1 0 339.483 3.500 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)c(O)c1 ZINC000845966754 1321759452 /nfs/dbraw/zinc/75/94/52/1321759452.db2.gz JTFWJZQGPSPNSQ-UHFFFAOYSA-N 1 0 337.423 3.493 20 10 EGCDRO COCCOc1ccccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846141830 1321770544 /nfs/dbraw/zinc/77/05/44/1321770544.db2.gz ADGHAGQTTBYBGS-CQSZACIVSA-N 1 0 331.412 3.277 20 10 EGCDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846142885 1321770649 /nfs/dbraw/zinc/77/06/49/1321770649.db2.gz WVZSFXMHFOIRKO-CYBMUJFWSA-N 1 0 331.412 3.311 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C(=O)NCc1cccs1 ZINC000846172400 1321773601 /nfs/dbraw/zinc/77/36/01/1321773601.db2.gz LWNVLIGVPOPLNQ-SWLSCSKDSA-N 1 0 348.468 3.208 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000846170761 1321774123 /nfs/dbraw/zinc/77/41/23/1321774123.db2.gz ZOSYOWRIELJUBM-DHSIGJKJSA-N 1 0 328.412 3.367 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)n1-c1ccccn1 ZINC000846694501 1321801866 /nfs/dbraw/zinc/80/18/66/1321801866.db2.gz PVPFOKWEKJNUAR-KSSFIOAISA-N 1 0 340.471 3.079 20 10 EGCDRO COC(=O)CC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000918732396 1321986220 /nfs/dbraw/zinc/98/62/20/1321986220.db2.gz ITIGMBPHMMXCFX-UHFFFAOYSA-N 1 0 335.444 3.170 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000848881273 1322027374 /nfs/dbraw/zinc/02/73/74/1322027374.db2.gz WUYJNWKDNDAJPY-QGZVFWFLSA-N 1 0 336.439 3.377 20 10 EGCDRO CCc1cccc(C[N@H+](CC)CC(=O)NCc2ccc(F)cc2)c1O ZINC000848877501 1322027462 /nfs/dbraw/zinc/02/74/62/1322027462.db2.gz SLLWMPUNKFPTJG-UHFFFAOYSA-N 1 0 344.430 3.232 20 10 EGCDRO CCc1cccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000848901033 1322038703 /nfs/dbraw/zinc/03/87/03/1322038703.db2.gz UDHNCUAVTKZDIH-AWEZNQCLSA-N 1 0 346.377 3.128 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000848904541 1322040053 /nfs/dbraw/zinc/04/00/53/1322040053.db2.gz WXEWHCLGEXWUCB-HNNXBMFYSA-N 1 0 347.480 3.215 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000848903590 1322040069 /nfs/dbraw/zinc/04/00/69/1322040069.db2.gz AVDYMMYNTBGEEN-UHFFFAOYSA-N 1 0 347.846 3.441 20 10 EGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)o1 ZINC000850137220 1322197984 /nfs/dbraw/zinc/19/79/84/1322197984.db2.gz KUOLXWUQUPSJRR-UHFFFAOYSA-N 1 0 347.411 3.368 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850235082 1322212362 /nfs/dbraw/zinc/21/23/62/1322212362.db2.gz QXFSNRRRGDRMRG-QRWLVFNGSA-N 1 0 349.471 3.126 20 10 EGCDRO COc1cc(C[NH2+][C@@H](c2nncn2C)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850294224 1322224420 /nfs/dbraw/zinc/22/44/20/1322224420.db2.gz YJBCGIZBTYRLKK-MRXNPFEDSA-N 1 0 346.475 3.314 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1F ZINC000850354960 1322231926 /nfs/dbraw/zinc/23/19/26/1322231926.db2.gz DWIKXLHIZIWPDV-VBURHUQHSA-N 1 0 340.508 3.451 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccnc2N2CCCC2)c1 ZINC000850353066 1322232397 /nfs/dbraw/zinc/23/23/97/1322232397.db2.gz RMERSHAWIJDZHM-UHFFFAOYSA-N 1 0 327.428 3.076 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)cc1C ZINC000850414495 1322241514 /nfs/dbraw/zinc/24/15/14/1322241514.db2.gz YJATYJJTGRQXKA-UHFFFAOYSA-N 1 0 339.439 3.219 20 10 EGCDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000850429741 1322247682 /nfs/dbraw/zinc/24/76/82/1322247682.db2.gz IISOAPYBMWSWAV-LBPRGKRZSA-N 1 0 328.368 3.389 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[NH+](CC)CC)cc1 ZINC000921118446 1322259235 /nfs/dbraw/zinc/25/92/35/1322259235.db2.gz SRYAGLUIELOUKC-MRXNPFEDSA-N 1 0 334.508 3.062 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000921120357 1322259726 /nfs/dbraw/zinc/25/97/26/1322259726.db2.gz IIUCTDQKUODXNF-MRXNPFEDSA-N 1 0 334.508 3.014 20 10 EGCDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000850551504 1322264791 /nfs/dbraw/zinc/26/47/91/1322264791.db2.gz VWMLULMKHYXSFK-AWEZNQCLSA-N 1 0 337.439 3.165 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850556776 1322266408 /nfs/dbraw/zinc/26/64/08/1322266408.db2.gz LUXLGEBRPLBXMN-YJBOKZPZSA-N 1 0 331.504 3.440 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000850558385 1322266839 /nfs/dbraw/zinc/26/68/39/1322266839.db2.gz RIEJDALDTCBRAZ-MBNYWOFBSA-N 1 0 334.435 3.316 20 10 EGCDRO C[C@H]([NH2+]CC1SCCS1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850559838 1322267160 /nfs/dbraw/zinc/26/71/60/1322267160.db2.gz ARYJDNMBUFMRJB-LBPRGKRZSA-N 1 0 342.505 3.119 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc2c(cc1O)CCCC2 ZINC000850562696 1322268799 /nfs/dbraw/zinc/26/87/99/1322268799.db2.gz PCVFLJVMQSDKFF-YCRPNKLZSA-N 1 0 347.499 3.489 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000850578026 1322271924 /nfs/dbraw/zinc/27/19/24/1322271924.db2.gz FTFPMSJMHBNSKA-STQMWFEESA-N 1 0 338.448 3.307 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000850578024 1322272219 /nfs/dbraw/zinc/27/22/19/1322272219.db2.gz FTFPMSJMHBNSKA-QWHCGFSZSA-N 1 0 338.448 3.307 20 10 EGCDRO NC(=O)OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922187109 1322475371 /nfs/dbraw/zinc/47/53/71/1322475371.db2.gz SUSYHQOVDOYWAZ-GOSISDBHSA-N 1 0 340.423 3.222 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn(C4CCC4)c3)C2)cc1 ZINC000922196727 1322476617 /nfs/dbraw/zinc/47/66/17/1322476617.db2.gz NZTRBZHVUAILHB-INIZCTEOSA-N 1 0 340.471 3.233 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(Cl)c(C)nn3C)C2)cc1 ZINC000922196312 1322476690 /nfs/dbraw/zinc/47/66/90/1322476690.db2.gz KXGLWRUCBLOHMO-AWEZNQCLSA-N 1 0 348.878 3.007 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc4c3OCC4)C2)cc1 ZINC000922197622 1322477184 /nfs/dbraw/zinc/47/71/84/1322477184.db2.gz WDJXNZJGOOREKP-INIZCTEOSA-N 1 0 338.451 3.246 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CC3(C)C)C2)cc1C ZINC001023941463 1323044697 /nfs/dbraw/zinc/04/46/97/1323044697.db2.gz NGTGRVOPHVXHRI-MSOLQXFVSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000924707617 1323125869 /nfs/dbraw/zinc/12/58/69/1323125869.db2.gz NKYBQOXENVYGMD-HNNXBMFYSA-N 1 0 343.496 3.494 20 10 EGCDRO COCC1([NH2+]Cc2ccc(N3CCCCC3)c(C)c2)CCOCC1 ZINC000852091448 1323144186 /nfs/dbraw/zinc/14/41/86/1323144186.db2.gz XWDWLZIWKHSCSX-UHFFFAOYSA-N 1 0 332.488 3.271 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)c3ccco3)CC2)cc1C ZINC001026443461 1324805110 /nfs/dbraw/zinc/80/51/10/1324805110.db2.gz YZQHSFWKPOEBBO-UHFFFAOYSA-N 1 0 342.439 3.427 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)/C=C(\C)C3CC3)C2)cc1C ZINC001026710896 1324987401 /nfs/dbraw/zinc/98/74/01/1324987401.db2.gz DMEGTVSRZQYWGJ-HAZIXKIPSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1OC ZINC000853573367 1325125342 /nfs/dbraw/zinc/12/53/42/1325125342.db2.gz XQCNTPOAYPPYRA-QGZVFWFLSA-N 1 0 335.444 3.191 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000853594474 1325132087 /nfs/dbraw/zinc/13/20/87/1325132087.db2.gz RAALKHMLMMWBEH-MRXNPFEDSA-N 1 0 344.499 3.442 20 10 EGCDRO CCC1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001027043374 1325179740 /nfs/dbraw/zinc/17/97/40/1325179740.db2.gz BQRBKGYBBIQTIH-KRWDZBQOSA-N 1 0 330.472 3.132 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000856813028 1325531193 /nfs/dbraw/zinc/53/11/93/1325531193.db2.gz HTFUWLUMPUOYNU-ZDUSSCGKSA-N 1 0 338.448 3.184 20 10 EGCDRO c1cc(CC2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cs1 ZINC000857067873 1325566046 /nfs/dbraw/zinc/56/60/46/1325566046.db2.gz HEYSNGXMFQCFHW-UHFFFAOYSA-N 1 0 328.481 3.259 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c(O)c1C ZINC000926907273 1327769524 /nfs/dbraw/zinc/76/95/24/1327769524.db2.gz HLIBEFHRRIUESX-OAHLLOKOSA-N 1 0 347.480 3.306 20 10 EGCDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@@H]1CCCC[C@H]1O ZINC000862300123 1329474292 /nfs/dbraw/zinc/47/42/92/1329474292.db2.gz KQHULCWIGMNZHQ-SMDDNHRTSA-N 1 0 328.250 3.138 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000862359825 1329477522 /nfs/dbraw/zinc/47/75/22/1329477522.db2.gz RDRAQPMXBAMSPI-HIFRSBDPSA-N 1 0 326.234 3.298 20 10 EGCDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1C ZINC000862249188 1329470812 /nfs/dbraw/zinc/47/08/12/1329470812.db2.gz YJYMRNNIXGNUGC-DZGCQCFKSA-N 1 0 325.447 3.335 20 10 EGCDRO CN(C)c1cc(F)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000862248141 1329470967 /nfs/dbraw/zinc/47/09/67/1329470967.db2.gz IMFNLRUXJGVRRZ-HNNXBMFYSA-N 1 0 337.458 3.339 20 10 EGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862249579 1329471430 /nfs/dbraw/zinc/47/14/30/1329471430.db2.gz VIUGJCPOXAOMFH-CQSZACIVSA-N 1 0 325.447 3.195 20 10 EGCDRO COCC1(C)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862303784 1329475134 /nfs/dbraw/zinc/47/51/34/1329475134.db2.gz ZJYFWADNAMRXTM-UHFFFAOYSA-N 1 0 328.250 3.403 20 10 EGCDRO C[C@@H](CO)[N@@H+](Cc1c(O)cccc1Br)CC1CCC1 ZINC000862358719 1329477773 /nfs/dbraw/zinc/47/77/73/1329477773.db2.gz SAVNODVWRWVQPK-NSHDSACASA-N 1 0 328.250 3.138 20 10 EGCDRO Cc1n[nH]cc1C1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862360445 1329477951 /nfs/dbraw/zinc/47/79/51/1329477951.db2.gz LJMBWESFOINEDI-UHFFFAOYSA-N 1 0 334.414 3.442 20 10 EGCDRO COC(=O)c1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000862366278 1329478260 /nfs/dbraw/zinc/47/82/60/1329478260.db2.gz HGEIAXNSWVGQJM-UHFFFAOYSA-N 1 0 334.366 3.107 20 10 EGCDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000862476445 1329489641 /nfs/dbraw/zinc/48/96/41/1329489641.db2.gz UKUVLYRVEZGYHS-AWEZNQCLSA-N 1 0 328.412 3.216 20 10 EGCDRO CCN(CC[NH3+])Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000863643913 1329570331 /nfs/dbraw/zinc/57/03/31/1329570331.db2.gz BQWCFJNTRQKBMA-UHFFFAOYSA-N 1 0 340.309 3.220 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000865710397 1329731490 /nfs/dbraw/zinc/73/14/90/1329731490.db2.gz BMAIPJWSJXILRN-YMTOWFKASA-N 1 0 335.366 3.100 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206025816 1370942287 /nfs/dbraw/zinc/94/22/87/1370942287.db2.gz PJOMKXCHGXGBET-STQMWFEESA-N 1 0 341.293 3.270 20 10 EGCDRO CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001017267895 1338994297 /nfs/dbraw/zinc/99/42/97/1338994297.db2.gz UVXFXQOKJTVXCT-CQSZACIVSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)C3CC3)CC2)cc1C ZINC001029034460 1340913175 /nfs/dbraw/zinc/91/31/75/1340913175.db2.gz YHOOVHCSAPNVLU-HNNXBMFYSA-N 1 0 330.472 3.130 20 10 EGCDRO CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699137 1341965584 /nfs/dbraw/zinc/96/55/84/1341965584.db2.gz LHDFHLNWBUVWRX-XJKSGUPXSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC=CC3)CC2)cc1C ZINC001034612812 1342648112 /nfs/dbraw/zinc/64/81/12/1342648112.db2.gz ZVCQPMJDHCVKRG-WGSAOQKQSA-N 1 0 342.483 3.487 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)/C=C\C2CC2)cc1C ZINC001034894811 1342825204 /nfs/dbraw/zinc/82/52/04/1342825204.db2.gz QCDNRBDROLQBBX-IQBZNYMQSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(C)CCC2)cc1C ZINC001045155336 1346508178 /nfs/dbraw/zinc/50/81/78/1346508178.db2.gz QMEBIZIDQLUFEQ-KRWDZBQOSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CC(C)C)C2)cc1C ZINC001047684239 1347329107 /nfs/dbraw/zinc/32/91/07/1347329107.db2.gz SQLQPOYYVDQKSM-WMZOPIPTSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3=CCCC3)C[C@@H]2C)cc1C ZINC001048204644 1347493604 /nfs/dbraw/zinc/49/36/04/1347493604.db2.gz RMDOVHXFTIZGMM-LPHOPBHVSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cccs3)C[C@@H]2C)cc1C ZINC001054350421 1349329955 /nfs/dbraw/zinc/32/99/55/1349329955.db2.gz KERFLEGVBGJMKV-GOEBONIOSA-N 1 0 344.480 3.315 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3(C)CCC3)C[C@H]2C)cc1C ZINC001054980089 1349536100 /nfs/dbraw/zinc/53/61/00/1349536100.db2.gz ZQUSOZGUEHXDOV-WBVHZDCISA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(C)CCC3)C[C@@H]2C)cc1C ZINC001054980086 1349536375 /nfs/dbraw/zinc/53/63/75/1349536375.db2.gz ZQUSOZGUEHXDOV-DOTOQJQBSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CCC3)CC[C@@H]2C)cc1C ZINC001072154399 1355155320 /nfs/dbraw/zinc/15/53/20/1355155320.db2.gz QDQMCKIFXWPGTJ-HNAYVOBHSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc[nH]c2)cc1C ZINC001085207734 1358433545 /nfs/dbraw/zinc/43/35/45/1358433545.db2.gz JIIWYQMBBSIIDQ-QZTJIDSGSA-N 1 0 341.455 3.163 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3CC=CC3)C2)cc1C ZINC001086663224 1359179285 /nfs/dbraw/zinc/17/92/85/1359179285.db2.gz DCNFERYDAHKASR-PKOBYXMFSA-N 1 0 342.483 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C(C)C)cc1C ZINC001087122992 1359297317 /nfs/dbraw/zinc/29/73/17/1359297317.db2.gz USDUGYZFGXHRSR-QAPCUYQASA-N 1 0 332.488 3.376 20 10 EGCDRO CCC1(C(=O)NCC2CC([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001100649844 1364204584 /nfs/dbraw/zinc/20/45/84/1364204584.db2.gz PHTRMWQKWSLAAR-UHFFFAOYSA-N 1 0 330.472 3.178 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC001324848829 1387791615 /nfs/dbraw/zinc/79/16/15/1387791615.db2.gz TXNNCAGOGHZAPY-AESZEHBQSA-N 1 0 341.455 3.492 20 10 EGCDRO CN(C)c1ncccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC001325600004 1388009873 /nfs/dbraw/zinc/00/98/73/1388009873.db2.gz KPTHKCMEZNKUOI-GOSISDBHSA-N 1 0 341.455 3.034 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC001203438574 1370126873 /nfs/dbraw/zinc/12/68/73/1370126873.db2.gz KWHDPXWSLPOMDS-UHFFFAOYSA-N 1 0 326.440 3.416 20 10 EGCDRO O=C(c1ccco1)N1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203552090 1370166971 /nfs/dbraw/zinc/16/69/71/1370166971.db2.gz ZRJGRKLFIVSWGO-UHFFFAOYSA-N 1 0 340.423 3.114 20 10 EGCDRO COc1ccc(Cl)cc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203555736 1370168163 /nfs/dbraw/zinc/16/81/63/1370168163.db2.gz GJBJWIGEIRTQBD-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO Oc1ccccc1C[NH+]1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001203556432 1370168276 /nfs/dbraw/zinc/16/82/76/1370168276.db2.gz PWLRYSODIINVKA-UHFFFAOYSA-N 1 0 336.395 3.217 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3OC)C2)c1O ZINC001203609447 1370186985 /nfs/dbraw/zinc/18/69/85/1370186985.db2.gz TZYPRJBJZCSZMA-INIZCTEOSA-N 1 0 343.423 3.453 20 10 EGCDRO COc1ccc(C[NH+]2CCN(c3ccc(C)cc3C)CC2)c(O)c1 ZINC001203629220 1370193020 /nfs/dbraw/zinc/19/30/20/1370193020.db2.gz SYLFXETYSIZLOL-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001203631077 1370193747 /nfs/dbraw/zinc/19/37/47/1370193747.db2.gz ZCTFRDKQDJUEHR-KRWDZBQOSA-N 1 0 349.471 3.056 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001203634519 1370195492 /nfs/dbraw/zinc/19/54/92/1370195492.db2.gz JYTSHEHOJQMQJT-YLJYHZDGSA-N 1 0 338.451 3.107 20 10 EGCDRO Oc1ccc(Br)cc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001203645347 1370199645 /nfs/dbraw/zinc/19/96/45/1370199645.db2.gz CGPYJESWIYWYNI-CYBMUJFWSA-N 1 0 344.224 3.248 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203655716 1370203356 /nfs/dbraw/zinc/20/33/56/1370203356.db2.gz BHUUKMPKRKVVAP-CALCHBBNSA-N 1 0 343.858 3.004 20 10 EGCDRO O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]2C1 ZINC001203659044 1370205035 /nfs/dbraw/zinc/20/50/35/1370205035.db2.gz QLXCVTCMUIOEFQ-ZSOGYDGISA-N 1 0 348.874 3.172 20 10 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334.366 3.417 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)NC(=O)Nc2ccccc23)c1 ZINC001140622567 1378100338 /nfs/dbraw/zinc/10/03/38/1378100338.db2.gz ACENGGJCLXHLRW-UHFFFAOYSA-N 1 0 337.423 3.327 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c1 ZINC001140622076 1378100416 /nfs/dbraw/zinc/10/04/16/1378100416.db2.gz WYWVDDUMTUEIND-RTBURBONSA-N 1 0 336.435 3.471 20 10 EGCDRO CC(C)OC1CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140661817 1378109401 /nfs/dbraw/zinc/10/94/01/1378109401.db2.gz UFZMWYOJGMFFAB-UHFFFAOYSA-N 1 0 336.451 3.052 20 10 EGCDRO Cc1c(O)ccc(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)c1O ZINC001140747660 1378129019 /nfs/dbraw/zinc/12/90/19/1378129019.db2.gz HVYONKLUXHNIAC-UHFFFAOYSA-N 1 0 338.448 3.143 20 10 EGCDRO Cc1c(O)ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c1O ZINC001140748533 1378129142 /nfs/dbraw/zinc/12/91/42/1378129142.db2.gz MWVHPLSVYVRCLF-ZHALLVOQSA-N 1 0 349.471 3.201 20 10 EGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(OC)cc(O)cc1OC ZINC001140773704 1378133731 /nfs/dbraw/zinc/13/37/31/1378133731.db2.gz HBYCUWKMYBTFAD-UHFFFAOYSA-N 1 0 344.455 3.498 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c(O)c1 ZINC001140852397 1378158385 /nfs/dbraw/zinc/15/83/85/1378158385.db2.gz MNVLDPVDZLNRDH-BPAFIMBUSA-N 1 0 332.488 3.485 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c(Cl)c1 ZINC001140925482 1378182449 /nfs/dbraw/zinc/18/24/49/1378182449.db2.gz BRCAMEIPNQFVNW-MRXNPFEDSA-N 1 0 346.862 3.239 20 10 EGCDRO Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3Cl)C2)n1 ZINC001140926569 1378183067 /nfs/dbraw/zinc/18/30/67/1378183067.db2.gz OGOUFEYLTGEBGO-MRXNPFEDSA-N 1 0 346.862 3.158 20 10 EGCDRO Cc1c[nH+]ccc1N1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925851 1378183124 /nfs/dbraw/zinc/18/31/24/1378183124.db2.gz FGIWUURRGNFSGW-UHFFFAOYSA-N 1 0 344.890 3.432 20 10 EGCDRO COc1cc(O)c(CN2CC[NH+](C3CCC(C)CC3)CC2)c(OC)c1 ZINC001141027335 1378213027 /nfs/dbraw/zinc/21/30/27/1378213027.db2.gz WTIWHIDAZNJRAV-UHFFFAOYSA-N 1 0 348.487 3.106 20 10 EGCDRO COC(=O)CC1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141075486 1378232710 /nfs/dbraw/zinc/23/27/10/1378232710.db2.gz RGMWQFNRJFGBOE-UHFFFAOYSA-N 1 0 342.483 3.161 20 10 EGCDRO CCOC(=O)C1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141075029 1378232883 /nfs/dbraw/zinc/23/28/83/1378232883.db2.gz IPBFCKYTIXHXSS-UHFFFAOYSA-N 1 0 342.483 3.161 20 10 EGCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078070 1378234101 /nfs/dbraw/zinc/23/41/01/1378234101.db2.gz JNXXBBWWSOHQKE-HXUWFJFHSA-N 1 0 327.516 3.300 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CCOC[C@@H]3C3CCCCC3)ccc21 ZINC001141146096 1378248249 /nfs/dbraw/zinc/24/82/49/1378248249.db2.gz KJMJZDIYHGEDNW-LJQANCHMSA-N 1 0 330.472 3.296 20 10 EGCDRO CCOC(=O)C1(CC)CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141144173 1378248561 /nfs/dbraw/zinc/24/85/61/1378248561.db2.gz CNAXUNXWTLJLSN-UHFFFAOYSA-N 1 0 346.471 3.071 20 10 EGCDRO CCOC(=O)CCC1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141142840 1378249002 /nfs/dbraw/zinc/24/90/02/1378249002.db2.gz CKGHYSQTGGDBMG-UHFFFAOYSA-N 1 0 346.471 3.071 20 10 EGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)cc1OC ZINC001141158767 1378252794 /nfs/dbraw/zinc/25/27/94/1378252794.db2.gz MTLRNWWTAWCRIW-INIZCTEOSA-N 1 0 329.396 3.452 20 10 EGCDRO [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1CO ZINC001141366342 1378312012 /nfs/dbraw/zinc/31/20/12/1378312012.db2.gz NXHVBMABMYDRCJ-LLVKDONJSA-N 1 0 334.641 3.155 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC001142520197 1378452191 /nfs/dbraw/zinc/45/21/91/1378452191.db2.gz DBLFUWBGVCNSAR-UHFFFAOYSA-N 1 0 332.394 3.031 20 10 EGCDRO CCO[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@@H]2CCCO[C@H]12 ZINC001143105260 1378541369 /nfs/dbraw/zinc/54/13/69/1378541369.db2.gz OYHRIMGWQONETA-LMMKCTJWSA-N 1 0 333.472 3.458 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC3(CCc4ccccc4O3)CC2)c(O)c1 ZINC001144515327 1378739908 /nfs/dbraw/zinc/73/99/08/1378739908.db2.gz KGKGCDHAHIHDNL-UHFFFAOYSA-N 1 0 341.407 3.163 20 10 EGCDRO OCCCCCC[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144516170 1378739976 /nfs/dbraw/zinc/73/99/76/1378739976.db2.gz RPSKEUCVBCZMAT-UHFFFAOYSA-N 1 0 345.439 3.358 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCCC[C@H]2C)cc1C ZINC001153252019 1380044879 /nfs/dbraw/zinc/04/48/79/1380044879.db2.gz DTQQMVVHSRUNNY-QAPCUYQASA-N 1 0 332.488 3.426 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3nccc(C(C)(C)C)n3)cc2)CC1 ZINC001156656728 1380605217 /nfs/dbraw/zinc/60/52/17/1380605217.db2.gz ZRXIMGNTRRYCFA-UHFFFAOYSA-N 1 0 339.487 3.138 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-c4ccco4)nn3)cc2)CC1 ZINC001156658444 1380605927 /nfs/dbraw/zinc/60/59/27/1380605927.db2.gz CXUQJDWALCKISO-UHFFFAOYSA-N 1 0 349.438 3.101 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[C@@H]2C)cc1C ZINC001158619103 1381325120 /nfs/dbraw/zinc/32/51/20/1381325120.db2.gz SPJKSTGZJPFWOI-YJBOKZPZSA-N 1 0 332.488 3.426 20 10 EGCDRO Oc1cc2ccccc2cc1CNc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001160206057 1382033809 /nfs/dbraw/zinc/03/38/09/1382033809.db2.gz JTCRQTXADBKSKE-UHFFFAOYSA-N 1 0 340.814 3.247 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1C ZINC001162862481 1382898692 /nfs/dbraw/zinc/89/86/92/1382898692.db2.gz JKZBCFQTFDBHCD-ROUUACIJSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC2(C)C)cc1C ZINC001164170018 1383162252 /nfs/dbraw/zinc/16/22/52/1383162252.db2.gz CJMBROMDSWXTJT-KRWDZBQOSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C)ccc2F)cc1C ZINC001167323910 1383598383 /nfs/dbraw/zinc/59/83/83/1383598383.db2.gz OWQGZJHOVGUJCW-UHFFFAOYSA-N 1 0 344.430 3.361 20 10 EGCDRO Cc1ccc2ncc(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc2c1 ZINC001167422985 1383630257 /nfs/dbraw/zinc/63/02/57/1383630257.db2.gz JJKROORIVGEKFY-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO CCc1cc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cnc2[nH]1 ZINC001167434745 1383632920 /nfs/dbraw/zinc/63/29/20/1383632920.db2.gz VOYFLEQYVYULEF-UHFFFAOYSA-N 1 0 349.482 3.489 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cc4[nH]cnc4c(F)c3)cc2)CC1 ZINC001167436845 1383633765 /nfs/dbraw/zinc/63/37/65/1383633765.db2.gz CEXGMPCFEGRERJ-UHFFFAOYSA-N 1 0 339.418 3.066 20 10 EGCDRO O=C(OC1CCC([NH2+]Cc2cccc(O)c2O)CC1)c1ccccc1 ZINC001169281901 1384131635 /nfs/dbraw/zinc/13/16/35/1384131635.db2.gz PAZQSYMASRXQFO-UHFFFAOYSA-N 1 0 341.407 3.356 20 10 EGCDRO C[NH+](C)Cc1cccc(NCc2cc(Br)ccc2O)n1 ZINC001171175344 1384461168 /nfs/dbraw/zinc/46/11/68/1384461168.db2.gz LRAJXGRGQVZHDE-UHFFFAOYSA-N 1 0 336.233 3.223 20 10 EGCDRO C[C@]1([NH2+]Cc2c(O)cccc2Br)CCO[C@H]1C1CC1 ZINC001329007751 1388927230 /nfs/dbraw/zinc/92/72/30/1388927230.db2.gz DDKDDFXTSSVBDN-GJZGRUSLSA-N 1 0 326.234 3.202 20 10 EGCDRO Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001171549348 1384559209 /nfs/dbraw/zinc/55/92/09/1384559209.db2.gz KMATVBLACBRHFS-HXUWFJFHSA-N 1 0 336.479 3.479 20 10 EGCDRO CCN1CC[C@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1=O ZINC001172045195 1384712782 /nfs/dbraw/zinc/71/27/82/1384712782.db2.gz ZWGSDSCASSUWFL-IFXJQAMLSA-N 1 0 330.472 3.233 20 10 EGCDRO COc1ccc(N2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001172130016 1384737770 /nfs/dbraw/zinc/73/77/70/1384737770.db2.gz NAGLWHRRHICALI-BWTSREIZSA-N 1 0 343.515 3.141 20 10 EGCDRO COc1ccc(N2CC[NH+]([C@H](C)CCOC(C)C)CC2)c(OC)c1 ZINC001172453850 1384796236 /nfs/dbraw/zinc/79/62/36/1384796236.db2.gz GYSSRKAAOBICEW-MRXNPFEDSA-N 1 0 336.476 3.029 20 10 EGCDRO CC(C)COCC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001172466658 1384798594 /nfs/dbraw/zinc/79/85/94/1384798594.db2.gz BHCVACQIDYQLKS-SFHVURJKSA-N 1 0 334.504 3.406 20 10 EGCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(O)c1O)CC2 ZINC001172901502 1384874378 /nfs/dbraw/zinc/87/43/78/1384874378.db2.gz ITYIBJBUZWEJSW-OAHLLOKOSA-N 1 0 328.368 3.043 20 10 EGCDRO [NH3+]Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC001175972014 1385449153 /nfs/dbraw/zinc/44/91/53/1385449153.db2.gz SLCXKUHUSINOCU-UHFFFAOYSA-N 1 0 344.370 3.370 20 10 EGCDRO O[C@H]([C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001319951104 1386412333 /nfs/dbraw/zinc/41/23/33/1386412333.db2.gz YFXKOISZZQTFEM-JKSUJKDBSA-N 1 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COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C\C(C)(C)C)C2)cc1C ZINC001181739044 1387048213 /nfs/dbraw/zinc/04/82/13/1387048213.db2.gz ABWGCYICVUZAKV-SECOEOQKSA-N 1 0 330.472 3.296 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181981232 1387086443 /nfs/dbraw/zinc/08/64/43/1387086443.db2.gz WGFYEQKCHIFCNI-BEFAXECRSA-N 1 0 344.499 3.479 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182015834 1387094463 /nfs/dbraw/zinc/09/44/63/1387094463.db2.gz QSPSGKGOTLTUHF-VQIMIIECSA-N 1 0 342.483 3.090 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N)cc3)C[C@H]2C1 ZINC001336284645 1389059036 /nfs/dbraw/zinc/05/90/36/1389059036.db2.gz BFVURQSZCKBDTG-XYJFISCASA-N 1 0 345.487 3.394 20 10 EGCDRO C[C@H]1C[C@@H](CC[NH2+]Cc2c(O)cccc2Br)CCO1 ZINC001329723757 1389210235 /nfs/dbraw/zinc/21/02/35/1389210235.db2.gz XSHOWCYZIRUWEY-RYUDHWBXSA-N 1 0 328.250 3.450 20 10 EGCDRO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001337026154 1389239357 /nfs/dbraw/zinc/23/93/57/1389239357.db2.gz NUIWRIQDMZROPN-SFHVURJKSA-N 1 0 341.499 3.168 20 10 EGCDRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001338005207 1389513592 /nfs/dbraw/zinc/51/35/92/1389513592.db2.gz ORMVAKXKTVVDMD-YKSBVNFPSA-N 1 0 342.508 3.496 20 10 EGCDRO OCC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC001333907148 1390435397 /nfs/dbraw/zinc/43/53/97/1390435397.db2.gz GFCNSKARIARWEK-LBPRGKRZSA-N 1 0 328.250 3.139 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)Cc1cccc(F)c1 ZINC001344068672 1390753588 /nfs/dbraw/zinc/75/35/88/1390753588.db2.gz FYBNTLMVJGIFEU-HXUWFJFHSA-N 1 0 328.431 3.119 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C)C2CC2)C(C)C)cc1C ZINC001753827953 1440498879 /nfs/dbraw/zinc/49/88/79/1440498879.db2.gz ZPNIVUJOCWIONK-QAPCUYQASA-N 1 0 332.488 3.280 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C(C)=C1CCC1 ZINC001754043787 1440534914 /nfs/dbraw/zinc/53/49/14/1440534914.db2.gz DAIWCNRUGZNOFO-UHFFFAOYSA-N 1 0 330.472 3.442 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593197709 994165169 /nfs/dbraw/zinc/16/51/69/994165169.db2.gz KXVBDSDJTKEORN-DZKIICNBSA-N 1 0 346.471 3.394 20 10 EGCDRO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593219905 994304268 /nfs/dbraw/zinc/30/42/68/994304268.db2.gz PNXKFQIVWUFDKA-VZDIAYEVSA-N 1 0 332.444 3.148 20 10 EGCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000021741638 212245740 /nfs/dbraw/zinc/24/57/40/212245740.db2.gz LNTPONITTOOIKJ-UHFFFAOYSA-N 1 0 333.435 3.258 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000180678143 455226084 /nfs/dbraw/zinc/22/60/84/455226084.db2.gz IRCIAPVUXMBRCI-JCQPUDPBSA-N 1 0 333.453 3.331 20 10 EGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180800209 455246868 /nfs/dbraw/zinc/24/68/68/455246868.db2.gz JHBMBHGRKQRWRX-CYBMUJFWSA-N 1 0 325.334 3.445 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000183267260 455265653 /nfs/dbraw/zinc/26/56/53/455265653.db2.gz JFSYUWBEQIPQDP-UHFFFAOYSA-N 1 0 332.488 3.162 20 10 EGCDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)N(C)C)cc1OC ZINC000183591608 455309183 /nfs/dbraw/zinc/30/91/83/455309183.db2.gz XGZMDCFAJOXBRR-WMLDXEAASA-N 1 0 344.455 3.363 20 10 EGCDRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000089594708 454164977 /nfs/dbraw/zinc/16/49/77/454164977.db2.gz SDTINZQFPDWTLZ-GOSISDBHSA-N 1 0 345.531 3.438 20 10 EGCDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000078998533 454352597 /nfs/dbraw/zinc/35/25/97/454352597.db2.gz JDLQXYZPWWZPLN-QGZVFWFLSA-N 1 0 340.467 3.340 20 10 EGCDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)C1 ZINC000091949047 454492812 /nfs/dbraw/zinc/49/28/12/454492812.db2.gz DYSOCQUFYKVQPH-QGZVFWFLSA-N 1 0 343.515 3.223 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000091958274 454494542 /nfs/dbraw/zinc/49/45/42/454494542.db2.gz PLLXPLAVLZKWKE-CVEARBPZSA-N 1 0 331.412 3.472 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)cc1F ZINC000092098224 454520938 /nfs/dbraw/zinc/52/09/38/454520938.db2.gz BLROZIUCFZEDHO-UHFFFAOYSA-N 1 0 345.466 3.176 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c(O)c1 ZINC000092482900 454573356 /nfs/dbraw/zinc/57/33/56/454573356.db2.gz CUMXMXWRTSZAIC-UHFFFAOYSA-N 1 0 347.484 3.350 20 10 EGCDRO Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000160433269 455458261 /nfs/dbraw/zinc/45/82/61/455458261.db2.gz JEYUYGFYVPUFLF-OAHLLOKOSA-N 1 0 327.403 3.259 20 10 EGCDRO COc1cccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1O ZINC000123170982 454610097 /nfs/dbraw/zinc/61/00/97/454610097.db2.gz NOGNVCHCJHIFLB-UHFFFAOYSA-N 1 0 344.430 3.248 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000092704725 454614213 /nfs/dbraw/zinc/61/42/13/454614213.db2.gz IJLJOZRNJOMZLS-QGZVFWFLSA-N 1 0 343.402 3.236 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000124329100 454720177 /nfs/dbraw/zinc/72/01/77/454720177.db2.gz UFXQKXZYVZEQIS-UONOGXRCSA-N 1 0 329.410 3.287 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176489919 454751275 /nfs/dbraw/zinc/75/12/75/454751275.db2.gz ISIYRLOUQBMOQM-UHFFFAOYSA-N 1 0 345.487 3.331 20 10 EGCDRO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc2c(cc1O)CCCC2 ZINC000184878029 455466209 /nfs/dbraw/zinc/46/62/09/455466209.db2.gz PEHBHEVNKNJRBL-CQSZACIVSA-N 1 0 340.471 3.440 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccco1 ZINC000111399561 454863586 /nfs/dbraw/zinc/86/35/86/454863586.db2.gz WLROJHUVMAWJSK-MRXNPFEDSA-N 1 0 341.455 3.064 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(Br)cc1O ZINC000184913217 455471743 /nfs/dbraw/zinc/47/17/43/455471743.db2.gz PTESCXVSFSUDHO-NSHDSACASA-N 1 0 339.277 3.432 20 10 EGCDRO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1O ZINC000154265677 454879145 /nfs/dbraw/zinc/87/91/45/454879145.db2.gz MTMSOEZSDUTQGX-UHFFFAOYSA-N 1 0 328.368 3.474 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154458419 454899111 /nfs/dbraw/zinc/89/91/11/454899111.db2.gz VGHCLTPMCNLADS-CQSZACIVSA-N 1 0 330.403 3.219 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000177872862 454914241 /nfs/dbraw/zinc/91/42/41/454914241.db2.gz ANDHUEZXAHWKEH-YOEHRIQHSA-N 1 0 333.451 3.135 20 10 EGCDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000151210294 454953526 /nfs/dbraw/zinc/95/35/26/454953526.db2.gz XLPSIBQLAUNBED-GOSISDBHSA-N 1 0 331.504 3.050 20 10 EGCDRO Cc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)o1 ZINC000170738305 454966329 /nfs/dbraw/zinc/96/63/29/454966329.db2.gz YZJDWMGUKACQPB-MDWZMJQESA-N 1 0 338.498 3.377 20 10 EGCDRO CC[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(Br)ccc1O ZINC000155386512 454995400 /nfs/dbraw/zinc/99/54/00/454995400.db2.gz GAZVNLULWDJRDK-ZDUSSCGKSA-N 1 0 343.265 3.064 20 10 EGCDRO COc1ccc(OC)c2c1CN(Cc1cccc(Cl)c1[O-])C[C@@H]2O ZINC000179614087 455061266 /nfs/dbraw/zinc/06/12/66/455061266.db2.gz SNGIZVYTBIUXBD-AWEZNQCLSA-N 1 0 349.814 3.112 20 10 EGCDRO CCOC[C@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179645381 455063757 /nfs/dbraw/zinc/06/37/57/455063757.db2.gz FVGQFASJMQBKLG-QFBILLFUSA-N 1 0 329.440 3.353 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1C ZINC000179777671 455077871 /nfs/dbraw/zinc/07/78/71/455077871.db2.gz KGODWXYRJRWVET-MRXNPFEDSA-N 1 0 336.439 3.431 20 10 EGCDRO Cc1nc(C)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000172738873 455181082 /nfs/dbraw/zinc/18/10/82/455181082.db2.gz ANWWFKSWDCAZQT-UHFFFAOYSA-N 1 0 331.485 3.229 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000157580467 455209571 /nfs/dbraw/zinc/20/95/71/455209571.db2.gz YZWPQVCHHKQYQZ-MGPUTAFESA-N 1 0 344.430 3.047 20 10 EGCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cccn3C)cc2F)C[C@H](C)O1 ZINC000265660616 455357693 /nfs/dbraw/zinc/35/76/93/455357693.db2.gz RLXPXEHDCHBGSP-GJZGRUSLSA-N 1 0 331.435 3.068 20 10 EGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699314 455430581 /nfs/dbraw/zinc/43/05/81/455430581.db2.gz FBNZRERKYDHVMS-CYBMUJFWSA-N 1 0 326.868 3.218 20 10 EGCDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000160146668 455432625 /nfs/dbraw/zinc/43/26/25/455432625.db2.gz ZSHTUJDLGMUWDU-HOTGVXAUSA-N 1 0 337.483 3.043 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000184733514 455438054 /nfs/dbraw/zinc/43/80/54/455438054.db2.gz BLBUTWMLIWJJNQ-ZDUSSCGKSA-N 1 0 349.862 3.242 20 10 EGCDRO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000184883842 455466916 /nfs/dbraw/zinc/46/69/16/455466916.db2.gz QBLYRDNWFZMUKS-LLVKDONJSA-N 1 0 335.375 3.408 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000182405356 455506800 /nfs/dbraw/zinc/50/68/00/455506800.db2.gz GUDDLIGKEGMUQX-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000185191623 455518958 /nfs/dbraw/zinc/51/89/58/455518958.db2.gz VRUYETQTXKBDAW-KBXCAEBGSA-N 1 0 338.467 3.110 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185195668 455519836 /nfs/dbraw/zinc/51/98/36/455519836.db2.gz XFQVLIILLYGERD-INIZCTEOSA-N 1 0 326.440 3.400 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000185231927 455525482 /nfs/dbraw/zinc/52/54/82/455525482.db2.gz RTQQIDIJINDKGK-CQSZACIVSA-N 1 0 332.419 3.323 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c1 ZINC000185498467 455569063 /nfs/dbraw/zinc/56/90/63/455569063.db2.gz UMODQFUYNCSVBH-LLVKDONJSA-N 1 0 340.349 3.272 20 10 EGCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(C)c(C)cc1O)n2C ZINC000185831630 455631399 /nfs/dbraw/zinc/63/13/99/455631399.db2.gz FEHROYNBLXUTDC-UHFFFAOYSA-N 1 0 325.412 3.194 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)ccc1OC ZINC000271430181 455633552 /nfs/dbraw/zinc/63/35/52/455633552.db2.gz NWCVWSMRZGPXOR-KRWDZBQOSA-N 1 0 335.444 3.007 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000192873208 455709203 /nfs/dbraw/zinc/70/92/03/455709203.db2.gz RRJSZZUZOQYSKB-ZDUSSCGKSA-N 1 0 329.396 3.065 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000268878555 455717232 /nfs/dbraw/zinc/71/72/32/455717232.db2.gz XBBIPZXTVGUPGA-IAQYHMDHSA-N 1 0 334.357 3.390 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000186373938 455755657 /nfs/dbraw/zinc/75/56/57/455755657.db2.gz UQMHMVWBRWHKNT-GFCCVEGCSA-N 1 0 337.416 3.176 20 10 EGCDRO COc1ccc(O)c(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000271813544 455770809 /nfs/dbraw/zinc/77/08/09/455770809.db2.gz MJOMRWITEVASRB-LJQANCHMSA-N 1 0 327.424 3.273 20 10 EGCDRO COc1ccc(O)c(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000271813543 455771315 /nfs/dbraw/zinc/77/13/15/455771315.db2.gz MJOMRWITEVASRB-IBGZPJMESA-N 1 0 327.424 3.273 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1O ZINC000271834227 455780565 /nfs/dbraw/zinc/78/05/65/455780565.db2.gz PERYGBXMRHRZCZ-RTBURBONSA-N 1 0 327.424 3.025 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CCCO)c2ccccc2)c1O ZINC000271845959 455784719 /nfs/dbraw/zinc/78/47/19/455784719.db2.gz WRZRMUWTPZSZPJ-SFHVURJKSA-N 1 0 331.387 3.337 20 10 EGCDRO COCC[C@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293600896 455792191 /nfs/dbraw/zinc/79/21/91/455792191.db2.gz GAUMSKWCUIIYAI-CTNGQTDRSA-N 1 0 343.467 3.443 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)cc1OC ZINC000271870223 455793291 /nfs/dbraw/zinc/79/32/91/455793291.db2.gz XJPLLNDQPJEGGJ-BUXKBTBVSA-N 1 0 349.402 3.414 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1OC ZINC000271907129 455799125 /nfs/dbraw/zinc/79/91/25/455799125.db2.gz WYDMYSPVHIAZMS-UHFFFAOYSA-N 1 0 344.386 3.362 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1N(C)C ZINC000294024921 455803228 /nfs/dbraw/zinc/80/32/28/455803228.db2.gz HREDDSVTAQJTGX-HOCLYGCPSA-N 1 0 330.394 3.196 20 10 EGCDRO O=C(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)NCC(F)F ZINC000294525883 455818589 /nfs/dbraw/zinc/81/85/89/455818589.db2.gz ZOASBFMZRVGOTE-INIZCTEOSA-N 1 0 348.393 3.037 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000269244130 455820666 /nfs/dbraw/zinc/82/06/66/455820666.db2.gz ZEJUCEXHTJZZDP-XIKOKIGWSA-N 1 0 329.419 3.043 20 10 EGCDRO Cc1cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)ccc1N(C)C ZINC000294689990 455823703 /nfs/dbraw/zinc/82/37/03/455823703.db2.gz TTYJDEPSNBDXJA-UHFFFAOYSA-N 1 0 328.378 3.404 20 10 EGCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294734997 455825533 /nfs/dbraw/zinc/82/55/33/455825533.db2.gz GYVCRTWADZNQIE-HNNXBMFYSA-N 1 0 345.512 3.198 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)Cc3cccnc3)cc2)CC1 ZINC000294970162 455834232 /nfs/dbraw/zinc/83/42/32/455834232.db2.gz NZKWVZWVGBIEDO-UHFFFAOYSA-N 1 0 325.456 3.329 20 10 EGCDRO OC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000295048375 455836569 /nfs/dbraw/zinc/83/65/69/455836569.db2.gz NHIKGVUCQCRDJJ-AEFFLSMTSA-N 1 0 327.424 3.222 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000278475637 455837976 /nfs/dbraw/zinc/83/79/76/455837976.db2.gz OHJRLJMKIBCXGH-FUHWJXTLSA-N 1 0 341.503 3.196 20 10 EGCDRO CCOC[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295138416 455841031 /nfs/dbraw/zinc/84/10/31/455841031.db2.gz ZEIWIJWGUNUGAF-SFHVURJKSA-N 1 0 332.488 3.160 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1O ZINC000279623372 455869355 /nfs/dbraw/zinc/86/93/55/455869355.db2.gz HDZVIJBMGYBGBB-OAHLLOKOSA-N 1 0 328.250 3.200 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(C)cc1O ZINC000279923773 455878030 /nfs/dbraw/zinc/87/80/30/455878030.db2.gz AJISWWBKMKMVIP-DOTOQJQBSA-N 1 0 328.460 3.144 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)ccc1OC ZINC000285630587 455885112 /nfs/dbraw/zinc/88/51/12/455885112.db2.gz YRSKOSASMRFDKZ-VQIMIIECSA-N 1 0 348.487 3.015 20 10 EGCDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280304046 455941729 /nfs/dbraw/zinc/94/17/29/455941729.db2.gz OHGDFQZMGYMMGO-XFNZEKPQSA-N 1 0 336.423 3.018 20 10 EGCDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280494481 455983758 /nfs/dbraw/zinc/98/37/58/455983758.db2.gz FNBAGVFIPVANMX-OAHLLOKOSA-N 1 0 346.393 3.009 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccccn1 ZINC000270903356 456062784 /nfs/dbraw/zinc/06/27/84/456062784.db2.gz JYROHSZYJKQRBK-INIZCTEOSA-N 1 0 325.456 3.141 20 10 EGCDRO FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC000287599394 456073537 /nfs/dbraw/zinc/07/35/37/456073537.db2.gz INQIZORHBDYKPT-GDBMZVCRSA-N 1 0 328.378 3.486 20 10 EGCDRO COC(=O)c1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c[nH]1 ZINC000271037232 456106729 /nfs/dbraw/zinc/10/67/29/456106729.db2.gz GLGLNKLNXGQYAE-UHFFFAOYSA-N 1 0 327.428 3.032 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000297062674 456106904 /nfs/dbraw/zinc/10/69/04/456106904.db2.gz YFPHOOAMMVWNCG-UHFFFAOYSA-N 1 0 346.519 3.160 20 10 EGCDRO CCc1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000271053222 456114258 /nfs/dbraw/zinc/11/42/58/456114258.db2.gz XRXNKQWZNVMPMP-UHFFFAOYSA-N 1 0 331.485 3.174 20 10 EGCDRO COCCC[N@H+](Cc1ccncc1)Cc1ccc(N(C)C)c(F)c1 ZINC000289393010 456122642 /nfs/dbraw/zinc/12/26/42/456122642.db2.gz FHLVAOJIHWHWCC-UHFFFAOYSA-N 1 0 331.435 3.325 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC000289532331 456128214 /nfs/dbraw/zinc/12/82/14/456128214.db2.gz HRICWTFAUOWLJB-MRXNPFEDSA-N 1 0 347.377 3.460 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000289839578 456151042 /nfs/dbraw/zinc/15/10/42/456151042.db2.gz NCLPYGNSPZFOCK-YLJYHZDGSA-N 1 0 327.424 3.047 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(O)c1 ZINC000289842864 456152189 /nfs/dbraw/zinc/15/21/89/456152189.db2.gz URFDHICOBAIFDZ-HIFRSBDPSA-N 1 0 347.377 3.174 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc1OC ZINC000281225493 456171027 /nfs/dbraw/zinc/17/10/27/456171027.db2.gz KRMXZTQXKFELBO-XBVQOTNRSA-N 1 0 349.471 3.171 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1O ZINC000289946130 456190950 /nfs/dbraw/zinc/19/09/50/456190950.db2.gz XFNWHHBCJZDYBP-GOSISDBHSA-N 1 0 333.453 3.430 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc(Cl)ccc1O ZINC000273439560 456229804 /nfs/dbraw/zinc/22/98/04/456229804.db2.gz YASGYCLBJSZTHP-ZDUSSCGKSA-N 1 0 347.846 3.128 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000290121699 456245723 /nfs/dbraw/zinc/24/57/23/456245723.db2.gz MCNPRTNJVGAPAE-KRWDZBQOSA-N 1 0 332.419 3.323 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)CC2 ZINC000297654420 456271139 /nfs/dbraw/zinc/27/11/39/456271139.db2.gz KHZRERPAMDMIPY-KRWDZBQOSA-N 1 0 342.414 3.145 20 10 EGCDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000290274184 456278845 /nfs/dbraw/zinc/27/88/45/456278845.db2.gz LTBYEUJMJVICJY-MRXNPFEDSA-N 1 0 338.517 3.151 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1O ZINC000281852092 456340888 /nfs/dbraw/zinc/34/08/88/456340888.db2.gz ZGXRYRZLDZDRPC-FQEVSTJZSA-N 1 0 343.398 3.048 20 10 EGCDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000282324590 456477053 /nfs/dbraw/zinc/47/70/53/456477053.db2.gz ALRGMKROYHUWQV-GOSISDBHSA-N 1 0 337.423 3.018 20 10 EGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000276848596 456598442 /nfs/dbraw/zinc/59/84/42/456598442.db2.gz UMSGUKOCIKKYFX-SFHVURJKSA-N 1 0 330.472 3.449 20 10 EGCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000348707176 456822123 /nfs/dbraw/zinc/82/21/23/456822123.db2.gz QUWBJMSVTLXGBL-INIZCTEOSA-N 1 0 342.487 3.018 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000283694814 456825435 /nfs/dbraw/zinc/82/54/35/456825435.db2.gz RJGFJEOKBPULSD-YJBOKZPZSA-N 1 0 345.487 3.187 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccccc1O ZINC000359990595 457189850 /nfs/dbraw/zinc/18/98/50/457189850.db2.gz BXWMEIMJRBIPQQ-FXECBMLZSA-N 1 0 336.435 3.200 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000352126240 457340323 /nfs/dbraw/zinc/34/03/23/457340323.db2.gz QZBYDJULPOASIV-FMKPAKJESA-N 1 0 327.472 3.364 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@](CO)(C(C)C)C2)c1O ZINC000378125854 457379878 /nfs/dbraw/zinc/37/98/78/457379878.db2.gz BOAYAYNCIRHXML-INIZCTEOSA-N 1 0 342.277 3.304 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)Cn3ccnc3C)CC2)cc1 ZINC000370633869 457687319 /nfs/dbraw/zinc/68/73/19/457687319.db2.gz JBKWVBZBDNWGIE-MRXNPFEDSA-N 1 0 342.487 3.095 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)cc1F ZINC000366084070 457791512 /nfs/dbraw/zinc/79/15/12/457791512.db2.gz DYMFDHHKAQSLIJ-JKSUJKDBSA-N 1 0 330.451 3.441 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000371401677 457910958 /nfs/dbraw/zinc/91/09/58/457910958.db2.gz QUTRNKGDXWQYRB-QUCCMNQESA-N 1 0 330.472 3.105 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000375525082 457961216 /nfs/dbraw/zinc/96/12/16/457961216.db2.gz JTZDNCKYCWMDGQ-UHFFFAOYSA-N 1 0 345.418 3.037 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(F)cc1[O-] ZINC000367596191 457966047 /nfs/dbraw/zinc/96/60/47/457966047.db2.gz FMMQRFSONPTDQP-KRWDZBQOSA-N 1 0 326.375 3.353 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(C)n1-c1ccccn1 ZINC000728604989 574761394 /nfs/dbraw/zinc/76/13/94/574761394.db2.gz NASGIAXCIRSRPZ-KRWDZBQOSA-N 1 0 340.471 3.092 20 10 EGCDRO NC(=O)c1cccc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000729685827 574879210 /nfs/dbraw/zinc/87/92/10/574879210.db2.gz JDBUUTFAOVDMBF-UHFFFAOYSA-N 1 0 346.430 3.490 20 10 EGCDRO CC[N@@H+]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000732095525 575236714 /nfs/dbraw/zinc/23/67/14/575236714.db2.gz HGTNTAVJSIPTOA-UHFFFAOYSA-N 1 0 325.456 3.262 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000732449764 575270554 /nfs/dbraw/zinc/27/05/54/575270554.db2.gz NIENYPHGDXFJFW-SFHVURJKSA-N 1 0 346.519 3.205 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000733167661 575312267 /nfs/dbraw/zinc/31/22/67/575312267.db2.gz YEUOJYBCFORASF-IBGZPJMESA-N 1 0 327.472 3.410 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000734867485 575565488 /nfs/dbraw/zinc/56/54/88/575565488.db2.gz OIGPMKJFGHATDA-SFHVURJKSA-N 1 0 348.535 3.227 20 10 EGCDRO c1ccc2c(c1)SC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000735508924 575672253 /nfs/dbraw/zinc/67/22/53/575672253.db2.gz QSGGCPBCTUIDDH-SFHVURJKSA-N 1 0 326.465 3.460 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@H](C(F)(F)F)C2)c1 ZINC000739875424 576513135 /nfs/dbraw/zinc/51/31/35/576513135.db2.gz JOSIWIKTEVQWGE-ZDUSSCGKSA-N 1 0 333.350 3.158 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000742372748 576775118 /nfs/dbraw/zinc/77/51/18/576775118.db2.gz VPBNMBJTMGWXNZ-SFHVURJKSA-N 1 0 329.419 3.298 20 10 EGCDRO CCC[C@H](CCO)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742709289 576793773 /nfs/dbraw/zinc/79/37/73/576793773.db2.gz DAIPQCOFNUJKJJ-MRXNPFEDSA-N 1 0 349.475 3.473 20 10 EGCDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000743498749 576810472 /nfs/dbraw/zinc/81/04/72/576810472.db2.gz FGULZCNYDVRVOV-MFKMUULPSA-N 1 0 346.265 3.050 20 10 EGCDRO C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+]1CCCCCC1 ZINC000743718133 576815212 /nfs/dbraw/zinc/81/52/12/576815212.db2.gz ZZVSUCJGURXOGE-HNNXBMFYSA-N 1 0 330.472 3.152 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000768902516 1303009628 /nfs/dbraw/zinc/00/96/28/1303009628.db2.gz VSUYYTQTAIZACZ-UHFFFAOYSA-N 1 0 349.434 3.271 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H](COC(C)C)C3)c2c1 ZINC000769811805 1303179502 /nfs/dbraw/zinc/17/95/02/1303179502.db2.gz BCLYPZOYXGMNPZ-KRWDZBQOSA-N 1 0 345.439 3.180 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000015067048 1291146155 /nfs/dbraw/zinc/14/61/55/1291146155.db2.gz RUDHDCSBKLDTKJ-UHFFFAOYSA-N 1 0 346.434 3.171 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2F)[NH+](C)C)cc1 ZINC000038635185 1291403702 /nfs/dbraw/zinc/40/37/02/1291403702.db2.gz UTNGZRDQACNTRA-GOSISDBHSA-N 1 0 347.409 3.064 20 10 EGCDRO C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C[NH+]1CCCCC1 ZINC000057042854 1291842144 /nfs/dbraw/zinc/84/21/44/1291842144.db2.gz WSGMYEDAGKZJHH-KRWDZBQOSA-N 1 0 346.519 3.016 20 10 EGCDRO CNC(=O)CC1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827957842 1292411676 /nfs/dbraw/zinc/41/16/76/1292411676.db2.gz OPSAFPFJDHDPTQ-UHFFFAOYSA-N 1 0 343.515 3.333 20 10 EGCDRO Cc1cnccc1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000828062788 1292425287 /nfs/dbraw/zinc/42/52/87/1292425287.db2.gz RXIIAVQHLAYLHR-IBGZPJMESA-N 1 0 326.440 3.319 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)cc2)CC1 ZINC000828428506 1292462472 /nfs/dbraw/zinc/46/24/72/1292462472.db2.gz LZUDNITXQOWVBE-LJQANCHMSA-N 1 0 332.488 3.037 20 10 EGCDRO COCCO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000829093418 1292539009 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COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000756431702 1300490519 /nfs/dbraw/zinc/49/05/19/1300490519.db2.gz OORUXZXQKKQVFZ-MRXNPFEDSA-N 1 0 348.487 3.342 20 10 EGCDRO C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(Br)cc1O ZINC000756457979 1300495769 /nfs/dbraw/zinc/49/57/69/1300495769.db2.gz INPMVENCYZJHQW-GFCCVEGCSA-N 1 0 338.249 3.482 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756456596 1300495865 /nfs/dbraw/zinc/49/58/65/1300495865.db2.gz YNIQNXVHIGEWRC-IAGOWNOFSA-N 1 0 329.440 3.408 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1CO)c1cc(Br)ccc1O ZINC000756462086 1300497512 /nfs/dbraw/zinc/49/75/12/1300497512.db2.gz YTWZDFZEUUKZIS-LLVKDONJSA-N 1 0 336.229 3.498 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(Br)ccc1O ZINC000756495324 1300506711 /nfs/dbraw/zinc/50/67/11/1300506711.db2.gz PZGHHPMEWWUARY-WDEREUQCSA-N 1 0 336.233 3.227 20 10 EGCDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000756530299 1300514515 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CCOc1ccc(O)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000758530629 1300904176 /nfs/dbraw/zinc/90/41/76/1300904176.db2.gz VGUPXGVYSPHXDH-ICSRJNTNSA-N 1 0 345.414 3.186 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000758849111 1300965421 /nfs/dbraw/zinc/96/54/21/1300965421.db2.gz SUNVEVDFBIPATG-QGZVFWFLSA-N 1 0 333.476 3.188 20 10 EGCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000759173056 1301032044 /nfs/dbraw/zinc/03/20/44/1301032044.db2.gz MINNYYARMXUFHL-ICSRJNTNSA-N 1 0 327.424 3.343 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1O ZINC000760040924 1301212218 /nfs/dbraw/zinc/21/22/18/1301212218.db2.gz MXCVNCWZHCJRGR-OEPMTFCVSA-N 1 0 333.378 3.487 20 10 EGCDRO CC1(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000760454880 1301274017 /nfs/dbraw/zinc/27/40/17/1301274017.db2.gz MNXMTDDWJJDBLP-OAHLLOKOSA-N 1 0 336.863 3.316 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000761185756 1301415594 /nfs/dbraw/zinc/41/55/94/1301415594.db2.gz VKYAITSGTKHGPX-UHFFFAOYSA-N 1 0 335.492 3.488 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1O ZINC000761195211 1301418505 /nfs/dbraw/zinc/41/85/05/1301418505.db2.gz IZJALQMXYXFASS-UHFFFAOYSA-N 1 0 333.815 3.361 20 10 EGCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761202477 1301420134 /nfs/dbraw/zinc/42/01/34/1301420134.db2.gz ZHRACDQTIRCONM-DYVFJYSZSA-N 1 0 341.835 3.266 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000761216591 1301422817 /nfs/dbraw/zinc/42/28/17/1301422817.db2.gz SYCAVIGVXYMMID-HNNXBMFYSA-N 1 0 325.836 3.445 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000761973171 1301580385 /nfs/dbraw/zinc/58/03/85/1301580385.db2.gz NDUUBYPGKXXZOC-LLVKDONJSA-N 1 0 334.441 3.015 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000762648459 1301721283 /nfs/dbraw/zinc/72/12/83/1301721283.db2.gz IZWKVLOXIFDFCC-FMKPAKJESA-N 1 0 336.451 3.170 20 10 EGCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(N(C)C)cc1 ZINC000764565139 1302091080 /nfs/dbraw/zinc/09/10/80/1302091080.db2.gz YZOKVWZUPIBGKO-SFHVURJKSA-N 1 0 345.531 3.438 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000765254411 1302229894 /nfs/dbraw/zinc/22/98/94/1302229894.db2.gz JGXFMGZUBSCYOK-INIZCTEOSA-N 1 0 325.456 3.142 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)cc1 ZINC000765286776 1302238167 /nfs/dbraw/zinc/23/81/67/1302238167.db2.gz GCGRGRHEZMQPKL-KXBFYZLASA-N 1 0 346.446 3.372 20 10 EGCDRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000765607370 1302289743 /nfs/dbraw/zinc/28/97/43/1302289743.db2.gz CIMKTOQEDUPDKM-HNNXBMFYSA-N 1 0 327.424 3.498 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c(O)c1 ZINC000765639741 1302294169 /nfs/dbraw/zinc/29/41/69/1302294169.db2.gz VKAHPGDXNFOXDK-SBUREZEXSA-N 1 0 333.453 3.000 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)Cc3ccncc3)CC2)cc1 ZINC000766487020 1302460209 /nfs/dbraw/zinc/46/02/09/1302460209.db2.gz BAJLCKSBCLGRNW-MRXNPFEDSA-N 1 0 325.456 3.280 20 10 EGCDRO CCC[N@@H+](Cc1c(O)cccc1OC)C[C@@H]1COc2ccccc2O1 ZINC000768180304 1302846880 /nfs/dbraw/zinc/84/68/80/1302846880.db2.gz LHXFJMAXJSWXAO-OAHLLOKOSA-N 1 0 343.423 3.453 20 10 EGCDRO CCN1C[C@@H](C[N@H+](C)Cc2cccc(OC)c2O)Oc2ccccc21 ZINC000768213204 1302855180 /nfs/dbraw/zinc/85/51/80/1302855180.db2.gz OGWJQVYJDDYBIS-MRXNPFEDSA-N 1 0 342.439 3.120 20 10 EGCDRO CCOc1ccc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000768219538 1302858654 /nfs/dbraw/zinc/85/86/54/1302858654.db2.gz JPVYDUBFUCZBQT-UHFFFAOYSA-N 1 0 340.467 3.417 20 10 EGCDRO COc1cccc(O)c1CN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000768303389 1302875555 /nfs/dbraw/zinc/87/55/55/1302875555.db2.gz NIJDAOTXIGUWPO-UHFFFAOYSA-N 1 0 334.803 3.125 20 10 EGCDRO Cc1ccccc1OCCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768443195 1302903002 /nfs/dbraw/zinc/90/30/02/1302903002.db2.gz RGJKIBCFSGDRTI-SFHVURJKSA-N 1 0 343.423 3.027 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)[C@@H](O)CO2 ZINC000768441023 1302903934 /nfs/dbraw/zinc/90/39/34/1302903934.db2.gz CPVQSTCRSXTSAQ-APWZRJJASA-N 1 0 343.398 3.164 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768445841 1302906179 /nfs/dbraw/zinc/90/61/79/1302906179.db2.gz INACFCXPJCRWMM-KUHUBIRLSA-N 1 0 343.398 3.022 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000768906139 1303011153 /nfs/dbraw/zinc/01/11/53/1303011153.db2.gz WBLHNVNHGRMIKY-UHFFFAOYSA-N 1 0 349.471 3.167 20 10 EGCDRO O=C(C[C@@H]1C=CCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768914114 1303011889 /nfs/dbraw/zinc/01/18/89/1303011889.db2.gz CLMYLKBSLNLAFW-RHSMWYFYSA-N 1 0 348.874 3.483 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)cc1 ZINC000769427827 1303112006 /nfs/dbraw/zinc/11/20/06/1303112006.db2.gz PLVRZFXEHNFCJB-GOSISDBHSA-N 1 0 330.472 3.308 20 10 EGCDRO C[C@H]1COCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769457117 1303117242 /nfs/dbraw/zinc/11/72/42/1303117242.db2.gz QVQAWOSFPGWOQB-OAHLLOKOSA-N 1 0 333.432 3.053 20 10 EGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)c2[O-])C[C@H]1C ZINC000769469979 1303119653 /nfs/dbraw/zinc/11/96/53/1303119653.db2.gz IXOSMNXTJHRTGB-OCCSQVGLSA-N 1 0 341.293 3.459 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000770319733 1303247876 /nfs/dbraw/zinc/24/78/76/1303247876.db2.gz BAQGCRLRWSGJEZ-YJBOKZPZSA-N 1 0 331.412 3.472 20 10 EGCDRO COc1cccc(O)c1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000770351638 1303252231 /nfs/dbraw/zinc/25/22/31/1303252231.db2.gz TYSCKOONDHGWGJ-UHFFFAOYSA-N 1 0 335.831 3.439 20 10 EGCDRO Cc1cccc(C2=CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1 ZINC000770661441 1303302145 /nfs/dbraw/zinc/30/21/45/1303302145.db2.gz RZTOCUMQUOWGBQ-FQEVSTJZSA-N 1 0 337.419 3.416 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1O ZINC000770745939 1303313557 /nfs/dbraw/zinc/31/35/57/1303313557.db2.gz JYJVJDSRNBJNKS-WDEREUQCSA-N 1 0 344.249 3.068 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000771376307 1303395138 /nfs/dbraw/zinc/39/51/38/1303395138.db2.gz WJGHVZZVACHJPU-MRXNPFEDSA-N 1 0 325.456 3.386 20 10 EGCDRO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000886228600 1303404177 /nfs/dbraw/zinc/40/41/77/1303404177.db2.gz BVYNNEKTTATBPU-RBUKOAKNSA-N 1 0 327.424 3.079 20 10 EGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886325795 1303433846 /nfs/dbraw/zinc/43/38/46/1303433846.db2.gz QVDIGCSTTXLZOR-YJBOKZPZSA-N 1 0 329.488 3.057 20 10 EGCDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886324630 1303434051 /nfs/dbraw/zinc/43/40/51/1303434051.db2.gz ADVVJHWKHPJYBV-SFHVURJKSA-N 1 0 343.515 3.447 20 10 EGCDRO CC1CCC([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000886325381 1303434206 /nfs/dbraw/zinc/43/42/06/1303434206.db2.gz DDIBCTAZIVIWKL-UHFFFAOYSA-N 1 0 329.488 3.057 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000773016762 1303609624 /nfs/dbraw/zinc/60/96/24/1303609624.db2.gz RPJVOAPUBJMABR-NJAFHUGGSA-N 1 0 338.517 3.149 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)[C@H]1CN(C)CCO1 ZINC000773071925 1303619232 /nfs/dbraw/zinc/61/92/32/1303619232.db2.gz LONJMRPPYALBCW-WAOWUJCRSA-N 1 0 345.531 3.437 20 10 EGCDRO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(N(C)C)cc1 ZINC000773611306 1303713950 /nfs/dbraw/zinc/71/39/50/1303713950.db2.gz HSGXEKUZLIKFDL-APWZRJJASA-N 1 0 344.503 3.083 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)cc1 ZINC000773758776 1303736139 /nfs/dbraw/zinc/73/61/39/1303736139.db2.gz YQARJIIWZTWZDV-HXUWFJFHSA-N 1 0 328.456 3.317 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000773764739 1303737491 /nfs/dbraw/zinc/73/74/91/1303737491.db2.gz CUJKJSLGXCPXNI-INIZCTEOSA-N 1 0 330.394 3.278 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000775177768 1303920172 /nfs/dbraw/zinc/92/01/72/1303920172.db2.gz CIMOWEMNXRYAAI-UHFFFAOYSA-N 1 0 326.356 3.083 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc(N2CCOCC2)cc1 ZINC000775258632 1303932099 /nfs/dbraw/zinc/93/20/99/1303932099.db2.gz HLNSFEMWQZUKBP-JSGCOSHPSA-N 1 0 329.271 3.368 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000775362705 1303947194 /nfs/dbraw/zinc/94/71/94/1303947194.db2.gz HUMUIYMYBWYOEO-SNVBAGLBSA-N 1 0 329.322 3.010 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]1Oc1ccccc1 ZINC000775499420 1303974341 /nfs/dbraw/zinc/97/43/41/1303974341.db2.gz DNXIQLKLQIWERF-HMXCVIKNSA-N 1 0 339.435 3.336 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000775648302 1304004010 /nfs/dbraw/zinc/00/40/10/1304004010.db2.gz DGJLANFBXPYTRH-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO CCc1ccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC000775724577 1304021777 /nfs/dbraw/zinc/02/17/77/1304021777.db2.gz MCTWGSXPFJBIKM-UHFFFAOYSA-N 1 0 326.440 3.285 20 10 EGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000775826688 1304044354 /nfs/dbraw/zinc/04/43/54/1304044354.db2.gz FPCSDSYYFKOJIO-LBPRGKRZSA-N 1 0 332.835 3.090 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775833440 1304046663 /nfs/dbraw/zinc/04/66/63/1304046663.db2.gz IXWRGMQPWJKNIL-RHSMWYFYSA-N 1 0 348.874 3.497 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775832986 1304046840 /nfs/dbraw/zinc/04/68/40/1304046840.db2.gz DSISYYKQQANASH-MRXNPFEDSA-N 1 0 331.504 3.490 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775833852 1304047008 /nfs/dbraw/zinc/04/70/08/1304047008.db2.gz GLUBFQUDSDIPCD-KXBFYZLASA-N 1 0 346.446 3.120 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775835536 1304048235 /nfs/dbraw/zinc/04/82/35/1304048235.db2.gz UIRMOGBGKDITQA-BXWFABGCSA-N 1 0 331.504 3.440 20 10 EGCDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3c(O)cccc3Cl)C2)c1 ZINC000776163575 1304104527 /nfs/dbraw/zinc/10/45/27/1304104527.db2.gz IYXYYEXOMBRMDB-CYBMUJFWSA-N 1 0 332.831 3.423 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]Cc2cccc(F)n2)c1O ZINC000776251800 1304120786 /nfs/dbraw/zinc/12/07/86/1304120786.db2.gz BCXQIULZXRFKRG-UHFFFAOYSA-N 1 0 325.181 3.287 20 10 EGCDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776256919 1304122585 /nfs/dbraw/zinc/12/25/85/1304122585.db2.gz SOFNNBBDGZUVRJ-RISCZKNCSA-N 1 0 328.250 3.368 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccsc3)CC1)[C@H](O)CO2 ZINC000776781599 1304198412 /nfs/dbraw/zinc/19/84/12/1304198412.db2.gz LYBJHFCPXYDQBY-QGZVFWFLSA-N 1 0 331.437 3.259 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)cn1 ZINC000778211971 1304420372 /nfs/dbraw/zinc/42/03/72/1304420372.db2.gz HNZFZDDCQBQGCK-UHFFFAOYSA-N 1 0 331.847 3.204 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000779021702 1304519666 /nfs/dbraw/zinc/51/96/66/1304519666.db2.gz GKGGOKZAXIXXAD-DGCLKSJQSA-N 1 0 339.277 3.350 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cnccn2)c1O ZINC000779040325 1304522157 /nfs/dbraw/zinc/52/21/57/1304522157.db2.gz HRVJUZXDQDUWSR-LLVKDONJSA-N 1 0 336.233 3.146 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000779088959 1304527751 /nfs/dbraw/zinc/52/77/51/1304527751.db2.gz WVYDTWKAFAVDTQ-UHFFFAOYSA-N 1 0 329.400 3.382 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1F ZINC000780575607 1304711151 /nfs/dbraw/zinc/71/11/51/1304711151.db2.gz FMKZNQGFNNWKAD-XJKSGUPXSA-N 1 0 348.384 3.465 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)co1 ZINC000780934758 1304753426 /nfs/dbraw/zinc/75/34/26/1304753426.db2.gz ABLDLEJBWYQRIV-MRXNPFEDSA-N 1 0 348.830 3.341 20 10 EGCDRO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccsc1 ZINC000891254131 1305001203 /nfs/dbraw/zinc/00/12/03/1305001203.db2.gz VWHHXTKZXHTCQF-KBXCAEBGSA-N 1 0 345.512 3.337 20 10 EGCDRO Oc1ccccc1C[N@H+](Cc1cnc2n1CCOC2)C1CCCCC1 ZINC000891436420 1305050142 /nfs/dbraw/zinc/05/01/42/1305050142.db2.gz MGRVGBUMHGDVMQ-UHFFFAOYSA-N 1 0 341.455 3.454 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1O ZINC000783517709 1305101880 /nfs/dbraw/zinc/10/18/80/1305101880.db2.gz IAAOHMFHHCENIP-QFBILLFUSA-N 1 0 338.451 3.277 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000783638573 1305121088 /nfs/dbraw/zinc/12/10/88/1305121088.db2.gz RLTDZDRBMIGBGT-LSDHHAIUSA-N 1 0 340.414 3.273 20 10 EGCDRO C[C@@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1O ZINC000892128839 1305259542 /nfs/dbraw/zinc/25/95/42/1305259542.db2.gz GIQNXVQQIKQQNM-PBHICJAKSA-N 1 0 327.428 3.233 20 10 EGCDRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000784620012 1305265639 /nfs/dbraw/zinc/26/56/39/1305265639.db2.gz BOGBGRPBZCKYBV-GOSISDBHSA-N 1 0 345.464 3.116 20 10 EGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2O)C12CCC2 ZINC000892230143 1305288379 /nfs/dbraw/zinc/28/83/79/1305288379.db2.gz WCBNXFLLAXZIIB-HOTGVXAUSA-N 1 0 335.444 3.189 20 10 EGCDRO COc1ccc(C[NH2+]CCOc2ccc(C)cc2C)c(O)c1OC ZINC000892451725 1305380160 /nfs/dbraw/zinc/38/01/60/1305380160.db2.gz CJACZNPMWUIVPE-UHFFFAOYSA-N 1 0 331.412 3.195 20 10 EGCDRO COc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)c(O)c1OC ZINC000892605672 1305465862 /nfs/dbraw/zinc/46/58/62/1305465862.db2.gz UKTRKFKZUZJMIP-UHFFFAOYSA-N 1 0 331.387 3.370 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CSCc3ccccc32)c(O)c1OC ZINC000892685212 1305508445 /nfs/dbraw/zinc/50/84/45/1305508445.db2.gz XYAPOJTVHDEKCR-HNNXBMFYSA-N 1 0 331.437 3.487 20 10 EGCDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892874696 1305589362 /nfs/dbraw/zinc/58/93/62/1305589362.db2.gz AHHVMJHNXGIADF-UHFFFAOYSA-N 1 0 331.412 3.443 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)cc1C ZINC000786820294 1305635331 /nfs/dbraw/zinc/63/53/31/1305635331.db2.gz DMVQPKXTSVGERU-OAHLLOKOSA-N 1 0 339.439 3.384 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@H]1C ZINC000787239813 1305715177 /nfs/dbraw/zinc/71/51/77/1305715177.db2.gz CUCAXOLNDYOIQK-STQMWFEESA-N 1 0 343.423 3.401 20 10 EGCDRO Cc1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000788124651 1305872476 /nfs/dbraw/zinc/87/24/76/1305872476.db2.gz YDKCTFXYLDLOSG-SJORKVTESA-N 1 0 339.439 3.273 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c(O)c1 ZINC000788625000 1305985721 /nfs/dbraw/zinc/98/57/21/1305985721.db2.gz ITPZTIAMEZMYCJ-CABCVRRESA-N 1 0 329.419 3.473 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000788642739 1305989328 /nfs/dbraw/zinc/98/93/28/1305989328.db2.gz IENDRGXBGCFNEE-HNNXBMFYSA-N 1 0 347.503 3.406 20 10 EGCDRO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(Br)cc1O ZINC000788982639 1306057479 /nfs/dbraw/zinc/05/74/79/1306057479.db2.gz XREYIXIOLTZTEL-ZETCQYMHSA-N 1 0 328.128 3.342 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c(O)c1OC ZINC000893898970 1306121203 /nfs/dbraw/zinc/12/12/03/1306121203.db2.gz YLMUNMKKHWNIJE-CQSZACIVSA-N 1 0 333.359 3.162 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000893962847 1306149667 /nfs/dbraw/zinc/14/96/67/1306149667.db2.gz UCWXYRFVVJENFI-ZDUSSCGKSA-N 1 0 344.402 3.373 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000894019502 1306177781 /nfs/dbraw/zinc/17/77/81/1306177781.db2.gz HFKAKHZVEKFITH-CYBMUJFWSA-N 1 0 338.448 3.054 20 10 EGCDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000789563950 1306186102 /nfs/dbraw/zinc/18/61/02/1306186102.db2.gz AYAGEVUAKIQQIZ-LJQANCHMSA-N 1 0 347.459 3.322 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1O ZINC000789592294 1306188536 /nfs/dbraw/zinc/18/85/36/1306188536.db2.gz AZKYSXOIDWWXFK-KRWDZBQOSA-N 1 0 327.852 3.427 20 10 EGCDRO COc1ccc(OC)c(CC[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894207557 1306276942 /nfs/dbraw/zinc/27/69/42/1306276942.db2.gz SBESXYUFLXHHNV-UHFFFAOYSA-N 1 0 331.412 3.059 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c(O)c1OC ZINC000894258116 1306306090 /nfs/dbraw/zinc/30/60/90/1306306090.db2.gz JFLKMPMMGRBOGK-OAHLLOKOSA-N 1 0 333.815 3.320 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000894562709 1308954419 /nfs/dbraw/zinc/95/44/19/1308954419.db2.gz XKSOIDYYCJGXTF-FXAWDEMLSA-N 1 0 345.414 3.104 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c1O ZINC000894794561 1309074638 /nfs/dbraw/zinc/07/46/38/1309074638.db2.gz MYILPALAPSKUAQ-UHFFFAOYSA-N 1 0 341.455 3.303 20 10 EGCDRO CCn1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000792184229 1309138823 /nfs/dbraw/zinc/13/88/23/1309138823.db2.gz TXTAXDMSCKVIQD-UHFFFAOYSA-N 1 0 331.435 3.116 20 10 EGCDRO CN(C)c1ccc(CN2CCC[C@@H]([NH+](C)C)C2)c(C(F)(F)F)c1 ZINC000792809894 1309234765 /nfs/dbraw/zinc/23/47/65/1309234765.db2.gz DWDMKGXOQXZDKM-OAHLLOKOSA-N 1 0 329.410 3.297 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)c1 ZINC000792984177 1309275218 /nfs/dbraw/zinc/27/52/18/1309275218.db2.gz SAVANERQJRDYLK-UHFFFAOYSA-N 1 0 327.359 3.015 20 10 EGCDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793060374 1309289699 /nfs/dbraw/zinc/28/96/99/1309289699.db2.gz AXHKFPHLFSUOFJ-CHWSQXEVSA-N 1 0 330.394 3.364 20 10 EGCDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000793250115 1309330036 /nfs/dbraw/zinc/33/00/36/1309330036.db2.gz KOOMRIUUTTWONZ-IBGZPJMESA-N 1 0 347.459 3.322 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2OC(C)C)c(O)c1 ZINC000793388456 1309361295 /nfs/dbraw/zinc/36/12/95/1309361295.db2.gz OGAMUMILRQGOBT-UHFFFAOYSA-N 1 0 331.412 3.486 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c(O)c1 ZINC000793389639 1309362547 /nfs/dbraw/zinc/36/25/47/1309362547.db2.gz KWQCEBSWXIVXSC-UHFFFAOYSA-N 1 0 329.396 3.336 20 10 EGCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cccc(C)c3O)C2)cc1F ZINC000895504911 1309379184 /nfs/dbraw/zinc/37/91/84/1309379184.db2.gz YDIPNGSQQSVCEQ-HNNXBMFYSA-N 1 0 344.386 3.131 20 10 EGCDRO CCc1cc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000793641498 1309421716 /nfs/dbraw/zinc/42/17/16/1309421716.db2.gz DMSDVQSCLMZRGC-QLPKVWCKSA-N 1 0 331.456 3.103 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794666024 1309566339 /nfs/dbraw/zinc/56/63/39/1309566339.db2.gz MIGREUKPHJINHY-YWZLYKJASA-N 1 0 333.472 3.378 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCn2nc(C(F)(F)F)cc2C)c1O ZINC000896268723 1309777794 /nfs/dbraw/zinc/77/77/94/1309777794.db2.gz ITOYEFOQQWWBGY-UHFFFAOYSA-N 1 0 343.349 3.023 20 10 EGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000796521492 1310019726 /nfs/dbraw/zinc/01/97/26/1310019726.db2.gz HOPUXOWGXLFEBW-AWEZNQCLSA-N 1 0 327.266 3.119 20 10 EGCDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000797096789 1310139680 /nfs/dbraw/zinc/13/96/80/1310139680.db2.gz MFSDNVLVFWENFW-AWEZNQCLSA-N 1 0 346.471 3.400 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000797132399 1310145448 /nfs/dbraw/zinc/14/54/48/1310145448.db2.gz QFYXCJKHMAZCNN-WNSKOXEYSA-N 1 0 330.497 3.482 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](CO)CC3CCCC3)CC2)cc1 ZINC000798937690 1310462164 /nfs/dbraw/zinc/46/21/64/1310462164.db2.gz ODTZVTUXVOUYDW-SFHVURJKSA-N 1 0 346.515 3.442 20 10 EGCDRO Cc1cc(C(=O)NC2(C[NH+](C)C)CCC2)c(C)n1-c1ccc(F)cc1 ZINC000799038031 1310471814 /nfs/dbraw/zinc/47/18/14/1310471814.db2.gz DLZCXUDKAMQDBN-UHFFFAOYSA-N 1 0 343.446 3.447 20 10 EGCDRO c1cc2cc(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2[nH]1 ZINC000799351069 1310534488 /nfs/dbraw/zinc/53/44/88/1310534488.db2.gz ZMMSAWPGQRPHOS-UHFFFAOYSA-N 1 0 335.451 3.337 20 10 EGCDRO COc1ccsc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450529 1310741967 /nfs/dbraw/zinc/74/19/67/1310741967.db2.gz RUUPEKWQIMCRFP-MRXNPFEDSA-N 1 0 333.501 3.215 20 10 EGCDRO CC(C)[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101648 1310933372 /nfs/dbraw/zinc/93/33/72/1310933372.db2.gz KHFBXYVUSYKYHB-CRAIPNDOSA-N 1 0 334.508 3.041 20 10 EGCDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824812992 1320287732 /nfs/dbraw/zinc/28/77/32/1320287732.db2.gz ALXDUFPRYMQPMD-LBPRGKRZSA-N 1 0 328.250 3.403 20 10 EGCDRO Cc1ccc(F)c(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000824977480 1320301224 /nfs/dbraw/zinc/30/12/24/1320301224.db2.gz 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CC(C)(C[NH2+]Cc1ccc(Br)cc1O)OCC1CC1 ZINC000826121083 1320384147 /nfs/dbraw/zinc/38/41/47/1320384147.db2.gz MWIKRFCJLQYOSA-UHFFFAOYSA-N 1 0 328.250 3.450 20 10 EGCDRO COc1ccc(N2CCCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)cc1 ZINC000827468074 1320456101 /nfs/dbraw/zinc/45/61/01/1320456101.db2.gz KVGOBGRLUNAJMH-HXUWFJFHSA-N 1 0 345.531 3.470 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1O ZINC000827538005 1320459470 /nfs/dbraw/zinc/45/94/70/1320459470.db2.gz LELGCQKSENGYET-UHFFFAOYSA-N 1 0 337.847 3.445 20 10 EGCDRO C[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000836406716 1320484157 /nfs/dbraw/zinc/48/41/57/1320484157.db2.gz USXZBQKCHPFHSK-HNNXBMFYSA-N 1 0 344.503 3.130 20 10 EGCDRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000838923325 1320835774 /nfs/dbraw/zinc/83/57/74/1320835774.db2.gz REGVFVHRCPKUAO-INIZCTEOSA-N 1 0 338.451 3.136 20 10 EGCDRO CON1CCC([N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000839132034 1320877876 /nfs/dbraw/zinc/87/78/76/1320877876.db2.gz VJDYCNHQPUHFSV-UHFFFAOYSA-N 1 0 331.504 3.443 20 10 EGCDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000840809777 1321153646 /nfs/dbraw/zinc/15/36/46/1321153646.db2.gz UTLWMZMFANJWDB-GXTWGEPZSA-N 1 0 335.831 3.481 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000840810673 1321154006 /nfs/dbraw/zinc/15/40/06/1321154006.db2.gz ROCYTKWZECTSLI-WBVHZDCISA-N 1 0 329.440 3.444 20 10 EGCDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000840810331 1321154085 /nfs/dbraw/zinc/15/40/85/1321154085.db2.gz RLLWVEJTMKTEAF-MDASCCDHSA-N 1 0 348.462 3.271 20 10 EGCDRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840837978 1321160304 /nfs/dbraw/zinc/16/03/04/1321160304.db2.gz XZASWTBUCQCNTK-GJZGRUSLSA-N 1 0 340.895 3.500 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000840947161 1321183594 /nfs/dbraw/zinc/18/35/94/1321183594.db2.gz NWUVJFGREJUIMK-MRXNPFEDSA-N 1 0 330.394 3.340 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)ccc1OC ZINC000840962228 1321188308 /nfs/dbraw/zinc/18/83/08/1321188308.db2.gz HEBXKHRAVOOXRU-SFHVURJKSA-N 1 0 347.430 3.237 20 10 EGCDRO OCC1([C@H]([NH2+]Cc2cc(F)ccc2O)c2ccccc2)CCOCC1 ZINC000840972050 1321191236 /nfs/dbraw/zinc/19/12/36/1321191236.db2.gz GEZCAEMBWJCPLH-LJQANCHMSA-N 1 0 345.414 3.151 20 10 EGCDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840976564 1321192212 /nfs/dbraw/zinc/19/22/12/1321192212.db2.gz DKPMSUSOYKZHHA-NVXWUHKLSA-N 1 0 347.459 3.178 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000840975799 1321192662 /nfs/dbraw/zinc/19/26/62/1321192662.db2.gz LSNUQPSOLQZDGK-OAHLLOKOSA-N 1 0 337.471 3.064 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841033571 1321204098 /nfs/dbraw/zinc/20/40/98/1321204098.db2.gz VWESBANSHZUPOC-SFHVURJKSA-N 1 0 326.440 3.203 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000841031994 1321204433 /nfs/dbraw/zinc/20/44/33/1321204433.db2.gz FUHXODRXCMEQSJ-UHFFFAOYSA-N 1 0 349.272 3.254 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2csc(C(C)(C)C)n2)cc1 ZINC000841042409 1321207595 /nfs/dbraw/zinc/20/75/95/1321207595.db2.gz JJLIGFJZIPAHDH-MRXNPFEDSA-N 1 0 332.517 3.296 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000841309443 1321252222 /nfs/dbraw/zinc/25/22/22/1321252222.db2.gz WSNQRBXTKYNVJM-UHFFFAOYSA-N 1 0 339.439 3.482 20 10 EGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OCCCF ZINC000841492717 1321279550 /nfs/dbraw/zinc/27/95/50/1321279550.db2.gz AYMLBADUCMRHPO-AWEZNQCLSA-N 1 0 344.814 3.096 20 10 EGCDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841748795 1321306906 /nfs/dbraw/zinc/30/69/06/1321306906.db2.gz YZLZVEZZTGZNOD-GFCCVEGCSA-N 1 0 348.830 3.135 20 10 EGCDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000841864207 1321324266 /nfs/dbraw/zinc/32/42/66/1321324266.db2.gz HIFWVWKHHIEASH-ZIAGYGMSSA-N 1 0 340.414 3.414 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)CC2CCCCC2)c1O ZINC000841894511 1321328860 /nfs/dbraw/zinc/32/88/60/1321328860.db2.gz XUTHSAFVMQWZTP-HNNXBMFYSA-N 1 0 327.852 3.475 20 10 EGCDRO CCCC[C@H](C[NH3+])NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000841959187 1321332322 /nfs/dbraw/zinc/33/23/22/1321332322.db2.gz WAAQQNXJXLAONX-QGZVFWFLSA-N 1 0 334.508 3.192 20 10 EGCDRO Fc1cc(CNc2ccc3[nH]cnc3c2)ccc1N1CCOCC1 ZINC000842207444 1321362475 /nfs/dbraw/zinc/36/24/75/1321362475.db2.gz CCKAMGJMCOXYJL-UHFFFAOYSA-N 1 0 326.375 3.151 20 10 EGCDRO Cc1cc2c(ncnc2NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000842270008 1321366917 /nfs/dbraw/zinc/36/69/17/1321366917.db2.gz YLUMVDXJZGYCEC-HNNXBMFYSA-N 1 0 327.457 3.178 20 10 EGCDRO CCN(C[C@@H](C[NH3+])c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000842471506 1321392512 /nfs/dbraw/zinc/39/25/12/1321392512.db2.gz FVTAETANADXKIH-MRXNPFEDSA-N 1 0 344.455 3.281 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2F)CC1 ZINC000842667821 1321415426 /nfs/dbraw/zinc/41/54/26/1321415426.db2.gz DVWJFGJEMLPILW-UHFFFAOYSA-N 1 0 342.405 3.454 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cn3c(cccc3C)n2)c1 ZINC000842933838 1321450695 /nfs/dbraw/zinc/45/06/95/1321450695.db2.gz SMRSOHLDZDQJDI-AWEZNQCLSA-N 1 0 325.412 3.250 20 10 EGCDRO CSc1ccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843350699 1321504374 /nfs/dbraw/zinc/50/43/74/1321504374.db2.gz WUZGJKHRYXPMIV-UHFFFAOYSA-N 1 0 341.480 3.259 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)ccc1N1CCOCC1 ZINC000843415939 1321514594 /nfs/dbraw/zinc/51/45/94/1321514594.db2.gz FHSHLVFSPUANIM-PKOBYXMFSA-N 1 0 348.462 3.053 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC[NH2+]CC1 ZINC000843486917 1321522194 /nfs/dbraw/zinc/52/21/94/1321522194.db2.gz XKRRLOBWFZRFEZ-MRXNPFEDSA-N 1 0 338.451 3.482 20 10 EGCDRO Cc1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)c(C)n1-c1ccc(F)cc1 ZINC000843485285 1321522488 /nfs/dbraw/zinc/52/24/88/1321522488.db2.gz PZEBJWGLYOLRHL-QGZVFWFLSA-N 1 0 343.446 3.495 20 10 EGCDRO COC1CCN(c2ccc(C[NH+]3CCC([C@@H](C)CO)CC3)cc2)CC1 ZINC000844416171 1321604101 /nfs/dbraw/zinc/60/41/01/1321604101.db2.gz JQPGWYPNRNXZQI-KRWDZBQOSA-N 1 0 346.515 3.142 20 10 EGCDRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+]1CCCC[C@@H]1C ZINC000844879614 1321653559 /nfs/dbraw/zinc/65/35/59/1321653559.db2.gz IXACURLAYNMEKL-STQMWFEESA-N 1 0 339.867 3.108 20 10 EGCDRO Fc1cc(C[NH2+]Cc2cccc3c2CCC3)ccc1N1CCOCC1 ZINC000845924628 1321754138 /nfs/dbraw/zinc/75/41/38/1321754138.db2.gz MWAUMZGAXKQGFX-UHFFFAOYSA-N 1 0 340.442 3.441 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3c(c2)ncn3C)cc1 ZINC000846052452 1321764633 /nfs/dbraw/zinc/76/46/33/1321764633.db2.gz QSWYBFDESBAFBZ-UHFFFAOYSA-N 1 0 338.455 3.150 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000846135058 1321770137 /nfs/dbraw/zinc/77/01/37/1321770137.db2.gz AMQJKLCUNFGUEW-WBVHZDCISA-N 1 0 326.440 3.326 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc3C2)c1O ZINC000846144660 1321771225 /nfs/dbraw/zinc/77/12/25/1321771225.db2.gz MSPAKVZCPOSNST-HZPDHXFCSA-N 1 0 340.467 3.498 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1O ZINC000846144897 1321771455 /nfs/dbraw/zinc/77/14/55/1321771455.db2.gz KUDYQSWTTRPDGW-ZDUSSCGKSA-N 1 0 329.396 3.413 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCN2CCc3sccc3C2)c1O ZINC000846145268 1321771462 /nfs/dbraw/zinc/77/14/62/1321771462.db2.gz PESCFPYCKOWNML-ZDUSSCGKSA-N 1 0 332.469 3.171 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000846150510 1321772220 /nfs/dbraw/zinc/77/22/20/1321772220.db2.gz QSNOSRFPFOABDA-LBPRGKRZSA-N 1 0 338.448 3.355 20 10 EGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846151169 1321772296 /nfs/dbraw/zinc/77/22/96/1321772296.db2.gz UTUYQAILPWXAFC-PBPBQWCVSA-N 1 0 325.474 3.131 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c1O ZINC000846165218 1321773269 /nfs/dbraw/zinc/77/32/69/1321773269.db2.gz UHJWVIUDQJAMMB-GPWPYBQESA-N 1 0 342.439 3.277 20 10 EGCDRO COC(=O)c1cnc([C@@H](C)N[C@H](C)c2cccc(OC)c2O)s1 ZINC000846171362 1321773924 /nfs/dbraw/zinc/77/39/24/1321773924.db2.gz FZAKGHBNZAUGDJ-NXEZZACHSA-N 1 0 336.413 3.056 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000846166367 1321774128 /nfs/dbraw/zinc/77/41/28/1321774128.db2.gz XQRYPZWIKKUPLZ-PBHICJAKSA-N 1 0 346.471 3.375 20 10 EGCDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846203012 1321775521 /nfs/dbraw/zinc/77/55/21/1321775521.db2.gz DGMDXMBOPUZCDE-CABCVRRESA-N 1 0 336.451 3.128 20 10 EGCDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000846215838 1321776744 /nfs/dbraw/zinc/77/67/44/1321776744.db2.gz TXVJGKRJCWHEHX-XLIONFOSSA-N 1 0 332.488 3.259 20 10 EGCDRO C[C@H](c1ccccc1)[N@H+](CC[C@H]1CCNC1=O)Cc1ccccc1O ZINC000846839914 1321815098 /nfs/dbraw/zinc/81/50/98/1321815098.db2.gz HUJVRCVVPWWSEZ-SJLPKXTDSA-N 1 0 338.451 3.482 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848526476 1321969277 /nfs/dbraw/zinc/96/92/77/1321969277.db2.gz YQAYCBUXWSXFAI-OAQYLSRUSA-N 1 0 343.515 3.020 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2OC)c1O ZINC000848891378 1322031449 /nfs/dbraw/zinc/03/14/49/1322031449.db2.gz QFJGLQVCSVNNJY-UHFFFAOYSA-N 1 0 331.412 3.270 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)c1O ZINC000848902792 1322038453 /nfs/dbraw/zinc/03/84/53/1322038453.db2.gz SWOHSVVODZQDFV-MRXNPFEDSA-N 1 0 332.831 3.314 20 10 EGCDRO Cc1cnc(OC2CC[NH+](Cc3c(O)cccc3Cl)CC2)nc1 ZINC000848925009 1322046833 /nfs/dbraw/zinc/04/68/33/1322046833.db2.gz KVUPZBCKGMIOHU-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2)c(O)c(C(C)(C)C)c1 ZINC000850091903 1322191956 /nfs/dbraw/zinc/19/19/56/1322191956.db2.gz COWYZKILMACOCA-CQSZACIVSA-N 1 0 331.460 3.321 20 10 EGCDRO COc1cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850181327 1322203144 /nfs/dbraw/zinc/20/31/44/1322203144.db2.gz SGKCZTXIDTVKSK-OALUTQOASA-N 1 0 341.451 3.446 20 10 EGCDRO OC/C=C/C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000850357763 1322233584 /nfs/dbraw/zinc/23/35/84/1322233584.db2.gz UQHZXAPSXLVZPM-GORDUTHDSA-N 1 0 339.277 3.078 20 10 EGCDRO COC(=O)N(C)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000850389749 1322236760 /nfs/dbraw/zinc/23/67/60/1322236760.db2.gz DVDWYNSNPWCHSN-UHFFFAOYSA-N 1 0 347.484 3.172 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000850396923 1322238607 /nfs/dbraw/zinc/23/86/07/1322238607.db2.gz RHOOMFBWJCGXJM-KRWDZBQOSA-N 1 0 331.504 3.269 20 10 EGCDRO COc1cccc(O)c1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000850408552 1322240035 /nfs/dbraw/zinc/24/00/35/1322240035.db2.gz PVMICZVHBUEPFT-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)CC1 ZINC000850405922 1322240565 /nfs/dbraw/zinc/24/05/65/1322240565.db2.gz KKANSTFTWNWWGG-UHFFFAOYSA-N 1 0 335.451 3.419 20 10 EGCDRO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000850417928 1322244438 /nfs/dbraw/zinc/24/44/38/1322244438.db2.gz RIFLTYFAVOYLGA-HDJSIYSDSA-N 1 0 339.277 3.052 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Br)ccc1O ZINC000850546135 1322264034 /nfs/dbraw/zinc/26/40/34/1322264034.db2.gz WMZIDPMRDGWXMO-ZYHUDNBSSA-N 1 0 328.250 3.214 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000850581066 1322272827 /nfs/dbraw/zinc/27/28/27/1322272827.db2.gz UAECXRMMIMPGJG-JDNHERCYSA-N 1 0 341.329 3.202 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000850581065 1322273008 /nfs/dbraw/zinc/27/30/08/1322273008.db2.gz UAECXRMMIMPGJG-FVMDXXJSSA-N 1 0 341.329 3.202 20 10 EGCDRO C/C=C(/C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001023923655 1323029209 /nfs/dbraw/zinc/02/92/09/1323029209.db2.gz DPPUHYWNLLIVBZ-ZPZLLIBOSA-N 1 0 330.472 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C3(C)CC3)C2)cc1C ZINC001023999116 1323071370 /nfs/dbraw/zinc/07/13/70/1323071370.db2.gz LQBHZSKRKVLMEN-KRWDZBQOSA-N 1 0 330.472 3.132 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cnc2ccccc2n1 ZINC000851715639 1323072832 /nfs/dbraw/zinc/07/28/32/1323072832.db2.gz ACEXFIIPVWSKLC-UHFFFAOYSA-N 1 0 348.450 3.098 20 10 EGCDRO COc1ccnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000924791824 1323164319 /nfs/dbraw/zinc/16/43/19/1323164319.db2.gz BKAPVCHOCVLWAV-CVEARBPZSA-N 1 0 341.455 3.339 20 10 EGCDRO COC(=O)NC1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000852764156 1323238252 /nfs/dbraw/zinc/23/82/52/1323238252.db2.gz BIBCZAGNNIMUCA-UHFFFAOYSA-N 1 0 345.487 3.306 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CC23CC3)cc1C ZINC001025097697 1323893013 /nfs/dbraw/zinc/89/30/13/1323893013.db2.gz BLCCYOCDCRJHIN-MSOLQXFVSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(C)(C)F)C[C@@H]32)cc1C ZINC001026168810 1324636600 /nfs/dbraw/zinc/63/66/00/1324636600.db2.gz KZLODNKZZIUOJC-YESZJQIVSA-N 1 0 348.462 3.078 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C(C)(C)F)C[C@@H]23)cc1C ZINC001026168807 1324636893 /nfs/dbraw/zinc/63/68/93/1324636893.db2.gz KZLODNKZZIUOJC-BRWVUGGUSA-N 1 0 348.462 3.078 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C4(C)CC4)C[C@H]23)cc1C ZINC001026272381 1324696791 /nfs/dbraw/zinc/69/67/91/1324696791.db2.gz HPEBBWIQWHKUQZ-FGTMMUONSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3CC34CC4)CC2)cc1C ZINC001026566394 1324899201 /nfs/dbraw/zinc/89/92/01/1324899201.db2.gz AXKMSVUGMPJZJT-DAWZGUTISA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CC(C)(C)C)C2)cc1C ZINC001026686792 1324976272 /nfs/dbraw/zinc/97/62/72/1324976272.db2.gz CHURGIDAJQEDRK-QGZVFWFLSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(C)=C3CCC3)C2)cc1C ZINC001026836487 1325041456 /nfs/dbraw/zinc/04/14/56/1325041456.db2.gz WCAYVFMMMIURAQ-GOSISDBHSA-N 1 0 342.483 3.442 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C[C@H](C)C3CC3)C2)cc1C ZINC001027237452 1325329684 /nfs/dbraw/zinc/32/96/84/1325329684.db2.gz PDQASHQRHNOMPB-MAUKXSAKSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]CCCc2cc(OC)c(O)c(OC)c2)cc1C ZINC000856812480 1325530221 /nfs/dbraw/zinc/53/02/21/1325530221.db2.gz PJHNQLNENMTVFV-UHFFFAOYSA-N 1 0 345.439 3.449 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)c(O)c1 ZINC000926905322 1327766950 /nfs/dbraw/zinc/76/69/50/1327766950.db2.gz JPGQQRHQWOCOQQ-OAHLLOKOSA-N 1 0 347.480 3.306 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C)s3)C2)cc1C ZINC000966377587 1328282038 /nfs/dbraw/zinc/28/20/38/1328282038.db2.gz BZPPJYDDWUZFFK-MRXNPFEDSA-N 1 0 344.480 3.378 20 10 EGCDRO Oc1cccc(Br)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000862247650 1329470910 /nfs/dbraw/zinc/47/09/10/1329470910.db2.gz KPUCMYSLPFCKOJ-ZDUSSCGKSA-N 1 0 339.277 3.072 20 10 EGCDRO CN(C)c1cc(F)c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000862250053 1329471485 /nfs/dbraw/zinc/47/14/85/1329471485.db2.gz HTFICLKUBPCDQN-HNNXBMFYSA-N 1 0 337.458 3.195 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000862476439 1329489561 /nfs/dbraw/zinc/48/95/61/1329489561.db2.gz UEVOZGNJBGIIKO-ZDUSSCGKSA-N 1 0 343.383 3.116 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1 ZINC000862479024 1329489762 /nfs/dbraw/zinc/48/97/62/1329489762.db2.gz ZJYYQRIXEPHARK-DNVCBOLYSA-N 1 0 332.444 3.047 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC000862478546 1329489769 /nfs/dbraw/zinc/48/97/69/1329489769.db2.gz JIHKVKCDJZZTDI-UHFFFAOYSA-N 1 0 332.444 3.190 20 10 EGCDRO Cc1cc(CNC(=O)CCc2c[nH]cn2)c(C)n1-c1cccc(C)c1 ZINC000863161328 1329531121 /nfs/dbraw/zinc/53/11/21/1329531121.db2.gz CESSAMGSIASYHZ-UHFFFAOYSA-N 1 0 336.439 3.375 20 10 EGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000863311389 1329545611 /nfs/dbraw/zinc/54/56/11/1329545611.db2.gz KULSAAGNCLDVBH-UHFFFAOYSA-N 1 0 332.407 3.166 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)cc1 ZINC000933568621 1329902012 /nfs/dbraw/zinc/90/20/12/1329902012.db2.gz DNFVRINTTHSUJT-QGZVFWFLSA-N 1 0 328.460 3.289 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2c(Br)cnn2C)c(O)c1 ZINC000866431891 1330111139 /nfs/dbraw/zinc/11/11/39/1330111139.db2.gz FSZCHPNVWKASRX-NSHDSACASA-N 1 0 338.249 3.356 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866435335 1330111837 /nfs/dbraw/zinc/11/18/37/1330111837.db2.gz AQYUAZFIYDFWGY-WCQYABFASA-N 1 0 348.756 3.481 20 10 EGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(S(C)(=O)=O)cc1 ZINC000866535462 1330123232 /nfs/dbraw/zinc/12/32/32/1330123232.db2.gz DPDLFAHZOFDVSJ-SUMWQHHRSA-N 1 0 345.464 3.176 20 10 EGCDRO CC(C)C[NH+]1CCC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001006459927 1336510460 /nfs/dbraw/zinc/51/04/60/1336510460.db2.gz AZRUQMZYEWGFKN-UHFFFAOYSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[C@@H]3C)CC2)cc1C ZINC001034588063 1342633810 /nfs/dbraw/zinc/63/38/10/1342633810.db2.gz OHPCWECOBQNMQX-MGHWNKPDSA-N 1 0 330.472 3.177 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)cc1C ZINC001034859172 1342809447 /nfs/dbraw/zinc/80/94/47/1342809447.db2.gz QSPZAVNOCDAGLJ-RTBURBONSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3=CCCC3)C[C@@H]2C)cc1C ZINC001035998031 1343307727 /nfs/dbraw/zinc/30/77/27/1343307727.db2.gz RDIDNRHVMKIAPD-LPHOPBHVSA-N 1 0 342.483 3.441 20 10 EGCDRO CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061492 1344743699 /nfs/dbraw/zinc/74/36/99/1344743699.db2.gz QEBXVQHKJFGEKJ-INIZCTEOSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(F)F)[C@@H](C)C2)cc1C ZINC001044407283 1346319309 /nfs/dbraw/zinc/31/93/09/1346319309.db2.gz HQECTGXDGGIMCB-DZGCQCFKSA-N 1 0 340.414 3.128 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccco3)[C@@H](C)C2)cc1C ZINC001044431843 1346328700 /nfs/dbraw/zinc/32/87/00/1346328700.db2.gz OQBXFNUAKBLIKI-RDJZCZTQSA-N 1 0 342.439 3.380 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)/C=C\C3CC3)C2)cc1C ZINC001047776053 1347367736 /nfs/dbraw/zinc/36/77/36/1347367736.db2.gz WJXBRKGFPMSRKM-KUYGWEFNSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)=C3CCC3)C[C@H]2C)cc1C ZINC001054633631 1349423069 /nfs/dbraw/zinc/42/30/69/1349423069.db2.gz AJCGOOXIHNCOEI-DNVCBOLYSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1C ZINC001075227508 1356351304 /nfs/dbraw/zinc/35/13/04/1356351304.db2.gz VQLRHICGWUHAOH-FUHWJXTLSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2CC2)cc1C ZINC001085115738 1358396947 /nfs/dbraw/zinc/39/69/47/1358396947.db2.gz DVPJOCMRUVNLAX-QZTJIDSGSA-N 1 0 330.472 3.321 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(Cc3ccc(C)cc3)CC2)c1 ZINC001323447035 1387371634 /nfs/dbraw/zinc/37/16/34/1387371634.db2.gz XUWPZUPNIBJHHB-UHFFFAOYSA-N 1 0 340.467 3.417 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[C@H]3C(C)C)C2)cc1C ZINC001086518138 1359126330 /nfs/dbraw/zinc/12/63/30/1359126330.db2.gz HNVZTCQVRSBLQZ-VJANTYMQSA-N 1 0 344.499 3.280 20 10 EGCDRO CCCCC[NH2+]C1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001101051701 1364393574 /nfs/dbraw/zinc/39/35/74/1364393574.db2.gz NMJJWPYQAIVMSK-UHFFFAOYSA-N 1 0 345.447 3.137 20 10 EGCDRO C[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC001324760062 1387761817 /nfs/dbraw/zinc/76/18/17/1387761817.db2.gz HANWENXORFRNMA-DOTOQJQBSA-N 1 0 347.499 3.347 20 10 EGCDRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCc2cccc(O)c2C1 ZINC001189746334 1367101160 /nfs/dbraw/zinc/10/11/60/1367101160.db2.gz JLVFYIGNMWNCNM-UHFFFAOYSA-N 1 0 340.423 3.170 20 10 EGCDRO C[C@@H]1CCc2nc(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)sc2C1 ZINC001325319530 1387933122 /nfs/dbraw/zinc/93/31/22/1387933122.db2.gz LGSKPNCTOQATPL-CZUORRHYSA-N 1 0 344.528 3.124 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)CC(C)C)C2)cc1C ZINC001186660963 1387995568 /nfs/dbraw/zinc/99/55/68/1387995568.db2.gz YGGKTQAKWGKCGF-FUHWJXTLSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC001201917867 1369642669 /nfs/dbraw/zinc/64/26/69/1369642669.db2.gz CONDDQCWXJCWCK-FQEVSTJZSA-N 1 0 330.472 3.024 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC001325786514 1388045712 /nfs/dbraw/zinc/04/57/12/1388045712.db2.gz UGEYZPIXQXRKGH-CJNGLKHVSA-N 1 0 334.851 3.099 20 10 EGCDRO O=C1Nc2ccccc2CN1C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203556327 1370168198 /nfs/dbraw/zinc/16/81/98/1370168198.db2.gz MSVNOHQSMFMETC-UHFFFAOYSA-N 1 0 337.423 3.404 20 10 EGCDRO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)c1 ZINC001203558289 1370169456 /nfs/dbraw/zinc/16/94/56/1370169456.db2.gz BUSXNXUCOYGUJT-MRXNPFEDSA-N 1 0 345.464 3.175 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)c1O ZINC001203610193 1370186633 /nfs/dbraw/zinc/18/66/33/1370186633.db2.gz YNQAJHPEUSNVGF-FQEVSTJZSA-N 1 0 346.471 3.158 20 10 EGCDRO COc1ccc(CN(Cc2cccnc2)Cc2ccccn2)c(O)c1 ZINC001203629394 1370193121 /nfs/dbraw/zinc/19/31/21/1370193121.db2.gz IJBSGIGSIBQJOC-UHFFFAOYSA-N 1 0 335.407 3.393 20 10 EGCDRO COc1ccc(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(O)c1 ZINC001203628049 1370193258 /nfs/dbraw/zinc/19/32/58/1370193258.db2.gz WQIOCUNCSYFKBG-INIZCTEOSA-N 1 0 326.440 3.280 20 10 EGCDRO OCC[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC001203635892 1370195729 /nfs/dbraw/zinc/19/57/29/1370195729.db2.gz KBHIWKOEDYDJAG-CYBMUJFWSA-N 1 0 340.261 3.139 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]21 ZINC001203651158 1370201664 /nfs/dbraw/zinc/20/16/64/1370201664.db2.gz JLMCMJXIVNCCRH-AGGWBTHJSA-N 1 0 338.835 3.001 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001203656374 1370203888 /nfs/dbraw/zinc/20/38/88/1370203888.db2.gz OYWVLEAMQIJEHZ-ZWKOTPCHSA-N 1 0 343.858 3.289 20 10 EGCDRO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657977 1370205176 /nfs/dbraw/zinc/20/51/76/1370205176.db2.gz PMOLVIQJYSSDFN-GOSISDBHSA-N 1 0 336.863 3.269 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001203680218 1370216241 /nfs/dbraw/zinc/21/62/41/1370216241.db2.gz MAKLJFAIUIQLQS-OKILXGFUSA-N 1 0 347.418 3.431 20 10 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O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158430382 1381242721 /nfs/dbraw/zinc/24/27/21/1381242721.db2.gz HJNLLSMPMBHXQM-MVMOUZJFSA-N 1 0 336.395 3.384 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CCC[C@@H]2C)cc1C ZINC001158619099 1381324945 /nfs/dbraw/zinc/32/49/45/1381324945.db2.gz SPJKSTGZJPFWOI-MAUKXSAKSA-N 1 0 332.488 3.426 20 10 EGCDRO c1cc(Nc2ccc3c(c2)OCCN3)cc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160217820 1382037127 /nfs/dbraw/zinc/03/71/27/1382037127.db2.gz BNPMQCLLNMHALN-KRWDZBQOSA-N 1 0 325.412 3.365 20 10 EGCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@@H]1CC[NH2+][C@@H]1C)N=[N+]=[N-] ZINC001162670702 1382827528 /nfs/dbraw/zinc/82/75/28/1382827528.db2.gz YMEZPGKIVOBNQP-NGVDKPIASA-N 1 0 344.419 3.075 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H](C)C2)cc1C ZINC001165399847 1383286731 /nfs/dbraw/zinc/28/67/31/1383286731.db2.gz IRIXECMIGPSYMZ-YJBOKZPZSA-N 1 0 332.488 3.426 20 10 EGCDRO CC[C@H]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001166045790 1383380684 /nfs/dbraw/zinc/38/06/84/1383380684.db2.gz CJDRPBUHRFPZDW-ROUUACIJSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N(C)C)cc[nH+]2)C1 ZINC001166815535 1383482006 /nfs/dbraw/zinc/48/20/06/1383482006.db2.gz ADOUOCJFDVANBM-UHFFFAOYSA-N 1 0 336.439 3.211 20 10 EGCDRO CCc1cc(Cl)nnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426213 1383631042 /nfs/dbraw/zinc/63/10/42/1383631042.db2.gz BVNPVTYNSYOABO-UHFFFAOYSA-N 1 0 345.878 3.056 20 10 EGCDRO Oc1cc2c(cc1O)CN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCC2 ZINC001168002025 1383793110 /nfs/dbraw/zinc/79/31/10/1383793110.db2.gz BWCAAKJIMAELLO-DFNIBXOVSA-N 1 0 342.483 3.251 20 10 EGCDRO COc1ccc([C@@H]2C[C@@H]([NH2+]CCc3ccc(O)c(O)c3)CCO2)cc1 ZINC001168594569 1383944669 /nfs/dbraw/zinc/94/46/69/1383944669.db2.gz IAVKJUFXKHBKPK-JXFKEZNVSA-N 1 0 343.423 3.159 20 10 EGCDRO CSCC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C)C(=O)N(C)C ZINC001328970972 1388912315 /nfs/dbraw/zinc/91/23/15/1388912315.db2.gz DAXCZTJPZMMAIT-HZSPNIEDSA-N 1 0 336.501 3.048 20 10 EGCDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001170409064 1384310346 /nfs/dbraw/zinc/31/03/46/1384310346.db2.gz XJDIOMKKNNPUQI-QGZVFWFLSA-N 1 0 325.408 3.461 20 10 EGCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)cc1O ZINC001172530939 1384809518 /nfs/dbraw/zinc/80/95/18/1384809518.db2.gz FHZBBPIXPRJHST-OXFYSEKESA-N 1 0 327.424 3.447 20 10 EGCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172681910 1384833171 /nfs/dbraw/zinc/83/31/71/1384833171.db2.gz NILQQISHTOVQIB-IBGZPJMESA-N 1 0 338.451 3.405 20 10 EGCDRO CCOC(=O)[C@H]1CC12CCC([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC001173605185 1384986611 /nfs/dbraw/zinc/98/66/11/1384986611.db2.gz WVFMONWKBJKGFI-OHTSDLOESA-N 1 0 329.440 3.223 20 10 EGCDRO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319946515 1386409597 /nfs/dbraw/zinc/40/95/97/1386409597.db2.gz NOTOSQCPAOWAFC-MRXNPFEDSA-N 1 0 342.462 3.166 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC001320121804 1386525960 /nfs/dbraw/zinc/52/59/60/1386525960.db2.gz CVXPPVGXEJDLDH-UPJWGTAASA-N 1 0 328.378 3.475 20 10 EGCDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321208277 1386841795 /nfs/dbraw/zinc/84/17/95/1386841795.db2.gz QXSRFKLNGWYZHC-LBPRGKRZSA-N 1 0 333.373 3.008 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC2(CCOCC2)O1 ZINC001321440689 1386905710 /nfs/dbraw/zinc/90/57/10/1386905710.db2.gz QJKXAKAEORSEHE-QGZVFWFLSA-N 1 0 330.472 3.057 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC001321905098 1387007509 /nfs/dbraw/zinc/00/75/09/1387007509.db2.gz QPSYTQIYFCRIFW-KGLIPLIRSA-N 1 0 337.485 3.196 20 10 EGCDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)CCc1ccc(O)c(O)c1 ZINC001182156007 1387114424 /nfs/dbraw/zinc/11/44/24/1387114424.db2.gz ZODOWMOSTJWREW-MRXNPFEDSA-N 1 0 340.423 3.166 20 10 EGCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC001336225747 1389041020 /nfs/dbraw/zinc/04/10/20/1389041020.db2.gz PZVFGQBMHREARY-QGZVFWFLSA-N 1 0 346.862 3.024 20 10 EGCDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(N)cc1)[NH+](C)C ZINC001336890377 1389197345 /nfs/dbraw/zinc/19/73/45/1389197345.db2.gz DTUOPDCTHXNCJV-BEFAXECRSA-N 1 0 340.471 3.068 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1Cl ZINC001333906992 1390435167 /nfs/dbraw/zinc/43/51/67/1390435167.db2.gz DLKYHNFDRBYFEG-XJKSGUPXSA-N 1 0 335.835 3.097 20 10 EGCDRO CCn1c(C2SC=CC2=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001342570126 1390627353 /nfs/dbraw/zinc/62/73/53/1390627353.db2.gz QONDASOIFBGOQN-UHFFFAOYSA-N 1 0 349.504 3.043 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)/C=C/c3ccco3)C2)cc1C ZINC001752712580 1440203413 /nfs/dbraw/zinc/20/34/13/1440203413.db2.gz LKMSWABUJHPFOD-RGBLOPSHSA-N 1 0 340.423 3.047 20 10 EGCDRO CCCc1occc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001752912620 1440246025 /nfs/dbraw/zinc/24/60/25/1440246025.db2.gz CTTMHKYFNWOOEG-HNNXBMFYSA-N 1 0 344.455 3.457 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2ccc(C)o2)cc1C ZINC001753686203 1440465611 /nfs/dbraw/zinc/46/56/11/1440465611.db2.gz SYFLTEAXDRJPMG-OAHLLOKOSA-N 1 0 344.455 3.084 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2C2CC2)cc1C ZINC001754016596 1440531908 /nfs/dbraw/zinc/53/19/08/1440531908.db2.gz NRHJKVXWCWNQAF-JCGIZDLHSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)CC(C)=C(C)C)CC2)cc1C ZINC001754528229 1440621699 /nfs/dbraw/zinc/62/16/99/1440621699.db2.gz PUFVWTCLUCSSQN-UHFFFAOYSA-N 1 0 330.472 3.488 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C(C)(C)C)C2)cc1C ZINC001754710569 1440670094 /nfs/dbraw/zinc/67/00/94/1440670094.db2.gz IKMPCDCLGWHELG-FQEVSTJZSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cncs2)cc1C ZINC001755499522 1440862452 /nfs/dbraw/zinc/86/24/52/1440862452.db2.gz QOONJBJPMZWWSN-CQSZACIVSA-N 1 0 347.484 3.148 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(O)c1 ZINC000877037633 1126121612 /nfs/dbraw/zinc/12/16/12/1126121612.db2.gz TYDOVWHJDMMUOU-RDJZCZTQSA-N 1 0 339.357 3.325 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cnn(C)c2)c1O ZINC000275320561 456272701 /nfs/dbraw/zinc/27/27/01/456272701.db2.gz KZFYXWDKTBRONR-LLVKDONJSA-N 1 0 338.249 3.090 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000183138740 455237265 /nfs/dbraw/zinc/23/72/65/455237265.db2.gz WVPUJEJDGCPSKZ-QGZVFWFLSA-N 1 0 327.424 3.487 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]Cc1cccc(C(F)(F)F)c1)OCO2 ZINC000238131559 455255744 /nfs/dbraw/zinc/25/57/44/455255744.db2.gz BMSSZDPRLGXVLG-UHFFFAOYSA-N 1 0 325.286 3.430 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(Oc3ccccc3)CC1)OCO2 ZINC000057105269 454102922 /nfs/dbraw/zinc/10/29/22/454102922.db2.gz BFTRXGOLIMEBEN-UHFFFAOYSA-N 1 0 327.380 3.164 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057174221 454108894 /nfs/dbraw/zinc/10/88/94/454108894.db2.gz VYBRVDASQHKQRR-UHFFFAOYSA-N 1 0 338.451 3.263 20 10 EGCDRO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000119779468 454219128 /nfs/dbraw/zinc/21/91/28/454219128.db2.gz BRNPOKVWUQNPFT-KRWDZBQOSA-N 1 0 340.467 3.253 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1O ZINC000184709298 455433352 /nfs/dbraw/zinc/43/33/52/455433352.db2.gz RNINIYSHLFLWAM-QGZVFWFLSA-N 1 0 339.819 3.261 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1O ZINC000184710842 455434595 /nfs/dbraw/zinc/43/45/95/455434595.db2.gz LFPSTUPDUXMWCU-QGZVFWFLSA-N 1 0 339.794 3.191 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2c(C)nc3ccccc32)c1 ZINC000120652233 454330850 /nfs/dbraw/zinc/33/08/50/454330850.db2.gz TXOSBKFLUQBBSO-ZDUSSCGKSA-N 1 0 325.412 3.410 20 10 EGCDRO CCCOc1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)c(O)c1 ZINC000091836269 454479466 /nfs/dbraw/zinc/47/94/66/454479466.db2.gz IPGZMTVATFJNFJ-UHFFFAOYSA-N 1 0 331.416 3.252 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000092704724 454613728 /nfs/dbraw/zinc/61/37/28/454613728.db2.gz IJLJOZRNJOMZLS-KRWDZBQOSA-N 1 0 343.402 3.236 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)CCC)C2)c(O)c1 ZINC000092707877 454615653 /nfs/dbraw/zinc/61/56/53/454615653.db2.gz NZMQGKZHPLVRAU-MRXNPFEDSA-N 1 0 348.487 3.309 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176598599 454762525 /nfs/dbraw/zinc/76/25/25/454762525.db2.gz OOWGEAMVZNDIMZ-IEBWSBKVSA-N 1 0 346.519 3.157 20 10 EGCDRO CCc1c(C(=O)CN(C)Cc2ccccc2O)[nH]c(C)c1C(C)=O ZINC000109769143 454836087 /nfs/dbraw/zinc/83/60/87/454836087.db2.gz IDUBZMJPJRRFKR-UHFFFAOYSA-N 1 0 328.412 3.108 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000113341529 454923703 /nfs/dbraw/zinc/92/37/03/454923703.db2.gz RHMGMDFLUJVZDU-UHFFFAOYSA-N 1 0 338.879 3.170 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)n1-c1ccccc1C ZINC000113455549 454927455 /nfs/dbraw/zinc/92/74/55/454927455.db2.gz VTXZMFYKUPYQQX-GOSISDBHSA-N 1 0 339.483 3.426 20 10 EGCDRO COc1cccc([C@H](C[NH2+]Cc2ccc3c(c2)CCO3)N(C)C)c1 ZINC000126973906 454929747 /nfs/dbraw/zinc/92/97/47/454929747.db2.gz WMSTVWHQBJVKRC-IBGZPJMESA-N 1 0 326.440 3.023 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000151119005 454939689 /nfs/dbraw/zinc/93/96/89/454939689.db2.gz HAVTUJBNPMIFLO-NSHDSACASA-N 1 0 334.304 3.093 20 10 EGCDRO CSc1nnc(CCC[NH2+]Cc2ccccc2O)n1CC(C)C ZINC000114216032 454947963 /nfs/dbraw/zinc/94/79/63/454947963.db2.gz QJHUBSYGTHBQIF-UHFFFAOYSA-N 1 0 334.489 3.084 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccccc1O ZINC000155244636 454979077 /nfs/dbraw/zinc/97/90/77/454979077.db2.gz OLRQKYQXFWAHRU-MRXNPFEDSA-N 1 0 331.412 3.013 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1F ZINC000116350244 455053298 /nfs/dbraw/zinc/05/32/98/455053298.db2.gz UWTKYBWGZCPBSQ-MRXNPFEDSA-N 1 0 341.430 3.066 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000179736480 455071385 /nfs/dbraw/zinc/07/13/85/455071385.db2.gz NRINXBBLOQUAFB-INIZCTEOSA-N 1 0 333.476 3.099 20 10 EGCDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)C1 ZINC000179942265 455103185 /nfs/dbraw/zinc/10/31/85/455103185.db2.gz ZKPDYWSRIYCQCT-CQSZACIVSA-N 1 0 334.435 3.002 20 10 EGCDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000156493585 455125391 /nfs/dbraw/zinc/12/53/91/455125391.db2.gz SJVDFYOGPFBHLL-OAHLLOKOSA-N 1 0 325.456 3.353 20 10 EGCDRO Cc1cccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)c1 ZINC000183415519 455290958 /nfs/dbraw/zinc/29/09/58/455290958.db2.gz YBAVKOZXEXPCDB-FXAWDEMLSA-N 1 0 340.467 3.425 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)cc1F ZINC000180550112 455194050 /nfs/dbraw/zinc/19/40/50/455194050.db2.gz OTIINZACLCIIJZ-UHFFFAOYSA-N 1 0 340.402 3.033 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000180616834 455210152 /nfs/dbraw/zinc/21/01/52/455210152.db2.gz FLSDHDMAGKKTNX-OAHLLOKOSA-N 1 0 329.293 3.071 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000265126201 455301118 /nfs/dbraw/zinc/30/11/18/455301118.db2.gz HEIXSMIJLONFEK-MRXNPFEDSA-N 1 0 336.229 3.152 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000245637640 455345620 /nfs/dbraw/zinc/34/56/20/455345620.db2.gz CKIAYLIRBAMINM-WFASDCNBSA-N 1 0 340.261 3.464 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccncc3)C2)cc1 ZINC000174621520 455407446 /nfs/dbraw/zinc/40/74/46/455407446.db2.gz JAVBQMPEYUIETL-OAHLLOKOSA-N 1 0 333.382 3.442 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1O ZINC000184710860 455434041 /nfs/dbraw/zinc/43/40/41/455434041.db2.gz LFPSTUPDUXMWCU-KRWDZBQOSA-N 1 0 339.794 3.191 20 10 EGCDRO COc1cc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc(OC)c1OC ZINC000184753669 455442700 /nfs/dbraw/zinc/44/27/00/455442700.db2.gz HRJGFTFBYBVTQY-INIZCTEOSA-N 1 0 346.471 3.191 20 10 EGCDRO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160276420 455444034 /nfs/dbraw/zinc/44/40/34/455444034.db2.gz ZZJNBYUMMFDKOU-CQSZACIVSA-N 1 0 343.423 3.408 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)ccc1O ZINC000185464985 455561910 /nfs/dbraw/zinc/56/19/10/455561910.db2.gz JCWOVQAOJUIJLA-IUODEOHRSA-N 1 0 328.387 3.267 20 10 EGCDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000186091925 455692147 /nfs/dbraw/zinc/69/21/47/455692147.db2.gz GFARKQTZJMNBCR-AWEZNQCLSA-N 1 0 330.472 3.228 20 10 EGCDRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1=O ZINC000186102244 455694522 /nfs/dbraw/zinc/69/45/22/455694522.db2.gz VSKDFPKXQKFRRK-ZBFHGGJFSA-N 1 0 340.423 3.165 20 10 EGCDRO COc1cc(NCC[NH2+][C@H](C)c2ccc(C)cc2O)cc(OC)c1 ZINC000186154931 455705160 /nfs/dbraw/zinc/70/51/60/455705160.db2.gz JPPVKJXWHVVDSG-CQSZACIVSA-N 1 0 330.428 3.481 20 10 EGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C(C)(C)O1 ZINC000268803217 455714641 /nfs/dbraw/zinc/71/46/41/455714641.db2.gz BOMCLLSRICISQO-IBGZPJMESA-N 1 0 346.515 3.331 20 10 EGCDRO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2F)C[C@H](C)O1 ZINC000268841066 455715958 /nfs/dbraw/zinc/71/59/58/455715958.db2.gz HTWBEPXUXMJKKR-XLMAVXFVSA-N 1 0 349.494 3.012 20 10 EGCDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000193438565 455758227 /nfs/dbraw/zinc/75/82/27/455758227.db2.gz BEDWFJKSPOFCSA-QGZVFWFLSA-N 1 0 327.476 3.305 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1F ZINC000292877982 455764726 /nfs/dbraw/zinc/76/47/26/455764726.db2.gz BVNVETARQVGQCF-SFHVURJKSA-N 1 0 343.446 3.378 20 10 EGCDRO NC(=O)C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000293013002 455771735 /nfs/dbraw/zinc/77/17/35/455771735.db2.gz ODQZEBUOYCGXOY-FQEVSTJZSA-N 1 0 337.467 3.383 20 10 EGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293039392 455772867 /nfs/dbraw/zinc/77/28/67/455772867.db2.gz JPZULPIVUUMKSY-GOSISDBHSA-N 1 0 331.504 3.189 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc(F)ccc1O ZINC000293691800 455794761 /nfs/dbraw/zinc/79/47/61/455794761.db2.gz LEWRUSRSQZJOHQ-AWEZNQCLSA-N 1 0 330.403 3.219 20 10 EGCDRO COCC1(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CCOCC1 ZINC000293772594 455796847 /nfs/dbraw/zinc/79/68/47/455796847.db2.gz SSIQUUHIRGTYMW-OAHLLOKOSA-N 1 0 333.472 3.365 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1N(C)C ZINC000293793979 455797083 /nfs/dbraw/zinc/79/70/83/455797083.db2.gz MSBMVQMDLGLELB-QGZVFWFLSA-N 1 0 339.487 3.436 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C)c1 ZINC000271879027 455797268 /nfs/dbraw/zinc/79/72/68/455797268.db2.gz YPULWKSFXSTBCS-CQSZACIVSA-N 1 0 328.412 3.307 20 10 EGCDRO Cc1n[nH]c(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000294072592 455804817 /nfs/dbraw/zinc/80/48/17/455804817.db2.gz HWGRFFACPVJPHH-GOSISDBHSA-N 1 0 336.439 3.325 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1O ZINC000294127923 455806273 /nfs/dbraw/zinc/80/62/73/455806273.db2.gz UGBUQUJUBNEDQG-KRWDZBQOSA-N 1 0 327.852 3.285 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(O)c1 ZINC000278429351 455835100 /nfs/dbraw/zinc/83/51/00/455835100.db2.gz SYSFFEBXVFNKAC-BBRMVZONSA-N 1 0 347.377 3.316 20 10 EGCDRO CCN(Cc1cnc(C2OCCO2)s1)Cc1ccc(N(C)C)cc1 ZINC000278921381 455852400 /nfs/dbraw/zinc/85/24/00/455852400.db2.gz KOPSWIOGHHFFSA-UHFFFAOYSA-N 1 0 347.484 3.277 20 10 EGCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000278926153 455853900 /nfs/dbraw/zinc/85/39/00/455853900.db2.gz WZYDLPQGDVZCDG-QKLQHJQFSA-N 1 0 332.488 3.258 20 10 EGCDRO Oc1ccc(F)cc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000279467337 455865925 /nfs/dbraw/zinc/86/59/25/455865925.db2.gz RUHBIWPYSUKDEA-UHFFFAOYSA-N 1 0 329.419 3.444 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC2(CCOCC2)O1 ZINC000279769306 455872473 /nfs/dbraw/zinc/87/24/73/455872473.db2.gz NACHOGXJWHAKKC-OAHLLOKOSA-N 1 0 327.424 3.315 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC000279914293 455876786 /nfs/dbraw/zinc/87/67/86/455876786.db2.gz SKQBLDWMMBLJFJ-HHXXYDBFSA-N 1 0 330.472 3.354 20 10 EGCDRO CC[NH+]1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280090753 455888742 /nfs/dbraw/zinc/88/87/42/455888742.db2.gz ZAWVYEKQJAIUOJ-UHFFFAOYSA-N 1 0 329.410 3.345 20 10 EGCDRO Cc1c(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cnn1C ZINC000187403289 455905716 /nfs/dbraw/zinc/90/57/16/455905716.db2.gz AIAGFYHJKHXHOS-JTQLQIEISA-N 1 0 338.249 3.356 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000187528128 455921167 /nfs/dbraw/zinc/92/11/67/455921167.db2.gz VMALRRIAEZTLSW-GOSISDBHSA-N 1 0 325.387 3.452 20 10 EGCDRO C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000187674032 455937333 /nfs/dbraw/zinc/93/73/33/455937333.db2.gz FEUUYBYAYMHIHU-MJBXVCDLSA-N 1 0 342.430 3.210 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[C@H](C)O1 ZINC000296451092 455942622 /nfs/dbraw/zinc/94/26/22/455942622.db2.gz OENPLBJHWBPQPL-CIBFVHANSA-N 1 0 336.451 3.095 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(F)c(F)c1[O-] ZINC000187829966 455958080 /nfs/dbraw/zinc/95/80/80/455958080.db2.gz HBLAXZSPKYXAOE-NWDGAFQWSA-N 1 0 327.371 3.397 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000270682991 456014104 /nfs/dbraw/zinc/01/41/04/456014104.db2.gz TXZKHRGFLHYSLC-APWZRJJASA-N 1 0 346.377 3.040 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1F ZINC000280742089 456042364 /nfs/dbraw/zinc/04/23/64/456042364.db2.gz WXYGPFVEEAQFBK-JOCHJYFZSA-N 1 0 326.481 3.063 20 10 EGCDRO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1cc(F)ccc1O ZINC000287221656 456064891 /nfs/dbraw/zinc/06/48/91/456064891.db2.gz GBEWQJNIHMTGFO-KBPBESRZSA-N 1 0 346.402 3.192 20 10 EGCDRO CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1[O-] ZINC000287603333 456074049 /nfs/dbraw/zinc/07/40/49/456074049.db2.gz ISWKZGAGQPDCAG-PBHICJAKSA-N 1 0 340.895 3.323 20 10 EGCDRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1O ZINC000188514700 456076499 /nfs/dbraw/zinc/07/64/99/456076499.db2.gz BQCWHURQGMVRDH-LLVKDONJSA-N 1 0 334.357 3.456 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c1O ZINC000289485613 456127052 /nfs/dbraw/zinc/12/70/52/456127052.db2.gz QYRCVTLATCXOAM-UHFFFAOYSA-N 1 0 329.396 3.336 20 10 EGCDRO NC(=O)c1ccc(C[N@H+](Cc2c(O)cccc2Cl)C2CC2)cc1 ZINC000271114144 456130112 /nfs/dbraw/zinc/13/01/12/456130112.db2.gz VSDLCHNIIFAFMO-UHFFFAOYSA-N 1 0 330.815 3.309 20 10 EGCDRO CC[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(C)cc1O ZINC000297161908 456138062 /nfs/dbraw/zinc/13/80/62/456138062.db2.gz CXOLRNAAMSYZOK-DQPZFDDXSA-N 1 0 339.501 3.345 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c(O)c1 ZINC000263695419 456195016 /nfs/dbraw/zinc/19/50/16/456195016.db2.gz PXZVVWITTDLVMU-UHFFFAOYSA-N 1 0 341.455 3.466 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)c(O)c1C ZINC000273396493 456227470 /nfs/dbraw/zinc/22/74/70/456227470.db2.gz LZTHHGKKIRQPCK-MRXNPFEDSA-N 1 0 347.480 3.275 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)c1 ZINC000273432172 456230661 /nfs/dbraw/zinc/23/06/61/456230661.db2.gz VWNFCHYOMKTDAJ-LBPRGKRZSA-N 1 0 347.411 3.277 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c(O)c1C ZINC000273545466 456237832 /nfs/dbraw/zinc/23/78/32/456237832.db2.gz ZHCSZOKZVFHSDD-APWZRJJASA-N 1 0 338.451 3.461 20 10 EGCDRO C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(F)cc1O ZINC000273536974 456237995 /nfs/dbraw/zinc/23/79/95/456237995.db2.gz XOJXOZVMXSUQTC-XJKSGUPXSA-N 1 0 344.434 3.240 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000281526467 456257010 /nfs/dbraw/zinc/25/70/10/456257010.db2.gz HYHZIHPFFVDDFG-LBPRGKRZSA-N 1 0 333.457 3.177 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1F ZINC000275433290 456275036 /nfs/dbraw/zinc/27/50/36/456275036.db2.gz DJDWNUBDLQLYPP-UHFFFAOYSA-N 1 0 347.400 3.256 20 10 EGCDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000290271237 456277917 /nfs/dbraw/zinc/27/79/17/456277917.db2.gz WEKMSKHSAUPIFJ-WOJBJXKFSA-N 1 0 343.515 3.269 20 10 EGCDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290297337 456282153 /nfs/dbraw/zinc/28/21/53/456282153.db2.gz NGBSFZWDRVMREF-HNNXBMFYSA-N 1 0 338.467 3.376 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276617773 456533184 /nfs/dbraw/zinc/53/31/84/456533184.db2.gz DTPCYNJRTRWVSX-UHFFFAOYSA-N 1 0 338.451 3.133 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000291195724 456562138 /nfs/dbraw/zinc/56/21/38/456562138.db2.gz HBFFZTAYYQCGQE-OAQYLSRUSA-N 1 0 341.451 3.218 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000392257347 457457118 /nfs/dbraw/zinc/45/71/18/457457118.db2.gz ZVMDGKMNZRVJDP-UHFFFAOYSA-N 1 0 342.464 3.180 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1O ZINC000369037070 458072090 /nfs/dbraw/zinc/07/20/90/458072090.db2.gz VJFXKFTVWFSEJR-UHFFFAOYSA-N 1 0 345.418 3.037 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458735210 458153062 /nfs/dbraw/zinc/15/30/62/458153062.db2.gz IPRVXUGGCCMZJG-INIZCTEOSA-N 1 0 342.487 3.018 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458751927 458159681 /nfs/dbraw/zinc/15/96/81/458159681.db2.gz UZPGLAUCUXKCKB-UHFFFAOYSA-N 1 0 342.487 3.160 20 10 EGCDRO CC(F)(F)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372943547 458355245 /nfs/dbraw/zinc/35/52/45/458355245.db2.gz SPNIWLOSULRQHP-ZDUSSCGKSA-N 1 0 346.805 3.172 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000471494940 458696827 /nfs/dbraw/zinc/69/68/27/458696827.db2.gz CMZFKFCGSBOZRD-UHFFFAOYSA-N 1 0 342.487 3.160 20 10 EGCDRO CC[NH+]1CCC(CNC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000579542625 459248090 /nfs/dbraw/zinc/24/80/90/459248090.db2.gz BNBPJWNSETVOLT-UHFFFAOYSA-N 1 0 342.487 3.018 20 10 EGCDRO CC(C)c1cccc(N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c1 ZINC000592506688 459618585 /nfs/dbraw/zinc/61/85/85/459618585.db2.gz CSFGMPDDGFULQC-OAHLLOKOSA-N 1 0 326.444 3.119 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@H](OC)c2cccc(OC)c2)c(O)c1 ZINC000527734409 459718521 /nfs/dbraw/zinc/71/85/21/459718521.db2.gz GZKISFOFZCSWPP-LJQANCHMSA-N 1 0 331.412 3.277 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000529552080 459830831 /nfs/dbraw/zinc/83/08/31/459830831.db2.gz XPKOYUMTITVSPT-QGZVFWFLSA-N 1 0 349.837 3.334 20 10 EGCDRO COCCC[N@H+](Cc1ccncc1)Cc1c(O)ccc2ccncc21 ZINC000730255128 574962650 /nfs/dbraw/zinc/96/26/50/574962650.db2.gz WLHBHNOJUHZQOD-UHFFFAOYSA-N 1 0 337.423 3.374 20 10 EGCDRO Cc1cc(C(=O)CN(C)CCn2cccn2)c(C)n1-c1ccccc1 ZINC000732209384 575244980 /nfs/dbraw/zinc/24/49/80/575244980.db2.gz JTZQNDUXKRJRNK-UHFFFAOYSA-N 1 0 336.439 3.105 20 10 EGCDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732821010 575289844 /nfs/dbraw/zinc/28/98/44/575289844.db2.gz SSTCBTQUMHJALY-KXBFYZLASA-N 1 0 349.475 3.472 20 10 EGCDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735324633 575644121 /nfs/dbraw/zinc/64/41/21/575644121.db2.gz XAUJVGLUVHMGHN-INIZCTEOSA-N 1 0 349.475 3.472 20 10 EGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)C(F)(F)F ZINC000756836588 576172046 /nfs/dbraw/zinc/17/20/46/576172046.db2.gz XIAFPNIIYUCCBK-WRWORJQWSA-N 1 0 342.155 3.383 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741722789 576713603 /nfs/dbraw/zinc/71/36/03/576713603.db2.gz RVXFWQMPNLJNEP-HUUCEWRRSA-N 1 0 331.485 3.368 20 10 EGCDRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000744373097 576826669 /nfs/dbraw/zinc/82/66/69/576826669.db2.gz YBAIZWZYRQRKEP-UHFFFAOYSA-N 1 0 343.471 3.460 20 10 EGCDRO CCc1cnc(C[NH2+]Cc2ccc(Br)cc2O)s1 ZINC000691500142 1298134126 /nfs/dbraw/zinc/13/41/26/1298134126.db2.gz BRKRMZDCFLWQQU-UHFFFAOYSA-N 1 0 327.247 3.463 20 10 EGCDRO Oc1cc(Br)ccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000691498368 1298134364 /nfs/dbraw/zinc/13/43/64/1298134364.db2.gz SRGRSXMCYRIPFT-GJZGRUSLSA-N 1 0 339.277 3.261 20 10 EGCDRO COc1cc(NCc2ccc(C)cc2O)ccc1OCC[NH+](C)C ZINC000877594162 1299421377 /nfs/dbraw/zinc/42/13/77/1299421377.db2.gz NQCSETGWERECLT-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO Cc1ccc(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000827661781 1292352655 /nfs/dbraw/zinc/35/26/55/1292352655.db2.gz 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EGCDRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000151204154 1293913206 /nfs/dbraw/zinc/91/32/06/1293913206.db2.gz GYEWEXSYEWTKBM-IBGZPJMESA-N 1 0 345.531 3.440 20 10 EGCDRO CCc1nncn1CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151510596 1293927812 /nfs/dbraw/zinc/92/78/12/1293927812.db2.gz DIXWSHBYLBXXOS-OAHLLOKOSA-N 1 0 345.466 3.321 20 10 EGCDRO CCC[N@H+](CC)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156822993 1294160071 /nfs/dbraw/zinc/16/00/71/1294160071.db2.gz LFVWQBFVWGMFPI-INIZCTEOSA-N 1 0 337.483 3.045 20 10 EGCDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000156814192 1294160545 /nfs/dbraw/zinc/16/05/45/1294160545.db2.gz BLLHVUPSMOJCRP-RTBURBONSA-N 1 0 345.531 3.438 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)CCCOc2ccccc2)cc1OC ZINC000159794995 1294247487 /nfs/dbraw/zinc/24/74/87/1294247487.db2.gz QMURPAVCEYVLQQ-UHFFFAOYSA-N 1 0 331.412 3.310 20 10 EGCDRO CC[C@H]([NH2+]C[C@@]1(OC)CCOC1)c1cc(Br)ccc1O ZINC000160087073 1294257214 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EGCDRO C[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O)N1CCOCC1 ZINC000185375976 1295260372 /nfs/dbraw/zinc/26/03/72/1295260372.db2.gz BAPLZOZNPVKDBX-HRCADAONSA-N 1 0 328.456 3.305 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)CC2CCCCC2)c1 ZINC000186033133 1295299836 /nfs/dbraw/zinc/29/98/36/1295299836.db2.gz PKARQVUYRFBDAT-AWEZNQCLSA-N 1 0 334.460 3.138 20 10 EGCDRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000186379615 1295322157 /nfs/dbraw/zinc/32/21/57/1295322157.db2.gz BBFZBPSLGDHYDW-UHFFFAOYSA-N 1 0 337.467 3.360 20 10 EGCDRO COc1ccc(O)c([C@@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000186401354 1295323990 /nfs/dbraw/zinc/32/39/90/1295323990.db2.gz HGCDAGPXGAKDOP-OAHLLOKOSA-N 1 0 341.455 3.326 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](CC)CC(N)=O)cc1 ZINC000188064925 1295433504 /nfs/dbraw/zinc/43/35/04/1295433504.db2.gz ICWWINLECJOQMF-UHFFFAOYSA-N 1 0 325.456 3.020 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1O ZINC000190045708 1295558640 /nfs/dbraw/zinc/55/86/40/1295558640.db2.gz QYQATGIICBHXJU-BEFAXECRSA-N 1 0 327.424 3.174 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NCc3cccc(C)c3O)c2)CC1 ZINC000191884973 1295719661 /nfs/dbraw/zinc/71/96/61/1295719661.db2.gz JFLFBHWBOOTHPT-UHFFFAOYSA-N 1 0 325.456 3.455 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CCCOC(C)(C)C)c1O ZINC000850370477 1322235358 /nfs/dbraw/zinc/23/53/58/1322235358.db2.gz PEDNEZGVGCHPLT-UHFFFAOYSA-N 1 0 346.265 3.458 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000194016837 1295933369 /nfs/dbraw/zinc/93/33/69/1295933369.db2.gz CBJWGZCLQMTMDJ-VAMGGRTRSA-N 1 0 342.483 3.211 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000195563357 1296076434 /nfs/dbraw/zinc/07/64/34/1296076434.db2.gz NQDKDLNUJLWSAF-QGZVFWFLSA-N 1 0 346.519 3.206 20 10 EGCDRO COc1cc(CN2CC[NH+](CC(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000216026633 1296119001 /nfs/dbraw/zinc/11/90/01/1296119001.db2.gz DERCXFUPNMFTCM-UHFFFAOYSA-N 1 0 334.504 3.472 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cccc2c1OCO2 ZINC000227438885 1296143739 /nfs/dbraw/zinc/14/37/39/1296143739.db2.gz LSELGSCERDKQEH-UHFFFAOYSA-N 1 0 336.185 3.173 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000870971718 1296161295 /nfs/dbraw/zinc/16/12/95/1296161295.db2.gz GOEGGSRIIXOLIG-CTYIDZIISA-N 1 0 331.847 3.215 20 10 EGCDRO Cc1ccccc1[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)CO1 ZINC000246834259 1296371976 /nfs/dbraw/zinc/37/19/76/1296371976.db2.gz CYZIDIAIPONQEX-VBKZILBWSA-N 1 0 341.407 3.391 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000262048119 1296617114 /nfs/dbraw/zinc/61/71/14/1296617114.db2.gz QRZATMBEDWAWPL-FQEVSTJZSA-N 1 0 325.456 3.213 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1O ZINC000872128973 1296753389 /nfs/dbraw/zinc/75/33/89/1296753389.db2.gz PMMHFZDIXSAHGA-IUODEOHRSA-N 1 0 335.831 3.308 20 10 EGCDRO COc1ccc(C[NH2+]CCc2cccs2)cc1Cn1cccn1 ZINC000873007952 1297219683 /nfs/dbraw/zinc/21/96/83/1297219683.db2.gz KYKOQTSMSATVSF-UHFFFAOYSA-N 1 0 327.453 3.334 20 10 EGCDRO CCCOc1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1C ZINC000873010578 1297221644 /nfs/dbraw/zinc/22/16/44/1297221644.db2.gz LRNJNGCVFFETAC-UHFFFAOYSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](SC)C2)cc1Cn1cccn1 ZINC000873063344 1297254989 /nfs/dbraw/zinc/25/49/89/1297254989.db2.gz QLTJPFOPHJJYTK-SJORKVTESA-N 1 0 331.485 3.314 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1 ZINC000873195220 1297339859 /nfs/dbraw/zinc/33/98/59/1297339859.db2.gz ZJBIVJYYKZDVAY-SFTDATJTSA-N 1 0 340.467 3.125 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH2+]CCCn1cc(Br)cn1 ZINC000382347481 1297558109 /nfs/dbraw/zinc/55/81/09/1297558109.db2.gz FYSLTWUVKYKSLH-UHFFFAOYSA-N 1 0 344.640 3.185 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000382446391 1297558717 /nfs/dbraw/zinc/55/87/17/1297558717.db2.gz BASIOWNRINHSDK-DOTOQJQBSA-N 1 0 346.471 3.405 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000382433103 1297558940 /nfs/dbraw/zinc/55/89/40/1297558940.db2.gz SLAKERBTMZYISY-DOMZBBRYSA-N 1 0 338.423 3.314 20 10 EGCDRO CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388880397 1297605792 /nfs/dbraw/zinc/60/57/92/1297605792.db2.gz QTFWHTMSTJMIEG-IBGZPJMESA-N 1 0 338.455 3.397 20 10 EGCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)cc(C(C)=O)c4O)[C@H]1[C@H]3C2 ZINC000394375470 1297677225 /nfs/dbraw/zinc/67/72/25/1297677225.db2.gz ZOXDVMPSNMZCFX-DOGAXHHXSA-N 1 0 335.831 3.103 20 10 EGCDRO COc1cccc(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)c1O ZINC000406038295 1297766433 /nfs/dbraw/zinc/76/64/33/1297766433.db2.gz RHKMJBWTKUOQET-FQEVSTJZSA-N 1 0 326.440 3.155 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000706846597 1298224613 /nfs/dbraw/zinc/22/46/13/1298224613.db2.gz MZRPFEIBZFMZEF-GFCCVEGCSA-N 1 0 334.213 3.248 20 10 EGCDRO CCC[NH+]1CCC(NCc2c(O)cccc2Br)CC1 ZINC000706875189 1298227423 /nfs/dbraw/zinc/22/74/23/1298227423.db2.gz PWSUIJGJFYFPSC-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)C12CCC2 ZINC000713473768 1298271160 /nfs/dbraw/zinc/27/11/60/1298271160.db2.gz CUTHIUXXMOZZES-ZIAGYGMSSA-N 1 0 326.234 3.202 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000715089222 1298276984 /nfs/dbraw/zinc/27/69/84/1298276984.db2.gz AEBMWGAVSTYRNI-TXEJJXNPSA-N 1 0 340.851 3.439 20 10 EGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Br)CC1(C)OCCO1 ZINC000715908528 1298290945 /nfs/dbraw/zinc/29/09/45/1298290945.db2.gz JTBAZYOATVOTGR-LLVKDONJSA-N 1 0 344.249 3.034 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1CCOCC1 ZINC000746054080 1298518555 /nfs/dbraw/zinc/51/85/55/1298518555.db2.gz MHQQZUHHMUWHLS-AWEZNQCLSA-N 1 0 328.250 3.450 20 10 EGCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000746117972 1298536392 /nfs/dbraw/zinc/53/63/92/1298536392.db2.gz OOEHQPNSKBQUSX-IYBDPMFKSA-N 1 0 329.488 3.116 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(O)c1 ZINC000876559415 1298827950 /nfs/dbraw/zinc/82/79/50/1298827950.db2.gz ZXHZWEZCDLDEPR-QGZVFWFLSA-N 1 0 340.471 3.398 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000876568204 1298835134 /nfs/dbraw/zinc/83/51/34/1298835134.db2.gz GDEIQASQBMMLPD-UHFFFAOYSA-N 1 0 330.472 3.315 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(O)c1 ZINC000876568782 1298835772 /nfs/dbraw/zinc/83/57/72/1298835772.db2.gz LNJFYHMLAXEGSO-UHFFFAOYSA-N 1 0 330.472 3.315 20 10 EGCDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)nc1 ZINC000876598618 1298858234 /nfs/dbraw/zinc/85/82/34/1298858234.db2.gz ZIGDCNDEMZPGEH-INIZCTEOSA-N 1 0 339.439 3.255 20 10 EGCDRO C[N@H+](Cc1cnc(NC(=O)OC(C)(C)C)cn1)Cc1ccccc1O ZINC000876616069 1298869077 /nfs/dbraw/zinc/86/90/77/1298869077.db2.gz RJEVYLKNLXFYCC-UHFFFAOYSA-N 1 0 344.415 3.161 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(O)c1 ZINC000876614385 1298869738 /nfs/dbraw/zinc/86/97/38/1298869738.db2.gz LOWKIEYCBIERBZ-MRXNPFEDSA-N 1 0 330.472 3.171 20 10 EGCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000876622890 1298876944 /nfs/dbraw/zinc/87/69/44/1298876944.db2.gz PVNIDZBYZGIFBA-UHFFFAOYSA-N 1 0 331.485 3.045 20 10 EGCDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000748321485 1298984313 /nfs/dbraw/zinc/98/43/13/1298984313.db2.gz WRSZQLLABBGXDT-UHFFFAOYSA-N 1 0 332.469 3.090 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000748463384 1299016051 /nfs/dbraw/zinc/01/60/51/1299016051.db2.gz PPOROUPSPYKMTI-GOSISDBHSA-N 1 0 341.455 3.275 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c(O)c1 ZINC000876931366 1299072279 /nfs/dbraw/zinc/07/22/79/1299072279.db2.gz MKMXVBZAUPGILS-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000876931645 1299072521 /nfs/dbraw/zinc/07/25/21/1299072521.db2.gz QOXZNDNOGWHEGH-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccc(C)cc2N2CCOCC2)c(O)c1 ZINC000877095036 1299154391 /nfs/dbraw/zinc/15/43/91/1299154391.db2.gz VBLPSDZKSDKSBR-UHFFFAOYSA-N 1 0 326.440 3.135 20 10 EGCDRO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749331852 1299195203 /nfs/dbraw/zinc/19/52/03/1299195203.db2.gz QZEOTJYODFTSPH-UHFFFAOYSA-N 1 0 339.483 3.489 20 10 EGCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877420813 1299288265 /nfs/dbraw/zinc/28/82/65/1299288265.db2.gz FTDPPVKRHDNIKR-LEWJYISDSA-N 1 0 346.515 3.331 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000877503149 1299351636 /nfs/dbraw/zinc/35/16/36/1299351636.db2.gz CLSISZLXQHRBMU-SFHVURJKSA-N 1 0 338.451 3.024 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c(O)c1 ZINC000877543226 1299383984 /nfs/dbraw/zinc/38/39/84/1299383984.db2.gz AGMIVPSEEUMDDK-HNNXBMFYSA-N 1 0 339.439 3.471 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c1O ZINC000750819857 1299457748 /nfs/dbraw/zinc/45/77/48/1299457748.db2.gz TUCXXFDQDAYBJD-CQSZACIVSA-N 1 0 343.402 3.212 20 10 EGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000752796730 1299796223 /nfs/dbraw/zinc/79/62/23/1299796223.db2.gz KFMDPTWSGPREDD-HNNXBMFYSA-N 1 0 342.439 3.496 20 10 EGCDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753553610 1299972233 /nfs/dbraw/zinc/97/22/33/1299972233.db2.gz YOOLBELOIRKSAG-INIZCTEOSA-N 1 0 349.434 3.482 20 10 EGCDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753572794 1299976770 /nfs/dbraw/zinc/97/67/70/1299976770.db2.gz YLKQIMKOXVLQLF-QGZVFWFLSA-N 1 0 340.467 3.403 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000754737843 1300205981 /nfs/dbraw/zinc/20/59/81/1300205981.db2.gz VOEPJCRQGIULGH-MRXNPFEDSA-N 1 0 334.460 3.450 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(Br)cc1O ZINC000756382128 1300480946 /nfs/dbraw/zinc/48/09/46/1300480946.db2.gz RCPXHKBSKBQNJX-ZANVPECISA-N 1 0 326.190 3.132 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cccn2)c2c1c(F)ccc2O ZINC000756393311 1300483495 /nfs/dbraw/zinc/48/34/95/1300483495.db2.gz NDKVOLBUOJZJDN-IUODEOHRSA-N 1 0 338.386 3.450 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2-c2ccccc2)c2c1c(F)ccc2O ZINC000756400697 1300484805 /nfs/dbraw/zinc/48/48/05/1300484805.db2.gz DMCXATQOSKZCJW-IUODEOHRSA-N 1 0 338.386 3.450 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)c2c1c(F)ccc2O ZINC000756453725 1300495006 /nfs/dbraw/zinc/49/50/06/1300495006.db2.gz HXVGWYLWCPITDU-AXAPSJFSSA-N 1 0 349.377 3.248 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c2c1c(F)ccc2O ZINC000756474262 1300499998 /nfs/dbraw/zinc/49/99/98/1300499998.db2.gz HWXQSHKKVWAZFS-WWGRRREGSA-N 1 0 340.398 3.475 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)c2c1c(F)ccc2O ZINC000756477354 1300500688 /nfs/dbraw/zinc/50/06/88/1300500688.db2.gz AHRYLMOYGSNTNG-YPMHNXCESA-N 1 0 329.375 3.093 20 10 EGCDRO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cc2c(cc1O)CCCC2 ZINC000756553532 1300519620 /nfs/dbraw/zinc/51/96/20/1300519620.db2.gz GRXXNEZURJLJDJ-OAHLLOKOSA-N 1 0 330.472 3.324 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000756658469 1300542600 /nfs/dbraw/zinc/54/26/00/1300542600.db2.gz JTEREZXCSSDXNE-SNVBAGLBSA-N 1 0 329.322 3.010 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c2c1c(F)ccc2O ZINC000756657703 1300542707 /nfs/dbraw/zinc/54/27/07/1300542707.db2.gz FNCLJGPCXQXDHH-SIXLDLHFSA-N 1 0 348.462 3.313 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756737231 1300556434 /nfs/dbraw/zinc/55/64/34/1300556434.db2.gz LKIGJOJDJAYZQE-OCCSQVGLSA-N 1 0 346.402 3.391 20 10 EGCDRO CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648442 1300647865 /nfs/dbraw/zinc/64/78/65/1300647865.db2.gz PFYAODMXWFLTBX-OAHLLOKOSA-N 1 0 342.439 3.148 20 10 EGCDRO OC[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@H]1c1ccc(F)cc1 ZINC000758527173 1300903466 /nfs/dbraw/zinc/90/34/66/1300903466.db2.gz GXWKDLWNECUJON-AZUAARDMSA-N 1 0 327.399 3.016 20 10 EGCDRO CCOc1ccc(O)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000761222956 1301424297 /nfs/dbraw/zinc/42/42/97/1301424297.db2.gz YWWWZNSYQFEGFS-UHFFFAOYSA-N 1 0 344.455 3.368 20 10 EGCDRO Cc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)nc1 ZINC000761784368 1301540517 /nfs/dbraw/zinc/54/05/17/1301540517.db2.gz AUOPGHLURUFHLK-RIYZIHGNSA-N 1 0 349.525 3.179 20 10 EGCDRO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000762123227 1301617545 /nfs/dbraw/zinc/61/75/45/1301617545.db2.gz XALNHKQQQODYFC-MRXNPFEDSA-N 1 0 337.778 3.243 20 10 EGCDRO CCCN(CC[NH+](CC)CC)Cc1ccc(N2CCOCC2)cc1 ZINC000764677080 1302115702 /nfs/dbraw/zinc/11/57/02/1302115702.db2.gz GRQWBPCDJKNQFA-UHFFFAOYSA-N 1 0 333.520 3.077 20 10 EGCDRO C[N@H+](CCCC[NH2+]Cc1cc(Br)cc(F)c1[O-])C1CC1 ZINC000883140365 1302268045 /nfs/dbraw/zinc/26/80/45/1302268045.db2.gz RDGZGKMISSXIPZ-UHFFFAOYSA-N 1 0 345.256 3.258 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c(O)c1 ZINC000765639712 1302293997 /nfs/dbraw/zinc/29/39/97/1302293997.db2.gz VKAHPGDXNFOXDK-GAJHUEQPSA-N 1 0 333.453 3.000 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000766005928 1302367703 /nfs/dbraw/zinc/36/77/03/1302367703.db2.gz SULRSFGFYIEMOE-IXDOHACOSA-N 1 0 331.504 3.362 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN[C@H]3CCCc4scnc43)cc2)CC1 ZINC000883290762 1302369488 /nfs/dbraw/zinc/36/94/88/1302369488.db2.gz GCXRUWGXKOOBSE-KRWDZBQOSA-N 1 0 342.512 3.062 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1C(C)C ZINC000766666700 1302498264 /nfs/dbraw/zinc/49/82/64/1302498264.db2.gz FETIPXCAMOWAGR-INIZCTEOSA-N 1 0 339.501 3.223 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000767712295 1302749360 /nfs/dbraw/zinc/74/93/60/1302749360.db2.gz PPJWIZZLJJGXGE-ZDUSSCGKSA-N 1 0 339.357 3.059 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](CC)C[C@H]2COc3ccccc3O2)c1 ZINC000768182301 1302847882 /nfs/dbraw/zinc/84/78/82/1302847882.db2.gz YRTCLZJXGXVQOU-KRWDZBQOSA-N 1 0 343.423 3.453 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000768251105 1302864758 /nfs/dbraw/zinc/86/47/58/1302864758.db2.gz ZKYNEYZQYDRTQF-UHFFFAOYSA-N 1 0 342.414 3.234 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](CCc1ccccc1)C1CC1)[C@@H](O)CO2 ZINC000768438946 1302900874 /nfs/dbraw/zinc/90/08/74/1302900874.db2.gz BXDWSZYNTAXURX-IBGZPJMESA-N 1 0 325.408 3.025 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(Cc3ccccc3)CC1)[C@@H](O)CO2 ZINC000768438028 1302901299 /nfs/dbraw/zinc/90/12/99/1302901299.db2.gz OKPOMIZLKUHORN-FQEVSTJZSA-N 1 0 339.435 3.273 20 10 EGCDRO CC(C)[N@H+](Cc1cccc(F)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442167 1302902767 /nfs/dbraw/zinc/90/27/67/1302902767.db2.gz JYRKBISYMMMBME-SFHVURJKSA-N 1 0 331.387 3.368 20 10 EGCDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768441491 1302904365 /nfs/dbraw/zinc/90/43/65/1302904365.db2.gz MGYAPCGXTWNRTH-HKUYNNGSSA-N 1 0 325.408 3.464 20 10 EGCDRO CCC[N@H+](CCc1cccc(F)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445741 1302907337 /nfs/dbraw/zinc/90/73/37/1302907337.db2.gz HGUGNCTWRQCYMW-LJQANCHMSA-N 1 0 345.414 3.412 20 10 EGCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(OC)c(C)cc1O ZINC000768452726 1302909536 /nfs/dbraw/zinc/90/95/36/1302909536.db2.gz RUNMXLZJXTXNDN-UHFFFAOYSA-N 1 0 330.428 3.143 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)cc1OC ZINC000768448633 1302909760 /nfs/dbraw/zinc/90/97/60/1302909760.db2.gz UHMCKJFLHOGDHO-KRWDZBQOSA-N 1 0 343.423 3.453 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3cccc(F)c3)CC1)[C@H](O)CO2 ZINC000768463679 1302912010 /nfs/dbraw/zinc/91/20/10/1302912010.db2.gz LEFBZLDPWFEEHQ-LJQANCHMSA-N 1 0 343.398 3.337 20 10 EGCDRO C[N@H+](Cc1cc2ccccc2o1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465737 1302912506 /nfs/dbraw/zinc/91/25/06/1302912506.db2.gz JRWZENFVDZOYDT-KRWDZBQOSA-N 1 0 325.364 3.196 20 10 EGCDRO COc1cccc(O)c1CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000768866276 1303001471 /nfs/dbraw/zinc/00/14/71/1303001471.db2.gz PWBPAYRRWQXAEB-GOSISDBHSA-N 1 0 340.467 3.497 20 10 EGCDRO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000768874007 1303002974 /nfs/dbraw/zinc/00/29/74/1303002974.db2.gz XQUSXHSOMJFYFJ-UHFFFAOYSA-N 1 0 337.379 3.143 20 10 EGCDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(Br)ccc1O ZINC000769498611 1303126589 /nfs/dbraw/zinc/12/65/89/1303126589.db2.gz MYYLSDHIGGGEJD-UHFFFAOYSA-N 1 0 344.249 3.318 20 10 EGCDRO CCOc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000769505373 1303130141 /nfs/dbraw/zinc/13/01/41/1303130141.db2.gz JUXZDVPDTBRMLP-HSZRJFAPSA-N 1 0 333.453 3.160 20 10 EGCDRO C[N@H+](CCc1cnccn1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000770662742 1303301233 /nfs/dbraw/zinc/30/12/33/1303301233.db2.gz YNHXBRDKEGJAOK-UHFFFAOYSA-N 1 0 337.423 3.482 20 10 EGCDRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000771382063 1303396766 /nfs/dbraw/zinc/39/67/66/1303396766.db2.gz IKZVLZYEUMUGPG-LBPRGKRZSA-N 1 0 332.469 3.426 20 10 EGCDRO C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1c(O)cccc1F ZINC000886578259 1303509445 /nfs/dbraw/zinc/50/94/45/1303509445.db2.gz PPYHLLKACYZXDW-HIFRSBDPSA-N 1 0 344.434 3.240 20 10 EGCDRO C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1c([O-])cccc1F ZINC000886636707 1303534256 /nfs/dbraw/zinc/53/42/56/1303534256.db2.gz SPRLPGWHIWLLCA-OAHLLOKOSA-N 1 0 343.446 3.489 20 10 EGCDRO C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746988 1303582288 /nfs/dbraw/zinc/58/22/88/1303582288.db2.gz IFKWDUXVDXBFDF-INIZCTEOSA-N 1 0 343.515 3.447 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000886748944 1303583646 /nfs/dbraw/zinc/58/36/46/1303583646.db2.gz DLQLREVERXKSRY-IBGZPJMESA-N 1 0 329.488 3.057 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000772985273 1303601411 /nfs/dbraw/zinc/60/14/11/1303601411.db2.gz VRIOUMYVSOFNSA-CHWSQXEVSA-N 1 0 338.448 3.182 20 10 EGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C2 ZINC000773140766 1303632191 /nfs/dbraw/zinc/63/21/91/1303632191.db2.gz WDSIWYGFABDNAU-RHSMWYFYSA-N 1 0 326.440 3.416 20 10 EGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000773140774 1303632480 /nfs/dbraw/zinc/63/24/80/1303632480.db2.gz WDSIWYGFABDNAU-YOEHRIQHSA-N 1 0 326.440 3.416 20 10 EGCDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCCCC1 ZINC000773366695 1303668703 /nfs/dbraw/zinc/66/87/03/1303668703.db2.gz CYORKOXUQUEBFI-IRXDYDNUSA-N 1 0 346.519 3.235 20 10 EGCDRO C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000773615332 1303714743 /nfs/dbraw/zinc/71/47/43/1303714743.db2.gz CYPIADBPYSBIGB-INIZCTEOSA-N 1 0 346.519 3.235 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000773774166 1303738697 /nfs/dbraw/zinc/73/86/97/1303738697.db2.gz REKIUKNVSUWBLM-UHFFFAOYSA-N 1 0 339.483 3.166 20 10 EGCDRO CCN(C)c1ccc(CN2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1 ZINC000773836103 1303743853 /nfs/dbraw/zinc/74/38/53/1303743853.db2.gz DKHYGUZAHWTVMQ-MOPGFXCFSA-N 1 0 333.545 3.154 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000773887932 1303751832 /nfs/dbraw/zinc/75/18/32/1303751832.db2.gz JTMYTCHWJSAXCN-GOEBONIOSA-N 1 0 330.394 3.278 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000774881268 1303871361 /nfs/dbraw/zinc/87/13/61/1303871361.db2.gz QXUIKXQQJRWOIF-GFCCVEGCSA-N 1 0 346.358 3.438 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC)c1 ZINC000775376024 1303949116 /nfs/dbraw/zinc/94/91/16/1303949116.db2.gz RCWGWXYXPKWNEV-QWHCGFSZSA-N 1 0 344.411 3.087 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775835597 1304047537 /nfs/dbraw/zinc/04/75/37/1304047537.db2.gz VJCSBQOXBADQAQ-SCLBCKFNSA-N 1 0 329.400 3.045 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775838383 1304047693 /nfs/dbraw/zinc/04/76/93/1304047693.db2.gz XYGQVIHZMFPLLQ-PASDCYSWSA-N 1 0 331.504 3.344 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775837034 1304047970 /nfs/dbraw/zinc/04/79/70/1304047970.db2.gz QPPDZADUUCUWHT-CVEARBPZSA-N 1 0 337.467 3.381 20 10 EGCDRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)c(C)n1-c1ccccc1C ZINC000775888079 1304056694 /nfs/dbraw/zinc/05/66/94/1304056694.db2.gz VSROWKWQGAKDAB-UHFFFAOYSA-N 1 0 337.467 3.394 20 10 EGCDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000776103909 1304097472 /nfs/dbraw/zinc/09/74/72/1304097472.db2.gz ZZOHNMYBLAELSG-IRXDYDNUSA-N 1 0 346.519 3.377 20 10 EGCDRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000776133924 1304101500 /nfs/dbraw/zinc/10/15/00/1304101500.db2.gz BOVNAXFWFWWGQP-LPHOPBHVSA-N 1 0 346.519 3.233 20 10 EGCDRO CCCCn1cc(C[NH2+]Cc2cc(OC)c(OC)cc2O)c(C)n1 ZINC000776256921 1304122484 /nfs/dbraw/zinc/12/24/84/1304122484.db2.gz SPELEGVNFAVEEV-UHFFFAOYSA-N 1 0 333.432 3.004 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)cc1C ZINC000776939798 1304221279 /nfs/dbraw/zinc/22/12/79/1304221279.db2.gz TWRIVYWXPPCBEW-INIZCTEOSA-N 1 0 346.858 3.091 20 10 EGCDRO C[C@@H]([NH2+]CCCn1cncn1)c1ccc(N2CCCCCC2)cc1 ZINC000776974044 1304225265 /nfs/dbraw/zinc/22/52/65/1304225265.db2.gz JEOKJPQCLGMPRO-QGZVFWFLSA-N 1 0 327.476 3.399 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1O ZINC000779040579 1304521521 /nfs/dbraw/zinc/52/15/21/1304521521.db2.gz YVTCCGZQRBMHGH-DRZSPHRISA-N 1 0 328.250 3.417 20 10 EGCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2C1 ZINC000779047137 1304523174 /nfs/dbraw/zinc/52/31/74/1304523174.db2.gz WBXDEPIUSRHZJW-FQEVSTJZSA-N 1 0 336.435 3.205 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000779063230 1304524621 /nfs/dbraw/zinc/52/46/21/1304524621.db2.gz CWJKRJDDIAFHGN-BIMULSAOSA-N 1 0 328.250 3.273 20 10 EGCDRO C[C@@H](CCCCO)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000779074509 1304526845 /nfs/dbraw/zinc/52/68/45/1304526845.db2.gz QVQWQPOIIZAFID-GJZGRUSLSA-N 1 0 342.430 3.398 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)ccc1N1CCOCC1 ZINC000779189812 1304540785 /nfs/dbraw/zinc/54/07/85/1304540785.db2.gz BDYHCYKKQJUVFV-SFHVURJKSA-N 1 0 348.462 3.053 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c1 ZINC000779597307 1304585363 /nfs/dbraw/zinc/58/53/63/1304585363.db2.gz RARHQGFIABTQIE-UHFFFAOYSA-N 1 0 338.448 3.090 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1)[C@H](O)CO2 ZINC000779890383 1304619843 /nfs/dbraw/zinc/61/98/43/1304619843.db2.gz VZUMGZUGXKDMPT-DBHZWCICSA-N 1 0 337.419 3.496 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC=CO2)ccc1N1CCCCC1 ZINC000780565585 1304709802 /nfs/dbraw/zinc/70/98/02/1304709802.db2.gz BSFHTDQLMHZBNM-INIZCTEOSA-N 1 0 331.416 3.367 20 10 EGCDRO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000780714091 1304728642 /nfs/dbraw/zinc/72/86/42/1304728642.db2.gz MPUZHAGVSKIOHZ-OAHLLOKOSA-N 1 0 343.446 3.471 20 10 EGCDRO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000780719418 1304729390 /nfs/dbraw/zinc/72/93/90/1304729390.db2.gz UZADZTNTOUPLQE-MRXNPFEDSA-N 1 0 325.456 3.331 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000780747036 1304734289 /nfs/dbraw/zinc/73/42/89/1304734289.db2.gz UXDNLZZYKJPXIQ-ZOBUZTSGSA-N 1 0 336.451 3.128 20 10 EGCDRO c1csc(SCCC[NH2+]C2CCN(c3nccs3)CC2)n1 ZINC000781515586 1304838594 /nfs/dbraw/zinc/83/85/94/1304838594.db2.gz CWPRYVJMDSKSJV-UHFFFAOYSA-N 1 0 340.543 3.340 20 10 EGCDRO CCCc1[nH]ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250718 1305000550 /nfs/dbraw/zinc/00/05/50/1305000550.db2.gz ZHMHIRKBDGOGLF-LJQANCHMSA-N 1 0 342.487 3.066 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cnn(C2CCC2)c1)C[C@@H]1CCCO1 ZINC000891468710 1305058648 /nfs/dbraw/zinc/05/86/48/1305058648.db2.gz WFNJDSHVZFSFMD-IBGZPJMESA-N 1 0 341.455 3.495 20 10 EGCDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)/C=C/c1cnn(C)c1 ZINC000891569983 1305093909 /nfs/dbraw/zinc/09/39/09/1305093909.db2.gz VMSUNLVIBJIERS-SXSDINLZSA-N 1 0 340.471 3.033 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1O ZINC000783513239 1305100971 /nfs/dbraw/zinc/10/09/71/1305100971.db2.gz JSELGCAXXXBILT-FIKGOQFSSA-N 1 0 340.467 3.332 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1O ZINC000783517710 1305101729 /nfs/dbraw/zinc/10/17/29/1305101729.db2.gz IAAOHMFHHCENIP-VQIMIIECSA-N 1 0 338.451 3.277 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cn(C)nc3C3CC3)CC2)cc1 ZINC000891775310 1305162045 /nfs/dbraw/zinc/16/20/45/1305162045.db2.gz LULFKAVLYHKEMA-UHFFFAOYSA-N 1 0 340.471 3.018 20 10 EGCDRO COc1ccc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c(O)c1OC ZINC000891783934 1305163614 /nfs/dbraw/zinc/16/36/14/1305163614.db2.gz PMSPFDSNCWTKCT-GOSISDBHSA-N 1 0 343.423 3.155 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c(O)cc1C ZINC000784014579 1305176680 /nfs/dbraw/zinc/17/66/80/1305176680.db2.gz MNJQEYLQARMUPM-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3cc(Cl)ccc3O)CC2)n[nH]1 ZINC000784057277 1305183654 /nfs/dbraw/zinc/18/36/54/1305183654.db2.gz YQLZWCMTSPBOFM-GFCCVEGCSA-N 1 0 334.851 3.397 20 10 EGCDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000784640239 1305268054 /nfs/dbraw/zinc/26/80/54/1305268054.db2.gz NATXIVIDBIDPCF-KSSFIOAISA-N 1 0 333.432 3.242 20 10 EGCDRO COc1ccc(C[NH2+]CCOc2ccc(Cl)cc2)c(O)c1OC ZINC000892418462 1305363102 /nfs/dbraw/zinc/36/31/02/1305363102.db2.gz QFUFXFVTRMLKIL-UHFFFAOYSA-N 1 0 337.803 3.231 20 10 EGCDRO COc1ccc(C[NH2+]CCCOc2cccc(C)c2)c(O)c1OC ZINC000892469018 1305389106 /nfs/dbraw/zinc/38/91/06/1305389106.db2.gz BMYLNVPWOWBILU-UHFFFAOYSA-N 1 0 331.412 3.277 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1C ZINC000786820293 1305635242 /nfs/dbraw/zinc/63/52/42/1305635242.db2.gz DMVQPKXTSVGERU-HNNXBMFYSA-N 1 0 339.439 3.384 20 10 EGCDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893069875 1305689886 /nfs/dbraw/zinc/68/98/86/1305689886.db2.gz SNRYLINJPRXFJE-OAHLLOKOSA-N 1 0 345.395 3.031 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c(O)c1OC ZINC000893112522 1305713677 /nfs/dbraw/zinc/71/36/77/1305713677.db2.gz FJCAQCNBYNUOME-HNNXBMFYSA-N 1 0 335.444 3.381 20 10 EGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000787292741 1305727579 /nfs/dbraw/zinc/72/75/79/1305727579.db2.gz KGIOVPLPQOLBPV-UHFFFAOYSA-N 1 0 337.782 3.018 20 10 EGCDRO CCOC(CC[NH2+]Cc1cc(Br)cc(C)c1O)OCC ZINC000787432537 1305745402 /nfs/dbraw/zinc/74/54/02/1305745402.db2.gz IRMKJVVQXINFNG-UHFFFAOYSA-N 1 0 346.265 3.342 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(O)c1OC ZINC000893531590 1305953893 /nfs/dbraw/zinc/95/38/93/1305953893.db2.gz MFVYESAUKMNCBF-MRXNPFEDSA-N 1 0 347.386 3.202 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000788563860 1305971513 /nfs/dbraw/zinc/97/15/13/1305971513.db2.gz ODXINWGRUHUFHK-GJZGRUSLSA-N 1 0 327.428 3.036 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000788563862 1305971760 /nfs/dbraw/zinc/97/17/60/1305971760.db2.gz ODXINWGRUHUFHK-HUUCEWRRSA-N 1 0 327.428 3.036 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000788604528 1305980458 /nfs/dbraw/zinc/98/04/58/1305980458.db2.gz CERGMGYCFWGTNI-QMTHXVAHSA-N 1 0 329.375 3.223 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000893620114 1305990013 /nfs/dbraw/zinc/99/00/13/1305990013.db2.gz GDVODMNHURDQOM-FUHWJXTLSA-N 1 0 343.423 3.419 20 10 EGCDRO COCCC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCCCC1 ZINC000893684424 1306026578 /nfs/dbraw/zinc/02/65/78/1306026578.db2.gz AHFOPPCWCFSSBH-UHFFFAOYSA-N 1 0 337.460 3.486 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c(O)c1OC ZINC000893989568 1306166289 /nfs/dbraw/zinc/16/62/89/1306166289.db2.gz ZGIIDXIWMVFFRC-HNNXBMFYSA-N 1 0 335.444 3.381 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NCc3c(O)cccc3OC)c2)CC1 ZINC000789551768 1306183976 /nfs/dbraw/zinc/18/39/76/1306183976.db2.gz OBPUGDGUWGHFDU-UHFFFAOYSA-N 1 0 341.455 3.155 20 10 EGCDRO COc1ccc(C[NH+](C)C)cc1NCc1cc(C)cc(OC)c1O ZINC000894120525 1306229906 /nfs/dbraw/zinc/22/99/06/1306229906.db2.gz NGLMJUYPCNFXGI-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c1O ZINC000894172669 1306260660 /nfs/dbraw/zinc/26/06/60/1306260660.db2.gz JEHQRPHRNYCULA-MRXNPFEDSA-N 1 0 326.440 3.325 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000790544674 1306349199 /nfs/dbraw/zinc/34/91/99/1306349199.db2.gz YGVPUCWZZXKGGL-GOSISDBHSA-N 1 0 346.519 3.014 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)c1O ZINC000894363181 1306361687 /nfs/dbraw/zinc/36/16/87/1306361687.db2.gz ASQYLDVPDRHHJU-QGZVFWFLSA-N 1 0 340.423 3.297 20 10 EGCDRO CC[N@H+](CCC1CCN(C(=O)c2cccc(O)c2O)CC1)CC1CC1 ZINC000790911611 1308885420 /nfs/dbraw/zinc/88/54/20/1308885420.db2.gz ILZPGYVAGMDKNW-UHFFFAOYSA-N 1 0 346.471 3.072 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c1O ZINC000790928082 1308889877 /nfs/dbraw/zinc/88/98/77/1308889877.db2.gz QOKDGJDFAKPPJB-OAHLLOKOSA-N 1 0 326.868 3.264 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000790930579 1308889930 /nfs/dbraw/zinc/88/99/30/1308889930.db2.gz ALBKWGYWVGZTGN-ZWOKBUDYSA-N 1 0 332.488 3.301 20 10 EGCDRO CCn1c(C[NH2+]Cc2cc(C)cc(OC)c2O)nc2ccccc21 ZINC000894460675 1308901359 /nfs/dbraw/zinc/90/13/59/1308901359.db2.gz WOIJHLKYNKTTEK-UHFFFAOYSA-N 1 0 325.412 3.369 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000894938781 1309130599 /nfs/dbraw/zinc/13/05/99/1309130599.db2.gz COJQTYMUOCTDQC-HNNXBMFYSA-N 1 0 326.488 3.393 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)cc1F ZINC000895006734 1309154682 /nfs/dbraw/zinc/15/46/82/1309154682.db2.gz CMGRUKKKQYBOPX-HNNXBMFYSA-N 1 0 331.439 3.088 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(O)c(F)c3)C2)cc1 ZINC000895007224 1309155408 /nfs/dbraw/zinc/15/54/08/1309155408.db2.gz ZNCNTSPTEVKMOW-OAHLLOKOSA-N 1 0 330.403 3.156 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000792877661 1309250226 /nfs/dbraw/zinc/25/02/26/1309250226.db2.gz VKTYADUVKRZAEH-JTQLQIEISA-N 1 0 347.327 3.068 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1C ZINC000793167592 1309309050 /nfs/dbraw/zinc/30/90/50/1309309050.db2.gz GFGZDXUWGRPKOM-RISCZKNCSA-N 1 0 344.377 3.155 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1OC ZINC000895450201 1309343374 /nfs/dbraw/zinc/34/33/74/1309343374.db2.gz CPYIUBXJHPZHIH-MRXNPFEDSA-N 1 0 329.396 3.063 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000793322027 1309346243 /nfs/dbraw/zinc/34/62/43/1309346243.db2.gz GWHVRLDOSHHFRT-UHFFFAOYSA-N 1 0 341.451 3.279 20 10 EGCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(C)ccc3O)C2)cc1F ZINC000895502328 1309377246 /nfs/dbraw/zinc/37/72/46/1309377246.db2.gz BCUIPVRVPCPDHB-OAHLLOKOSA-N 1 0 344.386 3.131 20 10 EGCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)n(C)n1 ZINC000793520709 1309392456 /nfs/dbraw/zinc/39/24/56/1309392456.db2.gz HXOGJPJBKWHHQP-HNNXBMFYSA-N 1 0 330.501 3.133 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c(O)c1 ZINC000793602042 1309414509 /nfs/dbraw/zinc/41/45/09/1309414509.db2.gz RYRDGOAEUXSMAA-CYBMUJFWSA-N 1 0 338.448 3.184 20 10 EGCDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000793606339 1309415518 /nfs/dbraw/zinc/41/55/18/1309415518.db2.gz SGKPYRGFSGWJBQ-ZDUSSCGKSA-N 1 0 339.455 3.285 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(Br)n2)c1 ZINC000794460622 1309531107 /nfs/dbraw/zinc/53/11/07/1309531107.db2.gz GGHVUNHGAFENKR-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(C)cc1O ZINC000794811309 1309599828 /nfs/dbraw/zinc/59/98/28/1309599828.db2.gz WTRRIIFALZVDNS-IEBWSBKVSA-N 1 0 332.488 3.385 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1C(C)C ZINC000795688523 1309808516 /nfs/dbraw/zinc/80/85/16/1309808516.db2.gz FZJKNWNOGMRXLW-SJLPKXTDSA-N 1 0 332.488 3.119 20 10 EGCDRO CC[C@@H](C)CCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000796231888 1309940989 /nfs/dbraw/zinc/94/09/89/1309940989.db2.gz MAJCUTDUWBLVHD-MRXNPFEDSA-N 1 0 349.494 3.410 20 10 EGCDRO Cc1cc(C(=O)N(C)CCC[NH+]2CCCC2)c(C)n1-c1ccccn1 ZINC000799026220 1310471028 /nfs/dbraw/zinc/47/10/28/1310471028.db2.gz OEAFZJAYLIJLSS-UHFFFAOYSA-N 1 0 340.471 3.047 20 10 EGCDRO Cn1cnc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)c1 ZINC000898043595 1310561547 /nfs/dbraw/zinc/56/15/47/1310561547.db2.gz UVZPTNFRMRQKHA-UHFFFAOYSA-N 1 0 332.451 3.273 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2c(C)nc3ccccn32)ccc1OC ZINC000898275775 1310657969 /nfs/dbraw/zinc/65/79/69/1310657969.db2.gz CKJHHKZFENLGCV-UHFFFAOYSA-N 1 0 339.439 3.478 20 10 EGCDRO O=c1ccccn1C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000800313047 1310731585 /nfs/dbraw/zinc/73/15/85/1310731585.db2.gz AYOUELGFRZULIK-HXUWFJFHSA-N 1 0 346.430 3.314 20 10 EGCDRO CSc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898446805 1310739530 /nfs/dbraw/zinc/73/95/30/1310739530.db2.gz BQGRUPKHDOOEFZ-KRWDZBQOSA-N 1 0 333.501 3.460 20 10 EGCDRO CCCC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824515195 1320262194 /nfs/dbraw/zinc/26/21/94/1320262194.db2.gz LJFHTARQOTWUAD-CQSZACIVSA-N 1 0 345.892 3.143 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]Cc2cnccc2C)c1O ZINC000824909155 1320294826 /nfs/dbraw/zinc/29/48/26/1320294826.db2.gz KAVLNMMRJQCTIL-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000825390162 1320333841 /nfs/dbraw/zinc/33/38/41/1320333841.db2.gz BQBURPMTYKFZBC-AWEZNQCLSA-N 1 0 330.266 3.287 20 10 EGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000825390163 1320334113 /nfs/dbraw/zinc/33/41/13/1320334113.db2.gz BQBURPMTYKFZBC-CQSZACIVSA-N 1 0 330.266 3.287 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C)c(C)n3)CC2)cc1 ZINC000839164351 1320882656 /nfs/dbraw/zinc/88/26/56/1320882656.db2.gz POSVGOABTMVLGW-UHFFFAOYSA-N 1 0 325.456 3.466 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000802644902 1317020776 /nfs/dbraw/zinc/02/07/76/1317020776.db2.gz OXNUJMGDHQPYLA-QGZVFWFLSA-N 1 0 344.480 3.484 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](c2cccs2)N(C)C)cc1F ZINC000858087089 1328678646 /nfs/dbraw/zinc/67/86/46/1328678646.db2.gz JGHVOGZWOOTSGT-INIZCTEOSA-N 1 0 339.455 3.485 20 10 EGCDRO CCOC(CCC[NH2+]Cc1c(O)cccc1Br)OCC ZINC000858088168 1328679582 /nfs/dbraw/zinc/67/95/82/1328679582.db2.gz SMBMDIQQXALHNB-UHFFFAOYSA-N 1 0 346.265 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)c3ccco3)C2)cc1C ZINC001019372029 1317199920 /nfs/dbraw/zinc/19/99/20/1317199920.db2.gz PVRFRIGBUAXGJM-RDJZCZTQSA-N 1 0 342.439 3.091 20 10 EGCDRO Cc1cc(CC(=O)N[C@@H](C)C[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000805424821 1317361816 /nfs/dbraw/zinc/36/18/16/1317361816.db2.gz CSERNIIEFWASSU-ZDUSSCGKSA-N 1 0 347.890 3.356 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1F ZINC000858151167 1328697367 /nfs/dbraw/zinc/69/73/67/1328697367.db2.gz WEITVMSSCUJJPC-SUMWQHHRSA-N 1 0 342.455 3.175 20 10 EGCDRO C[C@H](CCO)C1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCC1 ZINC000858156403 1328698064 /nfs/dbraw/zinc/69/80/64/1328698064.db2.gz VRDWBJNUVPXEIZ-CYBMUJFWSA-N 1 0 326.431 3.309 20 10 EGCDRO CC1(C)C[C@@H](C[NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858175458 1328703240 /nfs/dbraw/zinc/70/32/40/1328703240.db2.gz PGJXBQKRMIIENP-NSHDSACASA-N 1 0 328.250 3.450 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000806663202 1317517473 /nfs/dbraw/zinc/51/74/73/1317517473.db2.gz UGSLSBYIUVETFL-KBPBESRZSA-N 1 0 344.908 3.296 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CC2CCN(CC(F)F)CC2)cc1F ZINC000858196089 1328709360 /nfs/dbraw/zinc/70/93/60/1328709360.db2.gz IWUDDXDHOWRQFX-UHFFFAOYSA-N 1 0 347.400 3.098 20 10 EGCDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000902761845 1317613422 /nfs/dbraw/zinc/61/34/22/1317613422.db2.gz ATKZPFJEROGWIE-FPOVZHCZSA-N 1 0 346.515 3.333 20 10 EGCDRO CCc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)o1 ZINC001020303306 1317637227 /nfs/dbraw/zinc/63/72/27/1317637227.db2.gz RHKBYOFWUNXAKV-WKILWMFISA-N 1 0 342.439 3.210 20 10 EGCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808193516 1317643173 /nfs/dbraw/zinc/64/31/73/1317643173.db2.gz WTKJOYDUFHYBLR-YOEHRIQHSA-N 1 0 332.488 3.454 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 ZINC000808421791 1317674128 /nfs/dbraw/zinc/67/41/28/1317674128.db2.gz AXFYLRNPAIBVCM-CQSZACIVSA-N 1 0 344.377 3.124 20 10 EGCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(CO)c1 ZINC000903448822 1317702241 /nfs/dbraw/zinc/70/22/41/1317702241.db2.gz UBFJKFBRGGXKFR-HRAATJIYSA-N 1 0 341.499 3.198 20 10 EGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000808729895 1317724147 /nfs/dbraw/zinc/72/41/47/1317724147.db2.gz ADFYZEYKFJOHSD-NVMYHKGLSA-N 1 0 339.435 3.416 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1OC ZINC000809655674 1317857494 /nfs/dbraw/zinc/85/74/94/1317857494.db2.gz OJVBHNDVLNSRGE-IBGZPJMESA-N 1 0 345.439 3.259 20 10 EGCDRO Cc1nc2ccccn2c1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713694 1317873359 /nfs/dbraw/zinc/87/33/59/1317873359.db2.gz XYAWBXARMFPAJW-UHFFFAOYSA-N 1 0 346.228 3.401 20 10 EGCDRO CCOc1cccc(CN(CC[NH+](C)C)Cc2ccccc2)c1O ZINC000809728377 1317880622 /nfs/dbraw/zinc/88/06/22/1317880622.db2.gz VCDVUZPBSBVPPD-UHFFFAOYSA-N 1 0 328.456 3.355 20 10 EGCDRO COc1ccc(O)c(CN(CC[NH+](C)C)Cc2cccc(C)c2)c1 ZINC000809740767 1317886143 /nfs/dbraw/zinc/88/61/43/1317886143.db2.gz DEXQPNZCCGIAGB-UHFFFAOYSA-N 1 0 328.456 3.273 20 10 EGCDRO C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Br)c2[O-])C1 ZINC000809767940 1317895638 /nfs/dbraw/zinc/89/56/38/1317895638.db2.gz YMERPCAUQJPQOP-WFASDCNBSA-N 1 0 339.277 3.071 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810208889 1317976467 /nfs/dbraw/zinc/97/64/67/1317976467.db2.gz HIPXMWWEZDORAH-DOMZBBRYSA-N 1 0 346.393 3.172 20 10 EGCDRO CC[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810215572 1317977713 /nfs/dbraw/zinc/97/77/13/1317977713.db2.gz HBJZABNKEIGBKA-WFASDCNBSA-N 1 0 346.393 3.172 20 10 EGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810254250 1317987621 /nfs/dbraw/zinc/98/76/21/1317987621.db2.gz KVXZULACAQQOEI-CVEARBPZSA-N 1 0 337.483 3.042 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCc1ccccc1O3)OCO2 ZINC000811512585 1318189831 /nfs/dbraw/zinc/18/98/31/1318189831.db2.gz FSSVJGWVCDNBKL-HXUWFJFHSA-N 1 0 339.391 3.091 20 10 EGCDRO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000929970404 1328752638 /nfs/dbraw/zinc/75/26/38/1328752638.db2.gz JZXSYKCPSUHQRR-TZIWHRDSSA-N 1 0 341.451 3.415 20 10 EGCDRO COc1cc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c(O)cc1C ZINC000811784383 1318266057 /nfs/dbraw/zinc/26/60/57/1318266057.db2.gz VBHZCWVQJMVJPX-SFHVURJKSA-N 1 0 338.451 3.346 20 10 EGCDRO CCC(C)(C)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460232 1318347930 /nfs/dbraw/zinc/34/79/30/1318347930.db2.gz PVUFGNMRRMDTMK-KRWDZBQOSA-N 1 0 334.508 3.185 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C(=O)OC)c(C)n2C)cc1 ZINC000812747128 1318449861 /nfs/dbraw/zinc/44/98/61/1318449861.db2.gz PGIQJLQRDSBZLN-UHFFFAOYSA-N 1 0 343.471 3.256 20 10 EGCDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858485379 1328776266 /nfs/dbraw/zinc/77/62/66/1328776266.db2.gz MGGBAOASLBNEST-WBVHZDCISA-N 1 0 338.467 3.110 20 10 EGCDRO C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+](C)C ZINC000813877368 1318649096 /nfs/dbraw/zinc/64/90/96/1318649096.db2.gz UCBGTWOWXGQSEP-GJZGRUSLSA-N 1 0 339.911 3.025 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c1O ZINC000858499433 1328780583 /nfs/dbraw/zinc/78/05/83/1328780583.db2.gz ZPZSROLTAYQDNL-CYBMUJFWSA-N 1 0 328.412 3.234 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccsc2C(F)F)cc1 ZINC000911667159 1318757252 /nfs/dbraw/zinc/75/72/52/1318757252.db2.gz OPDYSKMTXZWGKY-ZDUSSCGKSA-N 1 0 339.411 3.182 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1N(C)C ZINC000815084435 1318886622 /nfs/dbraw/zinc/88/66/22/1318886622.db2.gz HFAFWCGZWLJSIE-FQEVSTJZSA-N 1 0 328.431 3.294 20 10 EGCDRO CCc1nocc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000815126984 1318903904 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EGCDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000817412384 1319354277 /nfs/dbraw/zinc/35/42/77/1319354277.db2.gz JVLSEUPVIADLAE-SAABIXHNSA-N 1 0 329.488 3.058 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000817417030 1319355096 /nfs/dbraw/zinc/35/50/96/1319355096.db2.gz BHTQKOIYGBUBFB-KRWDZBQOSA-N 1 0 346.475 3.111 20 10 EGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000817576454 1319400825 /nfs/dbraw/zinc/40/08/25/1319400825.db2.gz RROVEHIJBXJWTQ-HNNXBMFYSA-N 1 0 336.451 3.100 20 10 EGCDRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)CCC2 ZINC000817939318 1319468563 /nfs/dbraw/zinc/46/85/63/1319468563.db2.gz BBIPHVHXZMHHAX-HOTGVXAUSA-N 1 0 344.528 3.439 20 10 EGCDRO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000817941367 1319470065 /nfs/dbraw/zinc/47/00/65/1319470065.db2.gz JMESZQMERRKEHE-XOBRGWDASA-N 1 0 340.471 3.062 20 10 EGCDRO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)cc(F)c1[O-] ZINC000817980981 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YDNXJKNIPREVTN-KRWDZBQOSA-N 1 0 348.874 3.244 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccc(F)c(F)c1 ZINC000819096154 1319633371 /nfs/dbraw/zinc/63/33/71/1319633371.db2.gz XRVXQCZVLHCAKO-IBGZPJMESA-N 1 0 330.378 3.164 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C[C@H]3C=CCC3)C2)cc1C ZINC000961536339 1319641291 /nfs/dbraw/zinc/64/12/91/1319641291.db2.gz KBXGWWUEDPCFLC-IVMQYODDSA-N 1 0 342.483 3.344 20 10 EGCDRO COc1cc2c(cc1NC[C@@H](O)C[N@H+](C)C1CC1)oc1ccccc12 ZINC000819398814 1319718317 /nfs/dbraw/zinc/71/83/17/1319718317.db2.gz QKOKLFXRNXGUKQ-CQSZACIVSA-N 1 0 340.423 3.462 20 10 EGCDRO COC(=O)c1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000917074018 1319749513 /nfs/dbraw/zinc/74/95/13/1319749513.db2.gz NEAUOGWREQCYEW-UHFFFAOYSA-N 1 0 328.412 3.297 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1OC ZINC000819902037 1319796083 /nfs/dbraw/zinc/79/60/83/1319796083.db2.gz LVAAJXBVLJFZCW-LJQANCHMSA-N 1 0 347.455 3.191 20 10 EGCDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(O)cc1C ZINC000819901506 1319797326 /nfs/dbraw/zinc/79/73/26/1319797326.db2.gz BSBCZUYFXCMQHT-LJQANCHMSA-N 1 0 331.456 3.490 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000917488454 1319821342 /nfs/dbraw/zinc/82/13/42/1319821342.db2.gz QVFRXVPVUKVXHS-UHFFFAOYSA-N 1 0 334.460 3.452 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C(C)(C)F)C2)cc1C ZINC001023803453 1319947723 /nfs/dbraw/zinc/94/77/23/1319947723.db2.gz RPERNHPBDOYKSZ-MRXNPFEDSA-N 1 0 336.451 3.080 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000822503013 1320089163 /nfs/dbraw/zinc/08/91/63/1320089163.db2.gz CJJJMKDODRUREO-FXAWDEMLSA-N 1 0 338.451 3.107 20 10 EGCDRO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000823050029 1320149041 /nfs/dbraw/zinc/14/90/41/1320149041.db2.gz XATKHQGETVZEBR-SFHVURJKSA-N 1 0 346.519 3.157 20 10 EGCDRO COc1cc(C)ccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000823391169 1320174631 /nfs/dbraw/zinc/17/46/31/1320174631.db2.gz SFHFIMQPNYQMFH-UHFFFAOYSA-N 1 0 340.467 3.472 20 10 EGCDRO CC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823399984 1320175433 /nfs/dbraw/zinc/17/54/33/1320175433.db2.gz VGLRGNPBHWRZMQ-UHFFFAOYSA-N 1 0 345.512 3.295 20 10 EGCDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000823670963 1320197262 /nfs/dbraw/zinc/19/72/62/1320197262.db2.gz GLTJTQSGGSRRCO-VMUDFCTBSA-N 1 0 338.492 3.280 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccncc2F)C1 ZINC000823860320 1320212617 /nfs/dbraw/zinc/21/26/17/1320212617.db2.gz CTXFOOOEJYLKOW-MRXNPFEDSA-N 1 0 349.837 3.334 20 10 EGCDRO COCC[N@H+](Cc1ccco1)Cc1ccc(Br)cc1O ZINC000824580143 1320267940 /nfs/dbraw/zinc/26/79/40/1320267940.db2.gz AXQJVCJNDVMDLZ-UHFFFAOYSA-N 1 0 340.217 3.396 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000824689930 1320277966 /nfs/dbraw/zinc/27/79/66/1320277966.db2.gz WUXFBVYAYBZEMH-CQSZACIVSA-N 1 0 336.233 3.188 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1O ZINC000824954030 1320299556 /nfs/dbraw/zinc/29/95/56/1320299556.db2.gz NZLNJMODZOKTBL-HZPDHXFCSA-N 1 0 348.830 3.459 20 10 EGCDRO Fc1cc(CNc2ccc3c([nH+]2)CCC3)ccc1N1CCOCC1 ZINC000825124539 1320312818 /nfs/dbraw/zinc/31/28/18/1320312818.db2.gz RYGNCGVWBBVGTA-UHFFFAOYSA-N 1 0 327.403 3.158 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)c(C)n1-c1ccc(F)cc1 ZINC000825158272 1320315397 /nfs/dbraw/zinc/31/53/97/1320315397.db2.gz IOMFHBJONSBOBI-GOSISDBHSA-N 1 0 343.446 3.351 20 10 EGCDRO OC[C@]1([NH2+]Cc2ccc(Br)cc2O)CCc2ccccc21 ZINC000825375357 1320333564 /nfs/dbraw/zinc/33/35/64/1320333564.db2.gz LWFKKLMCIKCLTO-QGZVFWFLSA-N 1 0 348.240 3.078 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1Cl ZINC000825501864 1320342955 /nfs/dbraw/zinc/34/29/55/1320342955.db2.gz SKNQXLXGDJVGJB-CQSZACIVSA-N 1 0 325.836 3.329 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000825710251 1320357292 /nfs/dbraw/zinc/35/72/92/1320357292.db2.gz JSVXZQVHKBQWEJ-HNNXBMFYSA-N 1 0 339.277 3.261 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1Cl ZINC000825753900 1320360128 /nfs/dbraw/zinc/36/01/28/1320360128.db2.gz WMXOCEKHNDFUJO-KRWDZBQOSA-N 1 0 325.836 3.124 20 10 EGCDRO COc1cccc(O)c1C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000826808601 1320405975 /nfs/dbraw/zinc/40/59/75/1320405975.db2.gz CWWPDPILNFVZOW-UHFFFAOYSA-N 1 0 338.448 3.136 20 10 EGCDRO CC/C(C)=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311355 1320442662 /nfs/dbraw/zinc/44/26/62/1320442662.db2.gz YWADCTHSTQTSAX-RCBBPTIPSA-N 1 0 336.863 3.483 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000836938203 1320556470 /nfs/dbraw/zinc/55/64/70/1320556470.db2.gz HJXRKJUDRUUPKM-CTXDPNEZSA-N 1 0 337.467 3.449 20 10 EGCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840183298 1321044521 /nfs/dbraw/zinc/04/45/21/1321044521.db2.gz DRCONRYURMMVGM-IBGZPJMESA-N 1 0 335.444 3.170 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000840915531 1321176799 /nfs/dbraw/zinc/17/67/99/1321176799.db2.gz CRFMJALLZDXALS-HSZRJFAPSA-N 1 0 330.497 3.430 20 10 EGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840936648 1321181034 /nfs/dbraw/zinc/18/10/34/1321181034.db2.gz AOPKGOABERJJGX-INIZCTEOSA-N 1 0 347.503 3.408 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000840939014 1321181522 /nfs/dbraw/zinc/18/15/22/1321181522.db2.gz SOOMNZZOJWUUGD-OAQYLSRUSA-N 1 0 335.451 3.157 20 10 EGCDRO CCOc1cccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1O ZINC000840964509 1321188778 /nfs/dbraw/zinc/18/87/78/1321188778.db2.gz WXZKXBMEGAHSHC-UHFFFAOYSA-N 1 0 331.456 3.068 20 10 EGCDRO CC(C)C[C@H](C[NH3+])NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841038172 1321206775 /nfs/dbraw/zinc/20/67/75/1321206775.db2.gz GTWMZENVPHUAEF-MRXNPFEDSA-N 1 0 334.464 3.048 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1Cl ZINC000841043948 1321208185 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EGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000841888996 1321326809 /nfs/dbraw/zinc/32/68/09/1321326809.db2.gz WMLOPZGVVGEWRV-UHFFFAOYSA-N 1 0 330.472 3.057 20 10 EGCDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843045901 1321460975 /nfs/dbraw/zinc/46/09/75/1321460975.db2.gz LSGRQRFJMJHFCU-DOTOQJQBSA-N 1 0 346.475 3.287 20 10 EGCDRO C[C@@H](C[NH3+])N(C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843052005 1321462093 /nfs/dbraw/zinc/46/20/93/1321462093.db2.gz NYNULQFHYKWRDF-ZDUSSCGKSA-N 1 0 340.309 3.218 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C(F)(F)F)c1 ZINC000843053990 1321462939 /nfs/dbraw/zinc/46/29/39/1321462939.db2.gz AJKCXTWVCCLEMR-KGLIPLIRSA-N 1 0 327.394 3.098 20 10 EGCDRO CCOc1ccc(O)c(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1 ZINC000843118606 1321473171 /nfs/dbraw/zinc/47/31/71/1321473171.db2.gz OAUCALNXFBTUGX-SFHVURJKSA-N 1 0 330.403 3.077 20 10 EGCDRO C[NH2+]C[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1 ZINC000843349146 1321503318 /nfs/dbraw/zinc/50/33/18/1321503318.db2.gz ITZCWYRVYAXKJZ-SFHVURJKSA-N 1 0 339.483 3.127 20 10 EGCDRO Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349667 1321503546 /nfs/dbraw/zinc/50/35/46/1321503546.db2.gz IABSKCOMIPIKJL-AWEZNQCLSA-N 1 0 341.430 3.373 20 10 EGCDRO CN1CCCc2cc(CNC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)ccc21 ZINC000844177299 1321576393 /nfs/dbraw/zinc/57/63/93/1321576393.db2.gz HKCGFNJEGPHMDH-SFHVURJKSA-N 1 0 343.858 3.039 20 10 EGCDRO C[N@H+](Cc1cc2cnccc2o1)Cc1ccc(N2CCOCC2)cc1 ZINC000845903391 1321752963 /nfs/dbraw/zinc/75/29/63/1321752963.db2.gz ZKSXTCVXLZBIGY-UHFFFAOYSA-N 1 0 337.423 3.296 20 10 EGCDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846142266 1321770740 /nfs/dbraw/zinc/77/07/40/1321770740.db2.gz ZMQIEKZPQRKHRO-AWEZNQCLSA-N 1 0 348.487 3.479 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCc2cccc(OC)c2OC)c1O ZINC000846140632 1321770945 /nfs/dbraw/zinc/77/09/45/1321770945.db2.gz BTICOECEARTWIH-ZDUSSCGKSA-N 1 0 331.412 3.311 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000846169536 1321774028 /nfs/dbraw/zinc/77/40/28/1321774028.db2.gz DYESGONAUOSOAD-TZMCWYRMSA-N 1 0 335.831 3.481 20 10 EGCDRO O=C(NCc1cc(Cl)ccc1O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000846478082 1321788523 /nfs/dbraw/zinc/78/85/23/1321788523.db2.gz ZGKNXXQRILQHIA-ZDUSSCGKSA-N 1 0 336.863 3.316 20 10 EGCDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000847355855 1321865374 /nfs/dbraw/zinc/86/53/74/1321865374.db2.gz IBMXFPQEBSZFFE-SNRMKQJTSA-N 1 0 344.503 3.130 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848392823 1321957103 /nfs/dbraw/zinc/95/71/03/1321957103.db2.gz HRSFJBNYFLWSBA-CTNGQTDRSA-N 1 0 341.499 3.025 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c1O ZINC000848560155 1321975793 /nfs/dbraw/zinc/97/57/93/1321975793.db2.gz ZGCCUXRMQUHYOK-BLLLJJGKSA-N 1 0 326.396 3.005 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000848568315 1321977502 /nfs/dbraw/zinc/97/75/02/1321977502.db2.gz FNTRXCAYSYVDEV-NHCUHLMSSA-N 1 0 343.515 3.271 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848575976 1321978914 /nfs/dbraw/zinc/97/89/14/1321978914.db2.gz YRWDVNITKUBJAW-CABCVRRESA-N 1 0 339.277 3.261 20 10 EGCDRO C[C@@H](O)C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000848928660 1322048351 /nfs/dbraw/zinc/04/83/51/1322048351.db2.gz JUVRWHDMWPRRFJ-OAHLLOKOSA-N 1 0 327.424 3.316 20 10 EGCDRO CN1CCCc2cc(CNC(=[NH2+])Nc3cc(F)ccc3F)ccc21 ZINC000849081013 1322069761 /nfs/dbraw/zinc/06/97/61/1322069761.db2.gz CCPXNGLBVCRWJM-UHFFFAOYSA-N 1 0 330.382 3.484 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1C ZINC000849349602 1322115551 /nfs/dbraw/zinc/11/55/51/1322115551.db2.gz BYHFQIMVOLESGH-RTBURBONSA-N 1 0 328.431 3.383 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(F)ccc2OC(F)F)c1 ZINC000850137159 1322197525 /nfs/dbraw/zinc/19/75/25/1322197525.db2.gz KWSZUHGGYSUSBU-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000850355094 1322232143 /nfs/dbraw/zinc/23/21/43/1322232143.db2.gz FVVYDYREAVSLJD-GWJPWWOOSA-N 1 0 334.529 3.456 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)CC2CC2)ccc1N1CCCCC1 ZINC000850385737 1322236834 /nfs/dbraw/zinc/23/68/34/1322236834.db2.gz AYACZGGMQFSFBF-KRWDZBQOSA-N 1 0 347.459 3.083 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000850406724 1322240286 /nfs/dbraw/zinc/24/02/86/1322240286.db2.gz QZNPOGKUOSWYMV-UHFFFAOYSA-N 1 0 335.451 3.419 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000850405841 1322240473 /nfs/dbraw/zinc/24/04/73/1322240473.db2.gz HCNBWOSGHLYOBT-UHFFFAOYSA-N 1 0 340.467 3.260 20 10 EGCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000850466224 1322254390 /nfs/dbraw/zinc/25/43/90/1322254390.db2.gz FVSQNSSALHPBCG-CABCVRRESA-N 1 0 347.894 3.346 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850494603 1322257223 /nfs/dbraw/zinc/25/72/23/1322257223.db2.gz QVPUQTLRULEKHO-WBVHZDCISA-N 1 0 349.494 3.186 20 10 EGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000850567859 1322269521 /nfs/dbraw/zinc/26/95/21/1322269521.db2.gz KYNIBLJRRAUOLF-QGZVFWFLSA-N 1 0 346.515 3.475 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000850567485 1322269593 /nfs/dbraw/zinc/26/95/93/1322269593.db2.gz DDJYULFCIJFGKV-UHFFFAOYSA-N 1 0 344.499 3.229 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1O ZINC000850580554 1322272665 /nfs/dbraw/zinc/27/26/65/1322272665.db2.gz OKVOGIDFUXVCCN-AYVTZFPOSA-N 1 0 329.293 3.333 20 10 EGCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc3c(c1)CCCO3)n2C ZINC000922007243 1322438723 /nfs/dbraw/zinc/43/87/23/1322438723.db2.gz AZFDJSAXSJHYLT-UHFFFAOYSA-N 1 0 337.423 3.197 20 10 EGCDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+][C@H](C)c1ccccc1O ZINC000922328960 1322502753 /nfs/dbraw/zinc/50/27/53/1322502753.db2.gz KHNQXJMVOJVRQC-KGLIPLIRSA-N 1 0 329.396 3.183 20 10 EGCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924708059 1323125044 /nfs/dbraw/zinc/12/50/44/1323125044.db2.gz OJNQREWZTSXTME-MRXNPFEDSA-N 1 0 327.497 3.356 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cnnn1C ZINC000924854063 1323188128 /nfs/dbraw/zinc/18/81/28/1323188128.db2.gz LFWZBADJSSBYBP-OAHLLOKOSA-N 1 0 327.476 3.435 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cnnn1C ZINC000924854059 1323188218 /nfs/dbraw/zinc/18/82/18/1323188218.db2.gz LFWZBADJSSBYBP-HNNXBMFYSA-N 1 0 327.476 3.435 20 10 EGCDRO CC[C@@H]1COC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924906691 1323208768 /nfs/dbraw/zinc/20/87/68/1323208768.db2.gz NHTWEGFCBZQCET-CXAGYDPISA-N 1 0 340.414 3.271 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)NCC3([NH3+])CCCC3)c2C)cc1 ZINC000852906222 1323251145 /nfs/dbraw/zinc/25/11/45/1323251145.db2.gz UQAXSWVFOBEESY-UHFFFAOYSA-N 1 0 341.455 3.104 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)CC3CC3)CC2)cc1C ZINC001026440968 1324802702 /nfs/dbraw/zinc/80/27/02/1324802702.db2.gz UHZSKYICFVRRMV-UHFFFAOYSA-N 1 0 330.472 3.321 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3CC(C)(C)C3)C2)cc1C ZINC001026821256 1325033325 /nfs/dbraw/zinc/03/33/25/1325033325.db2.gz CAKUQNWTNOAZQZ-QGZVFWFLSA-N 1 0 344.499 3.378 20 10 EGCDRO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000857069958 1325567899 /nfs/dbraw/zinc/56/78/99/1325567899.db2.gz XTTFFRPMGOIFLI-KXBFYZLASA-N 1 0 332.444 3.271 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)Nc2ccccc2CC[NH+](C)C)c1 ZINC000860989121 1329376063 /nfs/dbraw/zinc/37/60/63/1329376063.db2.gz ZGBMVSHVPDHNDF-UHFFFAOYSA-N 1 0 327.428 3.126 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000927000929 1327813443 /nfs/dbraw/zinc/81/34/43/1327813443.db2.gz NJHFJTURZOWXHO-OLZOCXBDSA-N 1 0 336.432 3.061 20 10 EGCDRO CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698798 1328112040 /nfs/dbraw/zinc/11/20/40/1328112040.db2.gz RIUIXLHISNVQPE-MRXNPFEDSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000862397791 1329482260 /nfs/dbraw/zinc/48/22/60/1329482260.db2.gz OBFKELKYCDSXLM-MRXNPFEDSA-N 1 0 348.450 3.255 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000862396025 1329482300 /nfs/dbraw/zinc/48/23/00/1329482300.db2.gz ZJYYJWMZSIJACC-CJNGLKHVSA-N 1 0 348.240 3.463 20 10 EGCDRO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1O ZINC000864424961 1329613656 /nfs/dbraw/zinc/61/36/56/1329613656.db2.gz RIACYDQEFVTUCK-ZBFHGGJFSA-N 1 0 343.427 3.183 20 10 EGCDRO Cc1cc(C(=O)Cn2ccnc2C[NH3+])c(C)n1-c1cc(C)cc(C)c1 ZINC000864619071 1329630634 /nfs/dbraw/zinc/63/06/34/1329630634.db2.gz IAWLRIXOMHDJSO-UHFFFAOYSA-N 1 0 336.439 3.249 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000865710396 1329731405 /nfs/dbraw/zinc/73/14/05/1329731405.db2.gz BMAIPJWSJXILRN-XPTSAGLGSA-N 1 0 335.366 3.100 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1OC ZINC000865710974 1329731523 /nfs/dbraw/zinc/73/15/23/1329731523.db2.gz GPXITDJGZQZKTH-HOTGVXAUSA-N 1 0 349.393 3.269 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000865731478 1329733696 /nfs/dbraw/zinc/73/36/96/1329733696.db2.gz PAOGPFWZVAERNR-NSHDSACASA-N 1 0 328.368 3.489 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](n2cncn2)C(F)(F)F)c2c1c(F)ccc2O ZINC000866436695 1330112325 /nfs/dbraw/zinc/11/23/25/1330112325.db2.gz QRAQOBCXZPJYPV-QRTLGDNMSA-N 1 0 344.312 3.064 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)c1 ZINC000866470189 1330116365 /nfs/dbraw/zinc/11/63/65/1330116365.db2.gz UXEQPZAZSWUDOJ-HNNXBMFYSA-N 1 0 348.487 3.340 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c1 ZINC000866640070 1330136915 /nfs/dbraw/zinc/13/69/15/1330136915.db2.gz BJOKIJSDMJDPCL-LBPRGKRZSA-N 1 0 328.412 3.231 20 10 EGCDRO CCC[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000969867031 1336254762 /nfs/dbraw/zinc/25/47/62/1336254762.db2.gz IUNBBMGMCQUGDM-KZNAEPCWSA-N 1 0 330.472 3.130 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651411 1370828351 /nfs/dbraw/zinc/82/83/51/1370828351.db2.gz DXYPFTFSDMVPPM-QWHCGFSZSA-N 1 0 341.293 3.270 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@H]2C)cc1C ZINC001035957170 1343288022 /nfs/dbraw/zinc/28/80/22/1343288022.db2.gz CBSWWUILBFEOET-DDOBUIPCSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(C)CC3)C[C@H]2C)cc1C ZINC001036041129 1343308919 /nfs/dbraw/zinc/30/89/19/1343308919.db2.gz GOLUCBDMUCULMH-WBVHZDCISA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(CF)CC3)C[C@H]2C)cc1C ZINC001036179032 1343349343 /nfs/dbraw/zinc/34/93/43/1343349343.db2.gz DYCXHQVZOKUWHW-WBVHZDCISA-N 1 0 348.462 3.080 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)C(C)C)cc1C ZINC001037188573 1344028155 /nfs/dbraw/zinc/02/81/55/1344028155.db2.gz QXSJMUMRPHZXBA-ROUUACIJSA-N 1 0 332.488 3.424 20 10 EGCDRO CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039059751 1344743250 /nfs/dbraw/zinc/74/32/50/1344743250.db2.gz HWGFBRBAVNTMFB-OAHLLOKOSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C/C3CC3)[C@H](C)C2)cc1C ZINC001044531777 1346359440 /nfs/dbraw/zinc/35/94/40/1346359440.db2.gz OXLXGBWMORYYGE-DDOBUIPCSA-N 1 0 342.483 3.439 20 10 EGCDRO CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862843 1347135468 /nfs/dbraw/zinc/13/54/68/1347135468.db2.gz QYWCQQPQBXZUIF-GOSISDBHSA-N 1 0 343.431 3.009 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC(C)C)C[C@@H]2C)cc1C ZINC001048112998 1347470549 /nfs/dbraw/zinc/47/05/49/1347470549.db2.gz NJRLVMIXRYGOMO-WMZOPIPTSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3CCCC3)C[C@H]2C)cc1C ZINC001054316471 1349306028 /nfs/dbraw/zinc/30/60/28/1349306028.db2.gz UJUTWTWTBIBICE-QAPCUYQASA-N 1 0 330.472 3.130 20 10 EGCDRO CC(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072102507 1355131121 /nfs/dbraw/zinc/13/11/21/1355131121.db2.gz PDEQRNZRBYKYGR-XJKSGUPXSA-N 1 0 345.447 3.088 20 10 EGCDRO CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994043 1358948625 /nfs/dbraw/zinc/94/86/25/1358948625.db2.gz AEBVJFAVPZSSOP-XJKSGUPXSA-N 1 0 345.447 3.041 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC001323831712 1387468515 /nfs/dbraw/zinc/46/85/15/1387468515.db2.gz YAUWZJAWFKGQPJ-FRFSOERESA-N 1 0 345.414 3.418 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C[C@@H](C)C3CC3)C2)cc1C ZINC001101042603 1364387093 /nfs/dbraw/zinc/38/70/93/1364387093.db2.gz IEAYXKKNVKGPDN-ZCGYKAAXSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001324757857 1387761182 /nfs/dbraw/zinc/76/11/82/1387761182.db2.gz OVHGMUKUMMSUOW-IBGZPJMESA-N 1 0 340.467 3.161 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2C(=O)COc3ccccc32)c(O)c1 ZINC001324964703 1387857620 /nfs/dbraw/zinc/85/76/20/1387857620.db2.gz KKTKBJKXUWKKIT-HNNXBMFYSA-N 1 0 340.423 3.085 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC001325286408 1387928900 /nfs/dbraw/zinc/92/89/00/1387928900.db2.gz HKFVFLAVFGIQTO-UHFFFAOYSA-N 1 0 338.455 3.317 20 10 EGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)[nH]1 ZINC001325350847 1387947278 /nfs/dbraw/zinc/94/72/78/1387947278.db2.gz BUJBGGLYNVAONF-KRWDZBQOSA-N 1 0 325.460 3.093 20 10 EGCDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC001203001648 1369950871 /nfs/dbraw/zinc/95/08/71/1369950871.db2.gz GLJDITCGKPFAHL-UHFFFAOYSA-N 1 0 335.492 3.441 20 10 EGCDRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203556682 1370168286 /nfs/dbraw/zinc/16/82/86/1370168286.db2.gz TUCBDSIALIORIR-JOCHJYFZSA-N 1 0 348.446 3.293 20 10 EGCDRO O=C1Nc2c(cccc2F)C12CC[NH+](Cc1ccccc1O)CC2 ZINC001203555840 1370168477 /nfs/dbraw/zinc/16/84/77/1370168477.db2.gz HHNGFGRZXQDQQU-UHFFFAOYSA-N 1 0 326.371 3.017 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001203558311 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CCOc1cccc(C[NH+]2CCC(N(C(C)=O)C(C)C)CC2)c1O ZINC001203615358 1370188995 /nfs/dbraw/zinc/18/89/95/1370188995.db2.gz SRZCMBCLOQEKGT-UHFFFAOYSA-N 1 0 334.460 3.012 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c1O ZINC001203617945 1370189571 /nfs/dbraw/zinc/18/95/71/1370189571.db2.gz ZGLMIRJBCHCZBV-UHFFFAOYSA-N 1 0 346.471 3.014 20 10 EGCDRO COc1ccc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)c(O)c1 ZINC001203635351 1370196362 /nfs/dbraw/zinc/19/63/62/1370196362.db2.gz QMYKTIWXJVALKK-LJQANCHMSA-N 1 0 340.467 3.497 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001203657513 1370203422 /nfs/dbraw/zinc/20/34/22/1370203422.db2.gz LQSHLEHPJPTULE-WMZOPIPTSA-N 1 0 337.847 3.206 20 10 EGCDRO Cc1cncnc1OC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203665684 1370208221 /nfs/dbraw/zinc/20/82/21/1370208221.db2.gz UGUUNKRPSCTROM-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001203665853 1370208902 /nfs/dbraw/zinc/20/89/02/1370208902.db2.gz 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ZINC001204240330 1370419091 /nfs/dbraw/zinc/41/90/91/1370419091.db2.gz OWPKBPMTNDQTFN-UHFFFAOYSA-N 1 0 347.466 3.018 20 10 EGCDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204282751 1370430923 /nfs/dbraw/zinc/43/09/23/1370430923.db2.gz VIUUKQSYAKDAQG-QGZVFWFLSA-N 1 0 341.407 3.053 20 10 EGCDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)c(OC)c2)c1 ZINC001204346701 1370449683 /nfs/dbraw/zinc/44/96/83/1370449683.db2.gz WJENBERPBHGBLZ-INIZCTEOSA-N 1 0 329.396 3.452 20 10 EGCDRO [NH3+]C[C@@H]1CN(Cc2c(O)ccc(Cl)c2Cl)CCC1(F)F ZINC001205788487 1370870262 /nfs/dbraw/zinc/87/02/62/1370870262.db2.gz NXSVUBFXYJJNGW-MRVPVSSYSA-N 1 0 325.186 3.115 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206024090 1370941431 /nfs/dbraw/zinc/94/14/31/1370941431.db2.gz HPTIKJNDIDJNLH-STQMWFEESA-N 1 0 341.293 3.270 20 10 EGCDRO Cc1cc(Br)cc(CN2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206371717 1371036524 /nfs/dbraw/zinc/03/65/24/1371036524.db2.gz VJMAQFICSMVBLX-OAHLLOKOSA-N 1 0 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3.446 20 10 EGCDRO CC[N@H+](CCN(C)C)Cc1ccc(OCc2ccccc2)cc1O ZINC001231465971 1376246445 /nfs/dbraw/zinc/24/64/45/1376246445.db2.gz JYBVWRXSWZQCGS-UHFFFAOYSA-N 1 0 328.456 3.355 20 10 EGCDRO COc1ccc(Br)c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c1O ZINC001231556154 1376264251 /nfs/dbraw/zinc/26/42/51/1376264251.db2.gz YIZDKZYHTFQOOB-GHMZBOCLSA-N 1 0 344.249 3.163 20 10 EGCDRO COc1cc(C[NH+]2CCC3(COc4ccccc43)CC2)c(O)cc1O ZINC001231639025 1376289293 /nfs/dbraw/zinc/28/92/93/1376289293.db2.gz KGWBDUXZDJRZKT-UHFFFAOYSA-N 1 0 341.407 3.033 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2c(C)cc(C)cc2O)Cc2cnn(CC)c21 ZINC001231845279 1376325539 /nfs/dbraw/zinc/32/55/39/1376325539.db2.gz WWZXTUMLMWRGQE-QGZVFWFLSA-N 1 0 343.471 3.361 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cc[nH]c2C)cc1C ZINC001134106059 1376371505 /nfs/dbraw/zinc/37/15/05/1376371505.db2.gz ZKUPWDPCWFPLTL-CABCVRRESA-N 1 0 343.471 3.327 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)cc2Cl)cc1C ZINC001134165700 1376396869 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COC[C@H]1Cn2nccc2C[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233285823 1376604306 /nfs/dbraw/zinc/60/43/06/1376604306.db2.gz UTJUKOIZLGUYOP-OAHLLOKOSA-N 1 0 343.471 3.165 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c1 ZINC001233287582 1376604405 /nfs/dbraw/zinc/60/44/05/1376604405.db2.gz YDMVTWBQJANMOX-INIZCTEOSA-N 1 0 345.418 3.272 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC3(CCCNC3=O)CC2)c1 ZINC001233286199 1376604831 /nfs/dbraw/zinc/60/48/31/1376604831.db2.gz JPQJOGLGIAQIRJ-UHFFFAOYSA-N 1 0 330.472 3.182 20 10 EGCDRO Oc1cc(O)c(C[NH+]2CCC(c3ccc(F)cc3F)CC2)cc1O ZINC001233487662 1376653399 /nfs/dbraw/zinc/65/33/99/1376653399.db2.gz NKFUGAOHDUHBDT-UHFFFAOYSA-N 1 0 335.350 3.461 20 10 EGCDRO Oc1c(CN2CCC([NH+]3CCCC3)CC2)cccc1OC(F)(F)F ZINC001233728329 1376703465 /nfs/dbraw/zinc/70/34/65/1376703465.db2.gz VVZUGKFWSZKUOU-UHFFFAOYSA-N 1 0 344.377 3.351 20 10 EGCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2Cc2ccccc2)c(Cl)c1 ZINC001235857326 1376905309 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c1cc(Nc2ccc3c(c2)OCCN3)cc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160217822 1382037511 /nfs/dbraw/zinc/03/75/11/1382037511.db2.gz BNPMQCLLNMHALN-QGZVFWFLSA-N 1 0 325.412 3.365 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H](C)C2)cc1C ZINC001165399846 1383286814 /nfs/dbraw/zinc/28/68/14/1383286814.db2.gz IRIXECMIGPSYMZ-QAPCUYQASA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2(C(C)(F)F)CC2)cc1C ZINC001166844411 1383486675 /nfs/dbraw/zinc/48/66/75/1383486675.db2.gz WKBDVINAUXFCPG-UHFFFAOYSA-N 1 0 340.414 3.035 20 10 EGCDRO CC[NH+](CC)Cc1cccc(NCCc2cc(O)c(O)cc2O)c1F ZINC001168018091 1383797900 /nfs/dbraw/zinc/79/79/00/1383797900.db2.gz XKFDPYGHFSJQOP-UHFFFAOYSA-N 1 0 348.418 3.439 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(N[C@@H]2CCCN(C3COC3)C2)cc1 ZINC001168370182 1383886508 /nfs/dbraw/zinc/88/65/08/1383886508.db2.gz XKCRSSYCKVXGPC-GOSISDBHSA-N 1 0 325.456 3.369 20 10 EGCDRO CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001169051574 1384100796 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EGCDRO COC(=O)CCCC[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001173445818 1384971959 /nfs/dbraw/zinc/97/19/59/1384971959.db2.gz RGJDOKCFYBJRAD-NSHDSACASA-N 1 0 344.249 3.366 20 10 EGCDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001173624002 1384990720 /nfs/dbraw/zinc/99/07/20/1384990720.db2.gz WVRPTIUNFHMTJI-QZTJIDSGSA-N 1 0 330.472 3.498 20 10 EGCDRO COc1cccc(C[N@@H+]2CCCN(Cc3ccc(C)cc3)CC2)c1O ZINC001319690891 1386253229 /nfs/dbraw/zinc/25/32/29/1386253229.db2.gz JUMCCRRZDHVAST-UHFFFAOYSA-N 1 0 340.467 3.417 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1C ZINC001319730226 1386273219 /nfs/dbraw/zinc/27/32/19/1386273219.db2.gz YRIAEXQVCDPIGI-LJQANCHMSA-N 1 0 338.451 3.403 20 10 EGCDRO C[N@@H+]1CCCC[C@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001178691113 1386278962 /nfs/dbraw/zinc/27/89/62/1386278962.db2.gz LHADQZOVKWPTGL-NWPGUURUSA-N 1 0 338.415 3.090 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)c1O ZINC001319952344 1386413497 /nfs/dbraw/zinc/41/34/97/1386413497.db2.gz ZVVYPGZMCMBUIK-HUUCEWRRSA-N 1 0 341.293 3.426 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC001320118164 1386524906 /nfs/dbraw/zinc/52/49/06/1386524906.db2.gz GDSDIXCNPCQVFU-ZIAGYGMSSA-N 1 0 326.444 3.357 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1ccc(N(C)C)cc1 ZINC001320881362 1386746957 /nfs/dbraw/zinc/74/69/57/1386746957.db2.gz UNMDMSVBDHUXIA-YLJYHZDGSA-N 1 0 334.504 3.219 20 10 EGCDRO Cc1cscc1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320938544 1386764250 /nfs/dbraw/zinc/76/42/50/1386764250.db2.gz RCEMPVOIHWWLQT-UHFFFAOYSA-N 1 0 333.476 3.237 20 10 EGCDRO CC(C)[NH2+]CCCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001180418994 1386791464 /nfs/dbraw/zinc/79/14/64/1386791464.db2.gz KNXNBZIPYMHFHO-UHFFFAOYSA-N 1 0 333.436 3.137 20 10 EGCDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321208276 1386841441 /nfs/dbraw/zinc/84/14/41/1386841441.db2.gz QXSRFKLNGWYZHC-GFCCVEGCSA-N 1 0 333.373 3.008 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC001336319323 1389067890 /nfs/dbraw/zinc/06/78/90/1389067890.db2.gz MQUQRTSPXJNVFG-CJNGLKHVSA-N 1 0 342.414 3.408 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC1(O)CCCCC1 ZINC001336735530 1389151197 /nfs/dbraw/zinc/15/11/97/1389151197.db2.gz FYHPFMVEWTWZFU-FQEVSTJZSA-N 1 0 346.515 3.213 20 10 EGCDRO COc1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)c(O)c1OC ZINC001336807050 1389173211 /nfs/dbraw/zinc/17/32/11/1389173211.db2.gz JUCCNTNJXPCYRR-UHFFFAOYSA-N 1 0 326.396 3.223 20 10 EGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001331503515 1389772679 /nfs/dbraw/zinc/77/26/79/1389772679.db2.gz IAHDHBPQRRYDTC-LLVKDONJSA-N 1 0 343.418 3.034 20 10 EGCDRO COc1cc(OC)cc(OCCC[N@H+](C)Cc2ccc(N)cc2)c1 ZINC001334753897 1390581821 /nfs/dbraw/zinc/58/18/21/1390581821.db2.gz HNHSUNYPVWPOPX-UHFFFAOYSA-N 1 0 330.428 3.187 20 10 EGCDRO C[C@@H](NC(=O)c1ccc([C@H]2CCCC[NH2+]2)n1C)c1ccccc1O ZINC001342404278 1390609480 /nfs/dbraw/zinc/60/94/80/1390609480.db2.gz FYRDTUCBFYQPJY-UKRRQHHQSA-N 1 0 327.428 3.036 20 10 EGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1c(O)cccc1Br ZINC001335157952 1390649928 /nfs/dbraw/zinc/64/99/28/1390649928.db2.gz WOKQWEXNHZGYMG-JTQLQIEISA-N 1 0 344.249 3.365 20 10 EGCDRO Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC001345160168 1390842395 /nfs/dbraw/zinc/84/23/95/1390842395.db2.gz SQEKTXUYTPFINF-AWEZNQCLSA-N 1 0 344.846 3.168 20 10 EGCDRO Cc1cccc([C@H](O)C[NH2+]Cc2c(O)cccc2Br)c1 ZINC001351327178 1391627611 /nfs/dbraw/zinc/62/76/11/1391627611.db2.gz ACBCPZNUCCZBHM-MRXNPFEDSA-N 1 0 336.229 3.286 20 10 EGCDRO COc1ccc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c(O)c1OC ZINC001351999063 1391741881 /nfs/dbraw/zinc/74/18/81/1391741881.db2.gz DWSYSIKITSAUKW-AWEZNQCLSA-N 1 0 334.441 3.415 20 10 EGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC001353933722 1392109045 /nfs/dbraw/zinc/10/90/45/1392109045.db2.gz YGVOGWYXAQADSJ-UMNHJUIQSA-N 1 0 342.233 3.147 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C(C)(C)C)C2)cc1C ZINC001754710570 1440670078 /nfs/dbraw/zinc/67/00/78/1440670078.db2.gz IKMPCDCLGWHELG-HXUWFJFHSA-N 1 0 332.488 3.378 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c(O)c1 ZINC000835072723 1126111396 /nfs/dbraw/zinc/11/13/96/1126111396.db2.gz HEZZQTCCDATKKN-GOSISDBHSA-N 1 0 329.440 3.101 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000185291222 455534420 /nfs/dbraw/zinc/53/44/20/455534420.db2.gz AVVZPFIKISUCML-NSHDSACASA-N 1 0 332.366 3.078 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000291336024 456609799 /nfs/dbraw/zinc/60/97/99/456609799.db2.gz VHACZHDKUFMTGT-AWEZNQCLSA-N 1 0 336.233 3.107 20 10 EGCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000183212524 455252452 /nfs/dbraw/zinc/25/24/52/455252452.db2.gz TYAHRFUKRGJQDA-INIZCTEOSA-N 1 0 331.504 3.490 20 10 EGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000016878595 453623241 /nfs/dbraw/zinc/62/32/41/453623241.db2.gz SJBBQTCWHGTGAZ-UHFFFAOYSA-N 1 0 340.467 3.478 20 10 EGCDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000054521136 453933754 /nfs/dbraw/zinc/93/37/54/453933754.db2.gz CPGFWRFFEZOAGG-QGZVFWFLSA-N 1 0 338.451 3.284 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000089212283 454126418 /nfs/dbraw/zinc/12/64/18/454126418.db2.gz BUWRPEOCCDQDDX-KRWDZBQOSA-N 1 0 330.476 3.298 20 10 EGCDRO CC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000089628986 454169770 /nfs/dbraw/zinc/16/97/70/454169770.db2.gz PVUBWTCMAYHUCE-INIZCTEOSA-N 1 0 326.506 3.007 20 10 EGCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699910 455431978 /nfs/dbraw/zinc/43/19/78/455431978.db2.gz SWXDXHPXIDARPV-CYBMUJFWSA-N 1 0 326.868 3.218 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1C(C)C ZINC000050900630 454601365 /nfs/dbraw/zinc/60/13/65/454601365.db2.gz OTRCGAJHPXJTBE-OAHLLOKOSA-N 1 0 330.472 3.315 20 10 EGCDRO CO[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000123212076 454615840 /nfs/dbraw/zinc/61/58/40/454615840.db2.gz ZQXAJOOEZSSHOJ-YJLNNSPDSA-N 1 0 336.451 3.271 20 10 EGCDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093754236 454731886 /nfs/dbraw/zinc/73/18/86/454731886.db2.gz NDTKCTNAPMRRBM-IBGZPJMESA-N 1 0 332.488 3.162 20 10 EGCDRO CCn1cc(C[N@H+](CC)Cc2cc(Br)ccc2O)cn1 ZINC000093866940 454741637 /nfs/dbraw/zinc/74/16/37/454741637.db2.gz DFPNTNUKBOPHOS-UHFFFAOYSA-N 1 0 338.249 3.393 20 10 EGCDRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c(C)n1-c1ccccn1 ZINC000176905433 454797354 /nfs/dbraw/zinc/79/73/54/454797354.db2.gz WLZGTBBZDMLXBT-UHFFFAOYSA-N 1 0 349.438 3.198 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000108928449 454816770 /nfs/dbraw/zinc/81/67/70/454816770.db2.gz DOFNOZGBKPAEKR-MRXNPFEDSA-N 1 0 333.476 3.188 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000177266617 454844974 /nfs/dbraw/zinc/84/49/74/454844974.db2.gz YXSKSYWDPZTXBF-AWEZNQCLSA-N 1 0 336.863 3.166 20 10 EGCDRO Cc1ccc(O)c(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000125927153 454856768 /nfs/dbraw/zinc/85/67/68/454856768.db2.gz INEQISDJUGLJPU-CQSZACIVSA-N 1 0 333.453 3.297 20 10 EGCDRO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235890 454859422 /nfs/dbraw/zinc/85/94/22/454859422.db2.gz JOHGAJHZDYQBLL-INIZCTEOSA-N 1 0 344.480 3.422 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](c3ccco3)N(C)C)CC2)cc1 ZINC000154094812 454865257 /nfs/dbraw/zinc/86/52/57/454865257.db2.gz HVBWEWDXYQHMMS-IBGZPJMESA-N 1 0 343.471 3.150 20 10 EGCDRO Cn1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000126128332 454872815 /nfs/dbraw/zinc/87/28/15/454872815.db2.gz ABWXNHMLKKYLJA-HNNXBMFYSA-N 1 0 335.398 3.385 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000113359269 454924819 /nfs/dbraw/zinc/92/48/19/454924819.db2.gz AFPBMXFADVFHDZ-INIZCTEOSA-N 1 0 340.920 3.495 20 10 EGCDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178490790 454956664 /nfs/dbraw/zinc/95/66/64/454956664.db2.gz IDWDAOITDSXNBB-HOTGVXAUSA-N 1 0 347.478 3.478 20 10 EGCDRO C[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccc(N2CCCCC2)cc1 ZINC000155244175 454979327 /nfs/dbraw/zinc/97/93/27/454979327.db2.gz XOOQHYPFSMCYDU-UHFFFAOYSA-N 1 0 343.496 3.469 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c1 ZINC000185093828 455500187 /nfs/dbraw/zinc/50/01/87/455500187.db2.gz KXCPVASZTVBMPB-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCN(c3ccccc3C)CC2)cc1OC ZINC000179433557 455047743 /nfs/dbraw/zinc/04/77/43/455047743.db2.gz RCZXSBDFEIUICF-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(OC)cc1O ZINC000179698236 455067961 /nfs/dbraw/zinc/06/79/61/455067961.db2.gz ZTPLKCUKCVSYQR-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152341283 455104438 /nfs/dbraw/zinc/10/44/38/455104438.db2.gz FYFREXWTQSJQAF-HUUCEWRRSA-N 1 0 329.419 3.469 20 10 EGCDRO Cn1cccc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000118992413 455119645 /nfs/dbraw/zinc/11/96/45/455119645.db2.gz BRGPZSHYMSEMID-UHFFFAOYSA-N 1 0 335.398 3.385 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1OC ZINC000180488938 455180819 /nfs/dbraw/zinc/18/08/19/455180819.db2.gz HKISUUUHLTZKIF-KRWDZBQOSA-N 1 0 342.439 3.486 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000157580331 455209443 /nfs/dbraw/zinc/20/94/43/455209443.db2.gz YZWPQVCHHKQYQZ-QRWLVFNGSA-N 1 0 344.430 3.047 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)ccc1OC ZINC000265238812 455303101 /nfs/dbraw/zinc/30/31/01/455303101.db2.gz KRZVMRWOKIESQB-SFHVURJKSA-N 1 0 333.403 3.194 20 10 EGCDRO Cc1n[nH]cc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622312 455406988 /nfs/dbraw/zinc/40/69/88/455406988.db2.gz JSUOKZWVOFZGON-AWEZNQCLSA-N 1 0 336.386 3.078 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000182097569 455435322 /nfs/dbraw/zinc/43/53/22/455435322.db2.gz WZIHTYFAEKIXQI-WAIKUNEKSA-N 1 0 333.453 3.000 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000182130213 455442397 /nfs/dbraw/zinc/44/23/97/455442397.db2.gz WGWKIXMNXPWHRV-CQSZACIVSA-N 1 0 331.847 3.422 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000182130193 455442579 /nfs/dbraw/zinc/44/25/79/455442579.db2.gz WGWKIXMNXPWHRV-AWEZNQCLSA-N 1 0 331.847 3.422 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184903872 455469991 /nfs/dbraw/zinc/46/99/91/455469991.db2.gz XXZZLWAOBGQFSR-PXNSSMCTSA-N 1 0 340.467 3.425 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c(O)c1 ZINC000184919369 455472565 /nfs/dbraw/zinc/47/25/65/455472565.db2.gz YUQNECJTRZELFE-YLJYHZDGSA-N 1 0 340.467 3.425 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(F)ccc1O ZINC000184979998 455480478 /nfs/dbraw/zinc/48/04/78/455480478.db2.gz JJLSPMVHZCDNDV-GFCCVEGCSA-N 1 0 332.375 3.080 20 10 EGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185154544 455511672 /nfs/dbraw/zinc/51/16/72/455511672.db2.gz UZVUAVJIQZAJKA-GHMZBOCLSA-N 1 0 343.265 3.110 20 10 EGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185154507 455511863 /nfs/dbraw/zinc/51/18/63/455511863.db2.gz UZVUAVJIQZAJKA-MNOVXSKESA-N 1 0 343.265 3.110 20 10 EGCDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000185201112 455520246 /nfs/dbraw/zinc/52/02/46/455520246.db2.gz LDYGXZKFYPFIJQ-LBPRGKRZSA-N 1 0 348.830 3.135 20 10 EGCDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000267901616 455562397 /nfs/dbraw/zinc/56/23/97/455562397.db2.gz LKTZXPPGURNJLX-HNAYVOBHSA-N 1 0 327.424 3.343 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c(O)c1 ZINC000185498727 455568369 /nfs/dbraw/zinc/56/83/69/455568369.db2.gz AKNIRBCCTPBBKU-LLVKDONJSA-N 1 0 340.349 3.272 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271432544 455634289 /nfs/dbraw/zinc/63/42/89/455634289.db2.gz BDVOGCHYZCCKTA-GIVPXCGWSA-N 1 0 342.483 3.278 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c(O)c1 ZINC000186013735 455675334 /nfs/dbraw/zinc/67/53/34/455675334.db2.gz XSESOTOJQWUHLI-CQSZACIVSA-N 1 0 330.403 3.310 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cc(F)ccc1O ZINC000186022968 455677710 /nfs/dbraw/zinc/67/77/10/455677710.db2.gz NYLNGVBFMQXAMY-NHYWBVRUSA-N 1 0 332.350 3.127 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1cc(F)ccc1O ZINC000186195750 455713786 /nfs/dbraw/zinc/71/37/86/455713786.db2.gz BCUHCCKBCSYHBX-KDOFPFPSSA-N 1 0 342.414 3.373 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000192916345 455717038 /nfs/dbraw/zinc/71/70/38/455717038.db2.gz UHZSKMUYDDXARC-PBHICJAKSA-N 1 0 330.428 3.482 20 10 EGCDRO COCCC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268900304 455723463 /nfs/dbraw/zinc/72/34/63/455723463.db2.gz WLSRYAZMVZBKHV-HRCADAONSA-N 1 0 338.467 3.344 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000271736380 455739580 /nfs/dbraw/zinc/73/95/80/455739580.db2.gz OSOXWEHFFVGRSH-UHFFFAOYSA-N 1 0 346.471 3.062 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(Cl)ccc1O ZINC000186307344 455739976 /nfs/dbraw/zinc/73/99/76/455739976.db2.gz LUPXINBOWAZVLM-CYBMUJFWSA-N 1 0 332.831 3.055 20 10 EGCDRO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000292767070 455752280 /nfs/dbraw/zinc/75/22/80/455752280.db2.gz JHCQOSRGNVRYDE-KSSFIOAISA-N 1 0 342.414 3.325 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000186373677 455755139 /nfs/dbraw/zinc/75/51/39/455755139.db2.gz RHKOSRFECZXBHG-AWEZNQCLSA-N 1 0 333.453 3.345 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1C ZINC000278147567 455769903 /nfs/dbraw/zinc/76/99/03/455769903.db2.gz BUNDAGOQKHRJOD-UHFFFAOYSA-N 1 0 346.383 3.258 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1 ZINC000186526079 455787396 /nfs/dbraw/zinc/78/73/96/455787396.db2.gz QLAZMVIZIBVUCR-CYBMUJFWSA-N 1 0 342.395 3.208 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1N(C)C ZINC000293470171 455787493 /nfs/dbraw/zinc/78/74/93/455787493.db2.gz DZRCWKULTCUHRW-HUUCEWRRSA-N 1 0 330.394 3.054 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1O ZINC000271856162 455788216 /nfs/dbraw/zinc/78/82/16/455788216.db2.gz UXMFRJNVOBNEEN-CYBMUJFWSA-N 1 0 336.233 3.353 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000293804484 455798574 /nfs/dbraw/zinc/79/85/74/455798574.db2.gz DNGQMSWYDZTRPF-IBGZPJMESA-N 1 0 327.424 3.394 20 10 EGCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293870594 455798869 /nfs/dbraw/zinc/79/88/69/455798869.db2.gz UXRDVQQDLLOCOZ-QAPCUYQASA-N 1 0 326.440 3.180 20 10 EGCDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294877238 455830955 /nfs/dbraw/zinc/83/09/55/455830955.db2.gz FHUWFIRCBIETQY-RTWAWAEBSA-N 1 0 346.515 3.427 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(O)c1 ZINC000278429358 455834950 /nfs/dbraw/zinc/83/49/50/455834950.db2.gz SYSFFEBXVFNKAC-CJNGLKHVSA-N 1 0 347.377 3.316 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NCc2ncc(C(F)(F)F)cn2)c1 ZINC000295011737 455835541 /nfs/dbraw/zinc/83/55/41/455835541.db2.gz MCOPPYLXQFBBPM-SECBINFHSA-N 1 0 327.306 3.060 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c(O)c1C ZINC000278440147 455836474 /nfs/dbraw/zinc/83/64/74/455836474.db2.gz KIZBWZTTYQBYAG-CVEARBPZSA-N 1 0 328.460 3.062 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000295070027 455837660 /nfs/dbraw/zinc/83/76/60/455837660.db2.gz WFTDSXCMDPNRPZ-GHTZIAJQSA-N 1 0 346.515 3.285 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)cc1OC ZINC000295129708 455840460 /nfs/dbraw/zinc/84/04/60/455840460.db2.gz XWOHKFQOOPMQFG-IUODEOHRSA-N 1 0 329.396 3.411 20 10 EGCDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000186868838 455845790 /nfs/dbraw/zinc/84/57/90/455845790.db2.gz ZCAVTIMFLZFVJT-AWEZNQCLSA-N 1 0 335.469 3.411 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3cc(C)c(C)cc3O)n2)c1 ZINC000278874046 455851781 /nfs/dbraw/zinc/85/17/81/455851781.db2.gz YVTRKPFFSCADJD-AWEZNQCLSA-N 1 0 337.427 3.348 20 10 EGCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000295866606 455861775 /nfs/dbraw/zinc/86/17/75/455861775.db2.gz FXYBHTKUSMZFRD-HUUCEWRRSA-N 1 0 346.450 3.291 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3ccnn3CC)CC2)c1 ZINC000279353064 455863801 /nfs/dbraw/zinc/86/38/01/455863801.db2.gz GKAHICJDQBZOTK-UHFFFAOYSA-N 1 0 329.444 3.387 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000296062907 455868502 /nfs/dbraw/zinc/86/85/02/455868502.db2.gz VYSXEIKDTTYUDY-GOSISDBHSA-N 1 0 345.531 3.174 20 10 EGCDRO CCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1ccccc1 ZINC000279661892 455870645 /nfs/dbraw/zinc/87/06/45/455870645.db2.gz MAAQWJDTUINIAQ-DNVCBOLYSA-N 1 0 329.396 3.113 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCSCCCO)c1O ZINC000187174129 455876303 /nfs/dbraw/zinc/87/63/03/455876303.db2.gz CWRMTOOONZZGEQ-LLVKDONJSA-N 1 0 348.306 3.229 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCSCCCO)c1O ZINC000187174146 455876339 /nfs/dbraw/zinc/87/63/39/455876339.db2.gz CWRMTOOONZZGEQ-NSHDSACASA-N 1 0 348.306 3.229 20 10 EGCDRO Oc1ccccc1C[N@H+](CC[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000285611267 455881586 /nfs/dbraw/zinc/88/15/86/455881586.db2.gz MDQGYJRFQOILHX-PZJWPPBQSA-N 1 0 341.451 3.497 20 10 EGCDRO CC[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(C)cc1O ZINC000280050297 455881822 /nfs/dbraw/zinc/88/18/22/455881822.db2.gz JMNRXIYPWQJMQW-SFHVURJKSA-N 1 0 342.439 3.267 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(C)cc1O ZINC000280079120 455886471 /nfs/dbraw/zinc/88/64/71/455886471.db2.gz LQBUHNFTJMVCFJ-KRWDZBQOSA-N 1 0 326.444 3.200 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)cc1OC ZINC000272453281 455955583 /nfs/dbraw/zinc/95/55/83/455955583.db2.gz WNCMCMNLIHDTCG-CWTRNNRKSA-N 1 0 349.402 3.414 20 10 EGCDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000272474980 455963753 /nfs/dbraw/zinc/96/37/53/455963753.db2.gz AETBUJVXQRTYKF-ZDUSSCGKSA-N 1 0 331.439 3.136 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](COc3ccccc3)C1)OCO2 ZINC000272550537 455991228 /nfs/dbraw/zinc/99/12/28/455991228.db2.gz TWQXQSMUBDOBIT-AWEZNQCLSA-N 1 0 327.380 3.022 20 10 EGCDRO O=C(CCC[NH2+][C@@H]1CCc2cccc(O)c21)N1CCc2ccccc21 ZINC000296675991 456007649 /nfs/dbraw/zinc/00/76/49/456007649.db2.gz GERJRGGKMTTWMM-QGZVFWFLSA-N 1 0 336.435 3.339 20 10 EGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296690674 456011081 /nfs/dbraw/zinc/01/10/81/456011081.db2.gz HDKVKMDVPPAWKP-DOTOQJQBSA-N 1 0 345.464 3.222 20 10 EGCDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272621795 456017285 /nfs/dbraw/zinc/01/72/85/456017285.db2.gz LYQKTNIFSJZIFQ-CHWSQXEVSA-N 1 0 338.423 3.266 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000280689186 456032192 /nfs/dbraw/zinc/03/21/92/456032192.db2.gz VPBDWRDFWFWMAF-CVEARBPZSA-N 1 0 346.393 3.055 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCn2cc(Br)cn2)c1 ZINC000287196326 456063632 /nfs/dbraw/zinc/06/36/32/456063632.db2.gz DNFQQCHOVOFLME-LBPRGKRZSA-N 1 0 338.249 3.401 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(Br)cc1O ZINC000287387535 456068292 /nfs/dbraw/zinc/06/82/92/456068292.db2.gz INYVFXJVRDIYFN-SDDRHHMPSA-N 1 0 328.250 3.478 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cc(Br)ccc1O ZINC000188473660 456069281 /nfs/dbraw/zinc/06/92/81/456069281.db2.gz ILSPTVHYTOTFBL-ZWNOBZJWSA-N 1 0 343.265 3.062 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cnn(C)c1 ZINC000281040332 456117281 /nfs/dbraw/zinc/11/72/81/456117281.db2.gz ZHOSYVPSSTVJSB-NSHDSACASA-N 1 0 326.366 3.356 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000289839568 456150934 /nfs/dbraw/zinc/15/09/34/456150934.db2.gz NCLPYGNSPZFOCK-PXNSSMCTSA-N 1 0 327.424 3.047 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c(O)c1 ZINC000297227308 456155219 /nfs/dbraw/zinc/15/52/19/456155219.db2.gz HPTZULNKRSHLTK-FHERZECASA-N 1 0 339.501 3.263 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000271198972 456168141 /nfs/dbraw/zinc/16/81/41/456168141.db2.gz PWMSRDJMPHOQEH-UHFFFAOYSA-N 1 0 330.472 3.362 20 10 EGCDRO Cc1cccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1O ZINC000281225398 456170520 /nfs/dbraw/zinc/17/05/20/456170520.db2.gz KPZCRAUFFMYCND-UHFFFAOYSA-N 1 0 326.318 3.327 20 10 EGCDRO Fc1cncc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000281307240 456196110 /nfs/dbraw/zinc/19/61/10/456196110.db2.gz RPHXLZSLAIRXNZ-FQEVSTJZSA-N 1 0 341.430 3.298 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1O ZINC000263720288 456202183 /nfs/dbraw/zinc/20/21/83/456202183.db2.gz WBQOEISWJIWLOM-LBPRGKRZSA-N 1 0 326.396 3.136 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c(O)c1C ZINC000273380841 456227310 /nfs/dbraw/zinc/22/73/10/456227310.db2.gz IEADURGVIMABQR-INIZCTEOSA-N 1 0 336.439 3.500 20 10 EGCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273405986 456229037 /nfs/dbraw/zinc/22/90/37/456229037.db2.gz OMZAKWPZULYBFJ-KDOFPFPSSA-N 1 0 345.439 3.410 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400958 456229213 /nfs/dbraw/zinc/22/92/13/456229213.db2.gz NDSKMUOWGNKDRE-CYBMUJFWSA-N 1 0 329.400 3.213 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc(Cl)ccc1O ZINC000273439554 456230089 /nfs/dbraw/zinc/23/00/89/456230089.db2.gz YASGYCLBJSZTHP-CYBMUJFWSA-N 1 0 347.846 3.128 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273439650 456232098 /nfs/dbraw/zinc/23/20/98/456232098.db2.gz YBHSGRIOLZVKCH-OAHLLOKOSA-N 1 0 330.428 3.280 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H]3CCCOC3)cc2)CC1 ZINC000297484037 456232378 /nfs/dbraw/zinc/23/23/78/456232378.db2.gz LZLQFAGDXBVXSK-GOSISDBHSA-N 1 0 332.488 3.160 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)ccc1OC ZINC000273535550 456238097 /nfs/dbraw/zinc/23/80/97/456238097.db2.gz ALENFDVUMVKLOE-VAMGGRTRSA-N 1 0 349.471 3.048 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1O ZINC000274783214 456264473 /nfs/dbraw/zinc/26/44/73/456264473.db2.gz PTKNENJJOBFECH-QZTJIDSGSA-N 1 0 339.439 3.019 20 10 EGCDRO CS(=O)(=O)CCCCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000274785620 456264779 /nfs/dbraw/zinc/26/47/79/456264779.db2.gz WWDKBHAIRYJHPZ-UHFFFAOYSA-N 1 0 347.480 3.364 20 10 EGCDRO O=C(NCC[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000297864128 456312397 /nfs/dbraw/zinc/31/23/97/456312397.db2.gz UFQWURTXBQMPAL-HNNXBMFYSA-N 1 0 330.815 3.053 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1O ZINC000290413031 456321119 /nfs/dbraw/zinc/32/11/19/456321119.db2.gz KEASXTNTRFNUDI-MRXNPFEDSA-N 1 0 337.423 3.415 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000282389817 456498228 /nfs/dbraw/zinc/49/82/28/456498228.db2.gz OWORWQHUASZDMQ-FQEVSTJZSA-N 1 0 327.424 3.105 20 10 EGCDRO CN(C)c1ccc(C[N@H+](CC(=O)NCc2cccs2)C2CC2)cc1 ZINC000298715684 456524644 /nfs/dbraw/zinc/52/46/44/456524644.db2.gz LXARMOMHACUFIZ-UHFFFAOYSA-N 1 0 343.496 3.095 20 10 EGCDRO COc1ccc([C@H](O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000291299488 456595978 /nfs/dbraw/zinc/59/59/78/456595978.db2.gz QMBKHTGALDXGLX-FQEVSTJZSA-N 1 0 345.414 3.486 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000282990844 456683791 /nfs/dbraw/zinc/68/37/91/456683791.db2.gz FOKHIRQGJQRVDG-UHFFFAOYSA-N 1 0 333.476 3.188 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277415650 456817503 /nfs/dbraw/zinc/81/75/03/456817503.db2.gz GUYUPFBGISIEGO-GOSISDBHSA-N 1 0 345.487 3.331 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1F ZINC000367710143 457974494 /nfs/dbraw/zinc/97/44/94/457974494.db2.gz YMBOXWXPWQESOR-MRXNPFEDSA-N 1 0 330.451 3.395 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c(C)n1-c1ccc(F)cc1 ZINC000368384675 458033245 /nfs/dbraw/zinc/03/32/45/458033245.db2.gz JSKMWXNMTPVGMH-SFHVURJKSA-N 1 0 341.430 3.105 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@@H]2CCCO[C@@H]21 ZINC000371799763 458079057 /nfs/dbraw/zinc/07/90/57/458079057.db2.gz TVEUOYJKQIPBNE-CFVMTHIKSA-N 1 0 340.261 3.448 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccnn3C(C)C)CC2)cc1 ZINC000377082238 458456791 /nfs/dbraw/zinc/45/67/91/458456791.db2.gz KJZOKJDUQFGUMU-UHFFFAOYSA-N 1 0 328.460 3.185 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1O ZINC000527799809 459740425 /nfs/dbraw/zinc/74/04/25/459740425.db2.gz NBMLBBHGVMZPMO-HIFRSBDPSA-N 1 0 344.249 3.209 20 10 EGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000565593856 459786361 /nfs/dbraw/zinc/78/63/61/459786361.db2.gz YPTNKSMTZKYHHQ-UHFFFAOYSA-N 1 0 335.451 3.078 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3NC2=O)c2c1c(F)ccc2O ZINC000528002987 459793629 /nfs/dbraw/zinc/79/36/29/459793629.db2.gz UIIPBHWWCOGJOU-WKPIXPDZSA-N 1 0 326.371 3.233 20 10 EGCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471728067 547950380 /nfs/dbraw/zinc/95/03/80/547950380.db2.gz SWNIDEVRCOMZME-AWEZNQCLSA-N 1 0 330.476 3.016 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000726189883 574544782 /nfs/dbraw/zinc/54/47/82/574544782.db2.gz PXWYBNKMUPFGGY-UHFFFAOYSA-N 1 0 346.475 3.159 20 10 EGCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000726237805 574546884 /nfs/dbraw/zinc/54/68/84/574546884.db2.gz MVWMLQZOSJLECS-YJBOKZPZSA-N 1 0 339.439 3.027 20 10 EGCDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000727643818 574680388 /nfs/dbraw/zinc/68/03/88/574680388.db2.gz OSGWBAFJPCBJNR-UHFFFAOYSA-N 1 0 337.467 3.061 20 10 EGCDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000728604929 574761353 /nfs/dbraw/zinc/76/13/53/574761353.db2.gz LDDSBUXUQVTELQ-LJQANCHMSA-N 1 0 343.446 3.201 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000731868849 575216594 /nfs/dbraw/zinc/21/65/94/575216594.db2.gz ZVFVKMGDCZDNEG-OAHLLOKOSA-N 1 0 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1298133472 /nfs/dbraw/zinc/13/34/72/1298133472.db2.gz AUZUVTGVMRPBAJ-GFCCVEGCSA-N 1 0 327.266 3.119 20 10 EGCDRO CCCCCn1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)c(C)n1 ZINC000767426133 1302672352 /nfs/dbraw/zinc/67/23/52/1302672352.db2.gz IRAWWWLDHGRLQC-UHFFFAOYSA-N 1 0 331.416 3.106 20 10 EGCDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000043862721 1291465213 /nfs/dbraw/zinc/46/52/13/1291465213.db2.gz PLGFUIPEKICBFU-QGZVFWFLSA-N 1 0 346.519 3.064 20 10 EGCDRO C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000074217408 1292341352 /nfs/dbraw/zinc/34/13/52/1292341352.db2.gz GRGYCDYNHWLBLF-KRWDZBQOSA-N 1 0 329.488 3.168 20 10 EGCDRO CN(C(=O)C1=CC(=O)CS1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000827661631 1292353274 /nfs/dbraw/zinc/35/32/74/1292353274.db2.gz DGDCNPGWXABFDD-UHFFFAOYSA-N 1 0 330.453 3.190 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@]1(C)CO ZINC000827699614 1292356779 /nfs/dbraw/zinc/35/67/79/1292356779.db2.gz JQVMVKXNMXLOLI-IIBYNOLFSA-N 1 0 341.451 3.422 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCCN(C=O)CC2)cc1 ZINC000827868035 1292390183 /nfs/dbraw/zinc/39/01/83/1292390183.db2.gz VHLOFWXAONZKAV-UHFFFAOYSA-N 1 0 343.496 3.049 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000076275405 1292424059 /nfs/dbraw/zinc/42/40/59/1292424059.db2.gz UGKMHMKVWBSYQF-UHFFFAOYSA-N 1 0 336.185 3.173 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](OC)CC3)cc2)CC1 ZINC000828774154 1292496434 /nfs/dbraw/zinc/49/64/34/1292496434.db2.gz FIZMODMZRCOLSQ-IBGZPJMESA-N 1 0 332.488 3.303 20 10 EGCDRO COCC[N@@H+](Cc1cc(Br)cc(OC)c1O)CC(C)C ZINC000092563268 1292874286 /nfs/dbraw/zinc/87/42/86/1292874286.db2.gz UBSNSPRLEQHNJU-UHFFFAOYSA-N 1 0 346.265 3.268 20 10 EGCDRO COCC[N@H+](Cc1ccco1)Cc1cc(Br)ccc1O ZINC000092561348 1292875481 /nfs/dbraw/zinc/87/54/81/1292875481.db2.gz IREWBTSSSYNZQT-UHFFFAOYSA-N 1 0 340.217 3.396 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)cc2)CC1 ZINC000831534844 1292878443 /nfs/dbraw/zinc/87/84/43/1292878443.db2.gz 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UCIHGLSOYDFJDV-MOPGFXCFSA-N 1 0 325.456 3.062 20 10 EGCDRO CC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832293289 1292983656 /nfs/dbraw/zinc/98/36/56/1292983656.db2.gz UCIHGLSOYDFJDV-RTBURBONSA-N 1 0 325.456 3.062 20 10 EGCDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000834535014 1293112785 /nfs/dbraw/zinc/11/27/85/1293112785.db2.gz XJTHCDFHYSXPEP-HOTGVXAUSA-N 1 0 328.460 3.151 20 10 EGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000834547924 1293115702 /nfs/dbraw/zinc/11/57/02/1293115702.db2.gz HYTRNEOCWVIEJD-QGZVFWFLSA-N 1 0 332.488 3.351 20 10 EGCDRO O=C(C1CCC1)N(CCC[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000834640494 1293125466 /nfs/dbraw/zinc/12/54/66/1293125466.db2.gz MVPWMFIGBHRQRI-QGZVFWFLSA-N 1 0 328.456 3.150 20 10 EGCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000834672784 1293131333 /nfs/dbraw/zinc/13/13/33/1293131333.db2.gz JITFFSKUEIMGEQ-WJFTUGDTSA-N 1 0 348.446 3.126 20 10 EGCDRO OC[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)C[C@@H]1c1ccc(F)cc1 ZINC000834783033 1293147130 /nfs/dbraw/zinc/14/71/30/1293147130.db2.gz ARAVJGFQTQVZLG-MBOZVWFJSA-N 1 0 327.399 3.274 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c(C)n1-c1cccc(C)c1 ZINC000834791619 1293149759 /nfs/dbraw/zinc/14/97/59/1293149759.db2.gz PJSKUHQILFXGMZ-IBGZPJMESA-N 1 0 337.467 3.274 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000834860761 1293158744 /nfs/dbraw/zinc/15/87/44/1293158744.db2.gz TZBMSTDCPAFBRX-OAHLLOKOSA-N 1 0 329.419 3.217 20 10 EGCDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834878412 1293161774 /nfs/dbraw/zinc/16/17/74/1293161774.db2.gz COVCXBZPGTUTSQ-KBPBESRZSA-N 1 0 340.895 3.377 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccccc1)c1ccccc1O ZINC000834914056 1293174980 /nfs/dbraw/zinc/17/49/80/1293174980.db2.gz KVNYPRCZJVVRHJ-CRAIPNDOSA-N 1 0 326.440 3.180 20 10 EGCDRO CC1(C)C[C@@H](C[NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000835059345 1293195071 /nfs/dbraw/zinc/19/50/71/1293195071.db2.gz HMRLAWKOEYDFMI-NSHDSACASA-N 1 0 328.250 3.450 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000835071098 1293200191 /nfs/dbraw/zinc/20/01/91/1293200191.db2.gz VDXMHMYAPURUSA-LJQANCHMSA-N 1 0 335.444 3.345 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c1O ZINC000835070713 1293200298 /nfs/dbraw/zinc/20/02/98/1293200298.db2.gz QGYJOHMOIYZKFW-IBGZPJMESA-N 1 0 335.444 3.345 20 10 EGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000133022607 1293735172 /nfs/dbraw/zinc/73/51/72/1293735172.db2.gz ASSLRDNBQFOJCP-INIZCTEOSA-N 1 0 330.815 3.283 20 10 EGCDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000159373272 1294234233 /nfs/dbraw/zinc/23/42/33/1294234233.db2.gz SPOKQFQCDGGKIU-GOSISDBHSA-N 1 0 333.520 3.296 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1OC ZINC000160288505 1294263535 /nfs/dbraw/zinc/26/35/35/1294263535.db2.gz MRJXQFVRDJVZRV-INIZCTEOSA-N 1 0 327.424 3.474 20 10 EGCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164230877 1294345199 /nfs/dbraw/zinc/34/51/99/1294345199.db2.gz SIIRQBAOSTXJQT-HZPDHXFCSA-N 1 0 348.487 3.226 20 10 EGCDRO COc1cc(Br)cc(CN2CCSC[C@H]2C)c1O ZINC000179661838 1294815279 /nfs/dbraw/zinc/81/52/79/1294815279.db2.gz JNAQUYAXQXZHCS-SECBINFHSA-N 1 0 332.263 3.101 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOc2ccc(C#N)cc2)c1 ZINC000182433042 1295047000 /nfs/dbraw/zinc/04/70/00/1295047000.db2.gz KKAYYZREKRMBCO-AWEZNQCLSA-N 1 0 326.396 3.392 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000183529300 1295129291 /nfs/dbraw/zinc/12/92/91/1295129291.db2.gz HVMZFINLKUAYAJ-ZWKOTPCHSA-N 1 0 339.483 3.254 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000184264641 1295184944 /nfs/dbraw/zinc/18/49/44/1295184944.db2.gz AMGYRSZWXYSDAV-UHFFFAOYSA-N 1 0 327.403 3.220 20 10 EGCDRO COc1ccc(O)c(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000190069627 1295560315 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CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000247081369 1296383148 /nfs/dbraw/zinc/38/31/48/1296383148.db2.gz OXOOPSBSSWAJFL-DNVCBOLYSA-N 1 0 346.446 3.372 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@H](C)N1CCOCC1 ZINC000248531754 1296418360 /nfs/dbraw/zinc/41/83/60/1296418360.db2.gz YBXKXJZZBCYSKH-PMPSAXMXSA-N 1 0 332.488 3.031 20 10 EGCDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000255953697 1296581737 /nfs/dbraw/zinc/58/17/37/1296581737.db2.gz DDUAAAKMURSWIO-GJYPPUQNSA-N 1 0 331.504 3.125 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000300417082 1296780987 /nfs/dbraw/zinc/78/09/87/1296780987.db2.gz KHFYOAOLPKNVJY-HUUCEWRRSA-N 1 0 339.277 3.261 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1Cn1cccn1 ZINC000873046476 1297245147 /nfs/dbraw/zinc/24/51/47/1297245147.db2.gz PMFGJRKFTINNAF-LJQANCHMSA-N 1 0 349.434 3.423 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)c2nccs2)cc1Cn1cccn1 ZINC000873104030 1297273008 /nfs/dbraw/zinc/27/30/08/1297273008.db2.gz IVLPNWUMNJQQFO-CQSZACIVSA-N 1 0 342.468 3.290 20 10 EGCDRO C[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCNC(=O)CC3)cc2Cl)C1 ZINC000873121373 1297280140 /nfs/dbraw/zinc/28/01/40/1297280140.db2.gz HVTZZQSKUCMGDU-GOEBONIOSA-N 1 0 349.906 3.335 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1Cn1cccn1 ZINC000873126763 1297283799 /nfs/dbraw/zinc/28/37/99/1297283799.db2.gz CJEGZWVCQSNVHD-GOSISDBHSA-N 1 0 349.434 3.206 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc1C ZINC000873128065 1297286113 /nfs/dbraw/zinc/28/61/13/1297286113.db2.gz BBYHCHKDPIIOJD-GOSISDBHSA-N 1 0 326.440 3.490 20 10 EGCDRO Cc1ncsc1CC[NH2+]Cc1cc(Br)ccc1O ZINC000391187610 1297640211 /nfs/dbraw/zinc/64/02/11/1297640211.db2.gz JKZHNULMZKKYCR-UHFFFAOYSA-N 1 0 327.247 3.252 20 10 EGCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588405029 1298057643 /nfs/dbraw/zinc/05/76/43/1298057643.db2.gz IKNPHEILROSVFF-WWRUEGTHSA-N 1 0 346.471 3.128 20 10 EGCDRO CC(C)[NH+]1CCC(NCc2c(O)cccc2Br)CC1 ZINC000706875241 1298225833 /nfs/dbraw/zinc/22/58/33/1298225833.db2.gz REXMOUGSCXLHDY-UHFFFAOYSA-N 1 0 327.266 3.117 20 10 EGCDRO CN(C)C1(C[NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC000706872007 1298226047 /nfs/dbraw/zinc/22/60/47/1298226047.db2.gz WLYXNBQTUPTOLS-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715719839 1298282856 /nfs/dbraw/zinc/28/28/56/1298282856.db2.gz VEGKXBGNYCJMGC-NSHDSACASA-N 1 0 345.256 3.115 20 10 EGCDRO CCC[NH+]1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715826509 1298288384 /nfs/dbraw/zinc/28/83/84/1298288384.db2.gz IKDLZJQIACEAFO-UHFFFAOYSA-N 1 0 345.256 3.258 20 10 EGCDRO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1O ZINC000875478033 1298353959 /nfs/dbraw/zinc/35/39/59/1298353959.db2.gz WHPUEZNANUHHTJ-ARFHVFGLSA-N 1 0 345.487 3.405 20 10 EGCDRO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C)cc1O ZINC000876511292 1298800590 /nfs/dbraw/zinc/80/05/90/1298800590.db2.gz DBRMWYBBWISGLF-UHFFFAOYSA-N 1 0 328.412 3.170 20 10 EGCDRO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1c(C)cccc1O ZINC000876535485 1298812201 /nfs/dbraw/zinc/81/22/01/1298812201.db2.gz JGJLBYFCNSOVHJ-UHFFFAOYSA-N 1 0 328.412 3.170 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3c(C)cccc3O)CC2)s1 ZINC000876652394 1298897853 /nfs/dbraw/zinc/89/78/53/1298897853.db2.gz OKSSKTNQULHNQE-UHFFFAOYSA-N 1 0 344.480 3.465 20 10 EGCDRO Cc1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c(O)c1 ZINC000876724780 1298939813 /nfs/dbraw/zinc/93/98/13/1298939813.db2.gz INMIPDQRWFLWHH-UHFFFAOYSA-N 1 0 340.452 3.028 20 10 EGCDRO CCN(C[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1)CC(F)(F)F ZINC000876782666 1298983973 /nfs/dbraw/zinc/98/39/73/1298983973.db2.gz RLNAIQFSGGOJMG-CQSZACIVSA-N 1 0 330.394 3.407 20 10 EGCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000876811013 1299006777 /nfs/dbraw/zinc/00/67/77/1299006777.db2.gz FXAAYJOKZQUNOD-CABCVRRESA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000876812534 1299007794 /nfs/dbraw/zinc/00/77/94/1299007794.db2.gz MKJGRDKCZAWVLW-YLJYHZDGSA-N 1 0 327.424 3.025 20 10 EGCDRO OCC1CCN(c2ccc(C[NH2+]CC3CCSCC3)cc2)CC1 ZINC000876966440 1299091864 /nfs/dbraw/zinc/09/18/64/1299091864.db2.gz VNXWRQFQSRXRFR-UHFFFAOYSA-N 1 0 334.529 3.128 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)c(O)c1 ZINC000876990560 1299103527 /nfs/dbraw/zinc/10/35/27/1299103527.db2.gz HRCAHFOSQQYBEP-LJQANCHMSA-N 1 0 344.430 3.003 20 10 EGCDRO Cc1ccc(C[NH2+]CCCCn2cc(Br)cn2)c(O)c1 ZINC000877487443 1299339641 /nfs/dbraw/zinc/33/96/41/1299339641.db2.gz UYCXIJWWSYLGHB-UHFFFAOYSA-N 1 0 338.249 3.230 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000877592539 1299419924 /nfs/dbraw/zinc/41/99/24/1299419924.db2.gz QDHBKHRURIGGRO-UHFFFAOYSA-N 1 0 339.483 3.110 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nc(Cl)cs3)C2)cc1 ZINC000877598382 1299422198 /nfs/dbraw/zinc/42/21/98/1299422198.db2.gz MQEDUXHMFOLZBG-LBPRGKRZSA-N 1 0 337.876 3.421 20 10 EGCDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877643670 1299451241 /nfs/dbraw/zinc/45/12/41/1299451241.db2.gz HKCYHOQBYYLKHN-OAQYLSRUSA-N 1 0 346.515 3.285 20 10 EGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2)C1 ZINC000752940138 1299827159 /nfs/dbraw/zinc/82/71/59/1299827159.db2.gz XHVOFGVKRBXYTO-QGZVFWFLSA-N 1 0 341.499 3.201 20 10 EGCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753531363 1299964228 /nfs/dbraw/zinc/96/42/28/1299964228.db2.gz PFPHGJWFFKPMJH-LJQANCHMSA-N 1 0 340.467 3.497 20 10 EGCDRO CC1(C)CN(Cc2ccc(OCc3ccccc3)cc2O)CC[NH2+]1 ZINC000753531539 1299964740 /nfs/dbraw/zinc/96/47/40/1299964740.db2.gz QCGJMMKOIMVHKG-UHFFFAOYSA-N 1 0 326.440 3.155 20 10 EGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000753572264 1299977444 /nfs/dbraw/zinc/97/74/44/1299977444.db2.gz SZCRKZPFXBMPOO-ZDUSSCGKSA-N 1 0 325.836 3.063 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000756362589 1300475957 /nfs/dbraw/zinc/47/59/57/1300475957.db2.gz JZSFNGUQZZICPL-LSDHHAIUSA-N 1 0 334.460 3.094 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(Br)cc1O ZINC000756380243 1300480239 /nfs/dbraw/zinc/48/02/39/1300480239.db2.gz FNMNNTWEKXOWFU-MEBBXXQBSA-N 1 0 349.228 3.032 20 10 EGCDRO C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418360 1300487173 /nfs/dbraw/zinc/48/71/73/1300487173.db2.gz ARROYLMNFDWBOH-ZNMIVQPWSA-N 1 0 335.448 3.319 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000756430996 1300488063 /nfs/dbraw/zinc/48/80/63/1300488063.db2.gz AOSAFZWBINTCQM-DOMZBBRYSA-N 1 0 346.402 3.290 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756477027 1300501069 /nfs/dbraw/zinc/50/10/69/1300501069.db2.gz WGCUDUTXWUBYIR-OAHLLOKOSA-N 1 0 338.451 3.238 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000756572595 1300524331 /nfs/dbraw/zinc/52/43/31/1300524331.db2.gz GXPDOUXNSKXQLA-INIZCTEOSA-N 1 0 348.487 3.486 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)c2c1c(F)ccc2O ZINC000756575903 1300525437 /nfs/dbraw/zinc/52/54/37/1300525437.db2.gz RDJCGJFWIYZUQV-OCCSQVGLSA-N 1 0 334.435 3.318 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1 ZINC000756707532 1300550101 /nfs/dbraw/zinc/55/01/01/1300550101.db2.gz IMTJYGOMISSIAP-AWEZNQCLSA-N 1 0 346.471 3.233 20 10 EGCDRO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](C)c2ccccc2O)c1C ZINC000879648202 1300647948 /nfs/dbraw/zinc/64/79/48/1300647948.db2.gz DQCUZRQLTPIQJO-GFCCVEGCSA-N 1 0 344.411 3.047 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccccc1O ZINC000879649277 1300648989 /nfs/dbraw/zinc/64/89/89/1300648989.db2.gz OVQBJVMVHUSQEA-HIFRSBDPSA-N 1 0 335.831 3.274 20 10 EGCDRO OC[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]1c1ccc(F)cc1 ZINC000758527175 1300902996 /nfs/dbraw/zinc/90/29/96/1300902996.db2.gz GXWKDLWNECUJON-QUCCMNQESA-N 1 0 327.399 3.016 20 10 EGCDRO COc1cccc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000758633354 1300927858 /nfs/dbraw/zinc/92/78/58/1300927858.db2.gz VIGYPEKFKGKGOM-CQSZACIVSA-N 1 0 341.329 3.243 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1O ZINC000760031357 1301211605 /nfs/dbraw/zinc/21/16/05/1301211605.db2.gz UYSMJAORUGGKQY-LLVKDONJSA-N 1 0 339.844 3.300 20 10 EGCDRO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1(O)CCC1 ZINC000761218410 1301423271 /nfs/dbraw/zinc/42/32/71/1301423271.db2.gz CJGABNYFDHAUSF-UHFFFAOYSA-N 1 0 327.424 3.318 20 10 EGCDRO CN(C)c1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000761221227 1301423426 /nfs/dbraw/zinc/42/34/26/1301423426.db2.gz CCLWBUWKZVLCNY-UHFFFAOYSA-N 1 0 327.472 3.329 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000763546578 1301922288 /nfs/dbraw/zinc/92/22/88/1301922288.db2.gz JHZQGYTXMRKJKA-QGZVFWFLSA-N 1 0 339.395 3.166 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(N(C)C)cc1 ZINC000764861201 1302151967 /nfs/dbraw/zinc/15/19/67/1302151967.db2.gz RWQRFSIYGVFKCV-INIZCTEOSA-N 1 0 335.455 3.243 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764889239 1302159584 /nfs/dbraw/zinc/15/95/84/1302159584.db2.gz KNAZBIOYJHXAMN-LSDHHAIUSA-N 1 0 348.878 3.112 20 10 EGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000882971984 1302188263 /nfs/dbraw/zinc/18/82/63/1302188263.db2.gz ZDWGTLJBMCCHED-INIZCTEOSA-N 1 0 346.421 3.325 20 10 EGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCCCC1 ZINC000765247720 1302227836 /nfs/dbraw/zinc/22/78/36/1302227836.db2.gz CGHIPRQUANKYOY-IRXDYDNUSA-N 1 0 349.494 3.187 20 10 EGCDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765286426 1302237969 /nfs/dbraw/zinc/23/79/69/1302237969.db2.gz LEWQKNQVBAAHRK-LJQANCHMSA-N 1 0 334.504 3.046 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000765286419 1302238363 /nfs/dbraw/zinc/23/83/63/1302238363.db2.gz QLKIVQHJPARJPE-KRWDZBQOSA-N 1 0 349.272 3.338 20 10 EGCDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765386842 1302259490 /nfs/dbraw/zinc/25/94/90/1302259490.db2.gz VZNOGGUKVHZJDY-HNNXBMFYSA-N 1 0 341.455 3.441 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(N2CCOCC2)c1 ZINC000765607304 1302289834 /nfs/dbraw/zinc/28/98/34/1302289834.db2.gz ABSFSYSVQZONPH-INIZCTEOSA-N 1 0 338.451 3.309 20 10 EGCDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000765899424 1302346475 /nfs/dbraw/zinc/34/64/75/1302346475.db2.gz NBPSRYSYWKFFOV-MSOLQXFVSA-N 1 0 332.488 3.381 20 10 EGCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765945946 1302355458 /nfs/dbraw/zinc/35/54/58/1302355458.db2.gz RJWMWVJJIUEUQR-KDOFPFPSSA-N 1 0 340.895 3.378 20 10 EGCDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766479959 1302460530 /nfs/dbraw/zinc/46/05/30/1302460530.db2.gz QEQYOTHARDFZNK-ASFAAARLSA-N 1 0 336.451 3.007 20 10 EGCDRO C[C@]1(C[NH2+]Cc2cc(Br)ccc2O)CCO[C@@H]1C1CC1 ZINC000767194340 1302602835 /nfs/dbraw/zinc/60/28/35/1302602835.db2.gz CONDJEIYUDUUTC-HZPDHXFCSA-N 1 0 340.261 3.450 20 10 EGCDRO COC(=O)/C=C\c1ccc(OCC[N@H+](C)Cc2ccccc2O)cc1 ZINC000767321925 1302639076 /nfs/dbraw/zinc/63/90/76/1302639076.db2.gz KKAGXVFYFJEOIL-XFXZXTDPSA-N 1 0 341.407 3.089 20 10 EGCDRO COC(=O)/C=C/c1ccc(OCC[N@H+](C)Cc2ccccc2O)cc1 ZINC000767321922 1302639373 /nfs/dbraw/zinc/63/93/73/1302639373.db2.gz KKAGXVFYFJEOIL-FMIVXFBMSA-N 1 0 341.407 3.089 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000768249669 1302865492 /nfs/dbraw/zinc/86/54/92/1302865492.db2.gz ZFKXICKDBBBXBG-KRWDZBQOSA-N 1 0 333.476 3.194 20 10 EGCDRO CCOc1cccc(CN2CC[NH+](CCc3cccs3)CC2)c1O ZINC000768357426 1302886672 /nfs/dbraw/zinc/88/66/72/1302886672.db2.gz JVPRKQJUXPTJDF-UHFFFAOYSA-N 1 0 346.496 3.213 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768440895 1302904852 /nfs/dbraw/zinc/90/48/52/1302904852.db2.gz APRGJHKWUJQXPB-HKUYNNGSSA-N 1 0 325.408 3.401 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCN(Cc3cscn3)CC1)CCCC2 ZINC000768444028 1302906886 /nfs/dbraw/zinc/90/68/86/1302906886.db2.gz LWSCHAPYKWTVEB-UHFFFAOYSA-N 1 0 343.496 3.045 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768452129 1302908841 /nfs/dbraw/zinc/90/88/41/1302908841.db2.gz OYILXKHRMUUCFB-OXQOHEQNSA-N 1 0 339.435 3.273 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ncccc3F)CC1)CCCC2 ZINC000768464523 1302911055 /nfs/dbraw/zinc/91/10/55/1302911055.db2.gz AUMFQGOOARYSIK-UHFFFAOYSA-N 1 0 341.430 3.127 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c(O)cc1C ZINC000768466510 1302914169 /nfs/dbraw/zinc/91/41/69/1302914169.db2.gz QWZYHIQOOOEUDP-IBGZPJMESA-N 1 0 340.467 3.416 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)C[C@@H]1CCOC1 ZINC000768520934 1302922972 /nfs/dbraw/zinc/92/29/72/1302922972.db2.gz HUKOAYFDFQIMMI-NSHDSACASA-N 1 0 344.249 3.022 20 10 EGCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769008417 1303031357 /nfs/dbraw/zinc/03/13/57/1303031357.db2.gz XTLUQKXZVKYLHZ-NVXWUHKLSA-N 1 0 349.494 3.409 20 10 EGCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CCO)C2)ccc1N1CCCCC1 ZINC000769333215 1303093762 /nfs/dbraw/zinc/09/37/62/1303093762.db2.gz HKQVLOJWVIGPAH-MRXNPFEDSA-N 1 0 347.459 3.180 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000769340953 1303096984 /nfs/dbraw/zinc/09/69/84/1303096984.db2.gz ZFEYIKKONMRIJX-KRWDZBQOSA-N 1 0 347.459 3.444 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000769382118 1303102546 /nfs/dbraw/zinc/10/25/46/1303102546.db2.gz RKGMAGWMFRLOMG-HXUWFJFHSA-N 1 0 345.414 3.486 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)cc1 ZINC000769427830 1303112271 /nfs/dbraw/zinc/11/22/71/1303112271.db2.gz PLVRZFXEHNFCJB-SFHVURJKSA-N 1 0 330.472 3.308 20 10 EGCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769450945 1303114608 /nfs/dbraw/zinc/11/46/08/1303114608.db2.gz JXYVUVOPDVKQIO-DOTOQJQBSA-N 1 0 347.459 3.320 20 10 EGCDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)c2[O-])C[C@@H]1C ZINC000769469976 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COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)c1O ZINC000894183356 1306265687 /nfs/dbraw/zinc/26/56/87/1306265687.db2.gz OLUPSHWSJBOTDR-UHFFFAOYSA-N 1 0 341.455 3.384 20 10 EGCDRO COc1ccc(COCCC[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894219097 1306284990 /nfs/dbraw/zinc/28/49/90/1306284990.db2.gz FMXALZKIWGLHPM-UHFFFAOYSA-N 1 0 345.439 3.414 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000894256726 1306303867 /nfs/dbraw/zinc/30/38/67/1306303867.db2.gz VGVQFLSADVWVPD-NSHDSACASA-N 1 0 327.384 3.142 20 10 EGCDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894478945 1308913340 /nfs/dbraw/zinc/91/33/40/1308913340.db2.gz GKQUOALFONSUCC-UHFFFAOYSA-N 1 0 347.459 3.081 20 10 EGCDRO c1nnc([C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc2)[nH]1 ZINC000894762827 1309056209 /nfs/dbraw/zinc/05/62/09/1309056209.db2.gz KXWOZJRETAPMBH-GOSISDBHSA-N 1 0 334.423 3.051 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000792991699 1309277548 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EGCDRO C[C@@H](O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1F ZINC000796518084 1310019600 /nfs/dbraw/zinc/01/96/00/1310019600.db2.gz DAFPMENJAZCTRF-OAHLLOKOSA-N 1 0 343.446 3.243 20 10 EGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)s1 ZINC000797140986 1310147114 /nfs/dbraw/zinc/14/71/14/1310147114.db2.gz PGJIEAMZVJXPBP-IJLUTSLNSA-N 1 0 348.472 3.120 20 10 EGCDRO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000897576176 1310390866 /nfs/dbraw/zinc/39/08/66/1310390866.db2.gz ASHKWAYPMHNXJL-INIZCTEOSA-N 1 0 328.460 3.207 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)N(C)C)cc1 ZINC000898448418 1310739788 /nfs/dbraw/zinc/73/97/88/1310739788.db2.gz RURFCYYPDUOAPW-HIFRSBDPSA-N 1 0 330.303 3.139 20 10 EGCDRO CCc1ncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898452092 1310742854 /nfs/dbraw/zinc/74/28/54/1310742854.db2.gz VBHUHHDJLWYJAU-KRWDZBQOSA-N 1 0 332.517 3.164 20 10 EGCDRO Cn1cc(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)s2)cn1 ZINC000800885681 1310827969 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CCC[N@H+](CC(N)=O)Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000814177673 1318690169 /nfs/dbraw/zinc/69/01/69/1318690169.db2.gz LNFVXRTYNCMBMQ-UHFFFAOYSA-N 1 0 339.483 3.410 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(C(F)(F)F)c1 ZINC000814178601 1318692344 /nfs/dbraw/zinc/69/23/44/1318692344.db2.gz WMVOFQBFWZXCAH-KRWDZBQOSA-N 1 0 341.421 3.299 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3sccc3F)C2)cc1C ZINC001022046261 1318777857 /nfs/dbraw/zinc/77/78/57/1318777857.db2.gz HVFRTIVVXHHAQZ-OKILXGFUSA-N 1 0 348.443 3.255 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000815116336 1318897864 /nfs/dbraw/zinc/89/78/64/1318897864.db2.gz JMIZGELLTVLYCD-INIZCTEOSA-N 1 0 344.377 3.070 20 10 EGCDRO CCOC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000815146919 1318911394 /nfs/dbraw/zinc/91/13/94/1318911394.db2.gz LREMTGCFIDFGNF-UHFFFAOYSA-N 1 0 336.451 3.101 20 10 EGCDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000858581641 1328798520 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ZINC000817411475 1319350956 /nfs/dbraw/zinc/35/09/56/1319350956.db2.gz SDNHUOREPHDUFZ-LBPRGKRZSA-N 1 0 330.350 3.107 20 10 EGCDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817585254 1319406027 /nfs/dbraw/zinc/40/60/27/1319406027.db2.gz DLPVCDFQEUJIOR-AWEZNQCLSA-N 1 0 333.451 3.122 20 10 EGCDRO CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817936710 1319464971 /nfs/dbraw/zinc/46/49/71/1319464971.db2.gz QHLYQRZVNCPEEI-OAHLLOKOSA-N 1 0 346.302 3.035 20 10 EGCDRO Nc1ccc(CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000817955496 1319477072 /nfs/dbraw/zinc/47/70/72/1319477072.db2.gz CESSYFDNLVRSPR-UHFFFAOYSA-N 1 0 335.451 3.234 20 10 EGCDRO CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817959452 1319478272 /nfs/dbraw/zinc/47/82/72/1319478272.db2.gz RKFMBKLBQWJQRX-GJZGRUSLSA-N 1 0 339.911 3.201 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)c(F)cc1[O-] ZINC000817976898 1319484390 /nfs/dbraw/zinc/48/43/90/1319484390.db2.gz WNXLIFROJWKDRD-YMTOWFKASA-N 1 0 343.240 3.087 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000817993941 1319487078 /nfs/dbraw/zinc/48/70/78/1319487078.db2.gz ULJZZYONOUXBHI-OAHLLOKOSA-N 1 0 325.456 3.435 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000817993485 1319487230 /nfs/dbraw/zinc/48/72/30/1319487230.db2.gz JMJXKWAKRWTUOS-IBGZPJMESA-N 1 0 339.483 3.437 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000818220841 1319521755 /nfs/dbraw/zinc/52/17/55/1319521755.db2.gz MVRFZUYBZGSAHE-MRXNPFEDSA-N 1 0 341.411 3.220 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CC3CCOCC3)C2)cc1 ZINC000818345985 1319534523 /nfs/dbraw/zinc/53/45/23/1319534523.db2.gz ZFBGSPGMOBYELM-FUHWJXTLSA-N 1 0 332.488 3.316 20 10 EGCDRO CC[N@@H+](Cc1cc(C)cc(OC)c1O)C[C@H]1COc2ccccc2O1 ZINC000915824709 1319543209 /nfs/dbraw/zinc/54/32/09/1319543209.db2.gz HFWIRMVXFUOPQV-INIZCTEOSA-N 1 0 343.423 3.371 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1O ZINC000915831916 1319545226 /nfs/dbraw/zinc/54/52/26/1319545226.db2.gz APMRFLOGUYVDKM-UHFFFAOYSA-N 1 0 329.396 3.112 20 10 EGCDRO CCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000916146168 1319608762 /nfs/dbraw/zinc/60/87/62/1319608762.db2.gz GWGNLVMDDCAKDI-UHFFFAOYSA-N 1 0 340.471 3.093 20 10 EGCDRO O=C(CC[NH2+]Cc1ccc2c(c1)CCO2)Nc1cc(F)cc(F)c1 ZINC000818997198 1319609787 /nfs/dbraw/zinc/60/97/87/1319609787.db2.gz UQZIFWUXCOWOPH-UHFFFAOYSA-N 1 0 332.350 3.018 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1 ZINC000917101247 1319757435 /nfs/dbraw/zinc/75/74/35/1319757435.db2.gz WRKIAOCSTPMXGA-KRWDZBQOSA-N 1 0 325.456 3.308 20 10 EGCDRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000917196914 1319769017 /nfs/dbraw/zinc/76/90/17/1319769017.db2.gz JIYLVMGQBBATAA-HOTGVXAUSA-N 1 0 349.438 3.192 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1O ZINC000819902137 1319797432 /nfs/dbraw/zinc/79/74/32/1319797432.db2.gz BRZJILBGHXMLBB-LJQANCHMSA-N 1 0 331.456 3.490 20 10 EGCDRO C[C@H]1CCC[C@@](CNC(=O)NCc2ccc(N(C)C)cc2)([NH+](C)C)C1 ZINC000918541826 1319972877 /nfs/dbraw/zinc/97/28/77/1319972877.db2.gz NSZJTJDKBAOBKJ-OXJNMPFZSA-N 1 0 346.519 3.062 20 10 EGCDRO Cc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000918701237 1319990815 /nfs/dbraw/zinc/99/08/15/1319990815.db2.gz PUCQPALWNPSVMN-HXUWFJFHSA-N 1 0 339.483 3.473 20 10 EGCDRO CCOC(=O)CN(Cc1ccc(OCC)cc1)Cc1ccccc1O ZINC000822511933 1320091615 /nfs/dbraw/zinc/09/16/15/1320091615.db2.gz OTALGADYBPTGEB-UHFFFAOYSA-N 1 0 343.423 3.356 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[C@@H](C)O1 ZINC000823854997 1320211694 /nfs/dbraw/zinc/21/16/94/1320211694.db2.gz ASTLBQRHRBGCRG-KFZJALRRSA-N 1 0 338.879 3.166 20 10 EGCDRO CCOC(=O)c1cc(C[NH2+]CCCSc2nccs2)[nH]c1C ZINC000823937722 1320216634 /nfs/dbraw/zinc/21/66/34/1320216634.db2.gz HJEUHSXFRYGNFP-UHFFFAOYSA-N 1 0 339.486 3.228 20 10 EGCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000824084773 1320227949 /nfs/dbraw/zinc/22/79/49/1320227949.db2.gz HTNIRZVGCNFNRJ-WBVHZDCISA-N 1 0 331.504 3.303 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)c(O)c1 ZINC000824320850 1320247867 /nfs/dbraw/zinc/24/78/67/1320247867.db2.gz LJYBPAIYLPNNCZ-UHFFFAOYSA-N 1 0 329.396 3.242 20 10 EGCDRO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2cccc(C)c2O)c(OC)c1 ZINC000824733454 1320281854 /nfs/dbraw/zinc/28/18/54/1320281854.db2.gz UWDNSMSKGRETSN-AWEZNQCLSA-N 1 0 345.439 3.447 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824815184 1320288213 /nfs/dbraw/zinc/28/82/13/1320288213.db2.gz JJPQIBGJLZCLGP-BEFAXECRSA-N 1 0 347.459 3.442 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000824861067 1320291633 /nfs/dbraw/zinc/29/16/33/1320291633.db2.gz GMGRLZRCBSHJMM-HNNXBMFYSA-N 1 0 345.292 3.253 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000824914811 1320296139 /nfs/dbraw/zinc/29/61/39/1320296139.db2.gz ZVFIYBPBTGYVLO-CYBMUJFWSA-N 1 0 328.275 3.482 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1O ZINC000825035706 1320305448 /nfs/dbraw/zinc/30/54/48/1320305448.db2.gz PYAQMWDUVCZTRE-RISCZKNCSA-N 1 0 328.250 3.104 20 10 EGCDRO CC[C@H](C[NH2+]Cc1ccc(Br)cc1O)N1CCCC1 ZINC000825103438 1320310810 /nfs/dbraw/zinc/31/08/10/1320310810.db2.gz YEWGGACIIYSRCJ-CQSZACIVSA-N 1 0 327.266 3.119 20 10 EGCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1n1cccn1 ZINC000825118172 1320313158 /nfs/dbraw/zinc/31/31/58/1320313158.db2.gz PZWBWROLQFCFJD-UAGQMJEPSA-N 1 0 333.407 3.015 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000825188338 1320316698 /nfs/dbraw/zinc/31/66/98/1320316698.db2.gz JHOXCAGDYOYMPD-HOCLYGCPSA-N 1 0 329.419 3.090 20 10 EGCDRO CCC(CC)(CCO)C[NH2+]Cc1ccc(Br)cc1O ZINC000825320307 1320327516 /nfs/dbraw/zinc/32/75/16/1320327516.db2.gz IKBGHWPTQFTMGW-UHFFFAOYSA-N 1 0 330.266 3.433 20 10 EGCDRO COc1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934846 1320372364 /nfs/dbraw/zinc/37/23/64/1320372364.db2.gz LKCTZPRLGBWOAD-RDTXWAMCSA-N 1 0 334.504 3.470 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000826122325 1320384845 /nfs/dbraw/zinc/38/48/45/1320384845.db2.gz ZZEDJBBUCRJGHG-CVEARBPZSA-N 1 0 348.240 3.463 20 10 EGCDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000836946677 1320557063 /nfs/dbraw/zinc/55/70/63/1320557063.db2.gz BLJFVPXSBPDOGZ-QGZVFWFLSA-N 1 0 340.471 3.045 20 10 EGCDRO Cc1ccccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146629 1320880110 /nfs/dbraw/zinc/88/01/10/1320880110.db2.gz OWJACTLONJMAEL-UHFFFAOYSA-N 1 0 332.394 3.400 20 10 EGCDRO Fc1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc(F)c1N1CCOCC1 ZINC000839145606 1320880751 /nfs/dbraw/zinc/88/07/51/1320880751.db2.gz QSGLZGFXUCDYEA-QAPCUYQASA-N 1 0 336.426 3.470 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000839197944 1320893090 /nfs/dbraw/zinc/89/30/90/1320893090.db2.gz DWCOOCZUSUPPLR-ZWKOTPCHSA-N 1 0 335.419 3.107 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c1 ZINC000839538360 1320933973 /nfs/dbraw/zinc/93/39/73/1320933973.db2.gz BCNDUDIKYOPDFL-YVEFUNNKSA-N 1 0 326.396 3.005 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000839539392 1320934654 /nfs/dbraw/zinc/93/46/54/1320934654.db2.gz MLMZZUXVFVOEHW-DAYGRLMNSA-N 1 0 346.471 3.233 20 10 EGCDRO COc1cc(C[NH+]2CCC(OCCOC(C)C)CC2)c(O)cc1C ZINC000840143954 1321038423 /nfs/dbraw/zinc/03/84/23/1321038423.db2.gz NNWWIVJYXYFMMK-UHFFFAOYSA-N 1 0 337.460 3.115 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000840555292 1321107416 /nfs/dbraw/zinc/10/74/16/1321107416.db2.gz GYQRHUDNJPMLQD-GOSISDBHSA-N 1 0 345.531 3.374 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000840809380 1321153428 /nfs/dbraw/zinc/15/34/28/1321153428.db2.gz RPRIGCANQLBJSE-RDJZCZTQSA-N 1 0 329.440 3.444 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@](C)(OC)C3CC3)CC2)cc1 ZINC000840858985 1321163619 /nfs/dbraw/zinc/16/36/19/1321163619.db2.gz FQDRZDKIBWGWSF-YWZLYKJASA-N 1 0 332.488 3.457 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840863343 1321164327 /nfs/dbraw/zinc/16/43/27/1321164327.db2.gz HXVQYYONUOVTOU-UKRRQHHQSA-N 1 0 344.411 3.172 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000840908605 1321175506 /nfs/dbraw/zinc/17/55/06/1321175506.db2.gz USIAXUMFRXSMGI-UHFFFAOYSA-N 1 0 325.456 3.089 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000840909921 1321175700 /nfs/dbraw/zinc/17/57/00/1321175700.db2.gz NAPCERPMMTZSLQ-SFHVURJKSA-N 1 0 349.482 3.483 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000840935738 1321181157 /nfs/dbraw/zinc/18/11/57/1321181157.db2.gz BYNUJHIUCUGVFP-UHFFFAOYSA-N 1 0 336.439 3.443 20 10 EGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000840962848 1321188266 /nfs/dbraw/zinc/18/82/66/1321188266.db2.gz GGMIYVCXNHCXLP-BFYDXBDKSA-N 1 0 347.459 3.488 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c1O ZINC000840964852 1321189258 /nfs/dbraw/zinc/18/92/58/1321189258.db2.gz WDUXAYKBAZJDOF-AXFHLTTASA-N 1 0 344.249 3.066 20 10 EGCDRO CC(C)([NH3+])CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841029898 1321203224 /nfs/dbraw/zinc/20/32/24/1321203224.db2.gz CXSSTIGSZKTZLZ-UHFFFAOYSA-N 1 0 340.309 3.266 20 10 EGCDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCc1ccc(N)cc1 ZINC000841034709 1321205100 /nfs/dbraw/zinc/20/51/00/1321205100.db2.gz JTANEVZJEQSWOG-SFHVURJKSA-N 1 0 328.456 3.439 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000841041857 1321207935 /nfs/dbraw/zinc/20/79/35/1321207935.db2.gz FTEFLJGDWBWGGI-SFHVURJKSA-N 1 0 349.425 3.186 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000841045823 1321209549 /nfs/dbraw/zinc/20/95/49/1321209549.db2.gz QYBADTQUNKVUMX-ZBCRRDGASA-N 1 0 329.410 3.463 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841305901 1321251897 /nfs/dbraw/zinc/25/18/97/1321251897.db2.gz DJAAQYKDIZTWME-UHFFFAOYSA-N 1 0 339.439 3.482 20 10 EGCDRO C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000841313764 1321253706 /nfs/dbraw/zinc/25/37/06/1321253706.db2.gz RPSJROIQEDKHKV-LBPRGKRZSA-N 1 0 329.400 3.003 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Cl)cc1O ZINC000841748230 1321306709 /nfs/dbraw/zinc/30/67/09/1321306709.db2.gz JLMKKZGDFNDRSR-SUMWQHHRSA-N 1 0 344.842 3.497 20 10 EGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000841755083 1321307490 /nfs/dbraw/zinc/30/74/90/1321307490.db2.gz HADPCSGZVWLXEC-WBVHZDCISA-N 1 0 338.467 3.374 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1O ZINC000841759526 1321308509 /nfs/dbraw/zinc/30/85/09/1321308509.db2.gz ZGOSEGUPIKUSEP-NSHDSACASA-N 1 0 339.844 3.300 20 10 EGCDRO COCCCC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841893170 1321327905 /nfs/dbraw/zinc/32/79/05/1321327905.db2.gz AYSHAYYKEIOOND-UHFFFAOYSA-N 1 0 335.448 3.444 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1O ZINC000842473457 1321393071 /nfs/dbraw/zinc/39/30/71/1321393071.db2.gz KVCFBFZVRLXRLZ-IAGOWNOFSA-N 1 0 336.863 3.355 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1O ZINC000842473458 1321393361 /nfs/dbraw/zinc/39/33/61/1321393361.db2.gz KVCFBFZVRLXRLZ-IRXDYDNUSA-N 1 0 336.863 3.355 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nccn1Cc1ccccc1 ZINC000843057991 1321463828 /nfs/dbraw/zinc/46/38/28/1321463828.db2.gz JYQOEGKOOIPYIJ-UHFFFAOYSA-N 1 0 332.451 3.343 20 10 EGCDRO C[NH2+]CCN(C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843057461 1321464239 /nfs/dbraw/zinc/46/42/39/1321464239.db2.gz NCHMCZWBVODILI-UHFFFAOYSA-N 1 0 340.309 3.091 20 10 EGCDRO CCOc1cccc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1O ZINC000843421904 1321516442 /nfs/dbraw/zinc/51/64/42/1321516442.db2.gz SDRFWQGBKPZBAY-HXUWFJFHSA-N 1 0 327.424 3.057 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000843487888 1321522276 /nfs/dbraw/zinc/52/22/76/1321522276.db2.gz LEGOQGNACGWXPR-FRQCXROJSA-N 1 0 338.451 3.480 20 10 EGCDRO CC(C)(C)c1ncc(/C=C\C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)s1 ZINC000844199785 1321577896 /nfs/dbraw/zinc/57/78/96/1321577896.db2.gz SZTCXWHITSUQML-CKXPSTMWSA-N 1 0 341.480 3.370 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2OC)c1O ZINC000846056368 1321765086 /nfs/dbraw/zinc/76/50/86/1321765086.db2.gz NLUSGZVLCOVZRJ-CHWSQXEVSA-N 1 0 344.249 3.211 20 10 EGCDRO COc1ccc(COCC[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846147184 1321772250 /nfs/dbraw/zinc/77/22/50/1321772250.db2.gz NRUUEUUTZOESHB-CQSZACIVSA-N 1 0 331.412 3.277 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c1O ZINC000846171471 1321773732 /nfs/dbraw/zinc/77/37/32/1321773732.db2.gz SVUDRCXIXARVHY-KGLIPLIRSA-N 1 0 330.403 3.469 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000846170072 1321773885 /nfs/dbraw/zinc/77/38/85/1321773885.db2.gz VTWBYSPUGZUNFU-RDJZCZTQSA-N 1 0 329.440 3.272 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000846208678 1321776349 /nfs/dbraw/zinc/77/63/49/1321776349.db2.gz KWOJWOWGINMAEL-OAHLLOKOSA-N 1 0 333.451 3.089 20 10 EGCDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000846663254 1321799051 /nfs/dbraw/zinc/79/90/51/1321799051.db2.gz GKWVPDNVKWAYPC-UGSOOPFHSA-N 1 0 345.874 3.326 20 10 EGCDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000847355856 1321865447 /nfs/dbraw/zinc/86/54/47/1321865447.db2.gz IBMXFPQEBSZFFE-ZYSHUDEJSA-N 1 0 344.503 3.130 20 10 EGCDRO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848527129 1321969430 /nfs/dbraw/zinc/96/94/30/1321969430.db2.gz SLKUBLKEXZCVDE-HOCLYGCPSA-N 1 0 326.444 3.033 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848526475 1321969496 /nfs/dbraw/zinc/96/94/96/1321969496.db2.gz YQAYCBUXWSXFAI-NRFANRHFSA-N 1 0 343.515 3.020 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccccc2CN2CCOCC2)c1O ZINC000848891423 1322031339 /nfs/dbraw/zinc/03/13/39/1322031339.db2.gz RYGBUBHLBKICOY-UHFFFAOYSA-N 1 0 340.467 3.077 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000848930368 1322049032 /nfs/dbraw/zinc/04/90/32/1322049032.db2.gz QUOCFHSSHDSYBW-FQEVSTJZSA-N 1 0 345.531 3.220 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000920453856 1322179571 /nfs/dbraw/zinc/17/95/71/1322179571.db2.gz GMDZWKSCVWFKAD-CYBMUJFWSA-N 1 0 333.863 3.427 20 10 EGCDRO COc1cc(C[NH2+]C[C@H](O)c2ccc(C)o2)c(O)c(C(C)(C)C)c1 ZINC000850155667 1322200596 /nfs/dbraw/zinc/20/05/96/1322200596.db2.gz GOSLSBURNRGYFS-INIZCTEOSA-N 1 0 333.428 3.423 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](COC)c2cccc(OC)c2)c1 ZINC000850362191 1322234193 /nfs/dbraw/zinc/23/41/93/1322234193.db2.gz JIITUNQQEFIUKS-GOSISDBHSA-N 1 0 331.412 3.277 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)CN3CCC(C)CC3)CC2)cc1 ZINC000850386454 1322236978 /nfs/dbraw/zinc/23/69/78/1322236978.db2.gz JJAZCMSZMNIHAB-GOSISDBHSA-N 1 0 345.531 3.374 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000850396924 1322237618 /nfs/dbraw/zinc/23/76/18/1322237618.db2.gz RHOOMFBWJCGXJM-QGZVFWFLSA-N 1 0 331.504 3.269 20 10 EGCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406763 1322241042 /nfs/dbraw/zinc/24/10/42/1322241042.db2.gz SNMRLASUKGIIHY-UHFFFAOYSA-N 1 0 340.467 3.255 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c1O ZINC000850412599 1322241353 /nfs/dbraw/zinc/24/13/53/1322241353.db2.gz HBJDNXUKBFOEOW-UHFFFAOYSA-N 1 0 337.322 3.402 20 10 EGCDRO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850425747 1322246043 /nfs/dbraw/zinc/24/60/43/1322246043.db2.gz XBCKBNOXGUQVKF-KRWDZBQOSA-N 1 0 328.485 3.061 20 10 EGCDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(Br)cc1O ZINC000850544950 1322263002 /nfs/dbraw/zinc/26/30/02/1322263002.db2.gz KXTPQSHXBDUXAE-CMPLNLGQSA-N 1 0 328.250 3.214 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000850558853 1322267804 /nfs/dbraw/zinc/26/78/04/1322267804.db2.gz USQYGZIPYFNZRJ-HZPDHXFCSA-N 1 0 331.504 3.440 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1 ZINC000850563472 1322269078 /nfs/dbraw/zinc/26/90/78/1322269078.db2.gz YPTFTNYCZGHXTJ-JXFKEZNVSA-N 1 0 334.504 3.361 20 10 EGCDRO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921564807 1322353695 /nfs/dbraw/zinc/35/36/95/1322353695.db2.gz VQFZOJSSMZLKSH-UHFFFAOYSA-N 1 0 334.423 3.191 20 10 EGCDRO C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000921593068 1322360181 /nfs/dbraw/zinc/36/01/81/1322360181.db2.gz PUESKFQWYIASHY-INIZCTEOSA-N 1 0 340.471 3.296 20 10 EGCDRO c1ccc(N2CCOCC2)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921609320 1322363244 /nfs/dbraw/zinc/36/32/44/1322363244.db2.gz ZNLFZPPIBQWYLQ-UHFFFAOYSA-N 1 0 338.451 3.138 20 10 EGCDRO c1ccc(CN2CCc3cc(C[NH2+]CC4OCCCO4)ccc32)cc1 ZINC000922280975 1322492056 /nfs/dbraw/zinc/49/20/56/1322492056.db2.gz OZJAGHONFYJXID-UHFFFAOYSA-N 1 0 338.451 3.102 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2cc(C3CC3)nn2C)ccc1OC ZINC000922946915 1322656125 /nfs/dbraw/zinc/65/61/25/1322656125.db2.gz CUMAOGQDUKGFNH-UHFFFAOYSA-N 1 0 329.444 3.132 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cc(OC)ccn3)CC2)cc1 ZINC000924907782 1323208317 /nfs/dbraw/zinc/20/83/17/1323208317.db2.gz TWLPPCQGYFAAMC-HNNXBMFYSA-N 1 0 341.455 3.418 20 10 EGCDRO COC(=O)[C@H](c1ccc(Cl)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000852741572 1323234645 /nfs/dbraw/zinc/23/46/45/1323234645.db2.gz VYDWKWCIDXCKJS-SFHVURJKSA-N 1 0 344.842 3.466 20 10 EGCDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925011123 1323244422 /nfs/dbraw/zinc/24/44/22/1323244422.db2.gz KQRRWBKOANBEDC-WMZOPIPTSA-N 1 0 329.488 3.070 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000853094839 1323280470 /nfs/dbraw/zinc/28/04/70/1323280470.db2.gz AZFBWJRGYOHXCH-UHFFFAOYSA-N 1 0 326.318 3.495 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C=C(C)C)C[C@H]32)cc1C ZINC001026184780 1324652588 /nfs/dbraw/zinc/65/25/88/1324652588.db2.gz LBOQZRSLWBOIGQ-IPMKNSEASA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C4(C)CC4)C[C@H]32)cc1C ZINC001026272384 1324697241 /nfs/dbraw/zinc/69/72/41/1324697241.db2.gz HPEBBWIQWHKUQZ-RCCFBDPRSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C=C3CCC3)C2)cc1C ZINC001026771898 1325015530 /nfs/dbraw/zinc/01/55/30/1325015530.db2.gz HVZROPMQOAWYOZ-GOSISDBHSA-N 1 0 328.456 3.052 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2cc(F)ncn2)C1 ZINC000853311273 1325079456 /nfs/dbraw/zinc/07/94/56/1325079456.db2.gz RMGQSUMXBBMBQU-CYBMUJFWSA-N 1 0 336.798 3.051 20 10 EGCDRO C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000854222811 1325230563 /nfs/dbraw/zinc/23/05/63/1325230563.db2.gz KYSBXZLLMZYHSL-SECBINFHSA-N 1 0 331.229 3.216 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCC[NH2+]C2)cc1F ZINC000857002607 1325552540 /nfs/dbraw/zinc/55/25/40/1325552540.db2.gz HAILSGNJQHJTGR-OAHLLOKOSA-N 1 0 335.467 3.068 20 10 EGCDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000927015942 1327821265 /nfs/dbraw/zinc/82/12/65/1327821265.db2.gz HIAVTGDYZRFKIT-HOCLYGCPSA-N 1 0 340.895 3.378 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000862228396 1329468068 /nfs/dbraw/zinc/46/80/68/1329468068.db2.gz BNYOLLSAPYKKSE-NSHDSACASA-N 1 0 336.233 3.257 20 10 EGCDRO Oc1cccc(Br)c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000862318203 1329475257 /nfs/dbraw/zinc/47/52/57/1329475257.db2.gz QBQKPLMRPZPVCZ-CYBMUJFWSA-N 1 0 340.261 3.403 20 10 EGCDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862337730 1329476091 /nfs/dbraw/zinc/47/60/91/1329476091.db2.gz ZJNONUKCTPQOHT-SUNKGSAMSA-N 1 0 328.250 3.136 20 10 EGCDRO Oc1cccc(Br)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000862392150 1329482057 /nfs/dbraw/zinc/48/20/57/1329482057.db2.gz HEWHJXUKEXWGRG-UHFFFAOYSA-N 1 0 348.244 3.324 20 10 EGCDRO C[C@@H]1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)C1(F)F ZINC000862442274 1329487732 /nfs/dbraw/zinc/48/77/32/1329487732.db2.gz HIWGYBOOGONRPY-ZIAGYGMSSA-N 1 0 342.405 3.385 20 10 EGCDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000862476446 1329489486 /nfs/dbraw/zinc/48/94/86/1329489486.db2.gz UKUVLYRVEZGYHS-CQSZACIVSA-N 1 0 328.412 3.216 20 10 EGCDRO Cc1cc(CNC(=O)[C@H]2CCc3cncn3C2)c(C)n1-c1ccccc1 ZINC000863164945 1329531593 /nfs/dbraw/zinc/53/15/93/1329531593.db2.gz XENLHYDKTZBNAD-KRWDZBQOSA-N 1 0 348.450 3.169 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646937 1329570238 /nfs/dbraw/zinc/57/02/38/1329570238.db2.gz SDEAGKIADIXDAH-NVXWUHKLSA-N 1 0 343.437 3.492 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccccc1O)CC(F)F ZINC000865442836 1329697887 /nfs/dbraw/zinc/69/78/87/1329697887.db2.gz UNJZETUGGXKBDS-LBPRGKRZSA-N 1 0 330.375 3.030 20 10 EGCDRO Cc1nc(CC2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)no1 ZINC000932248097 1329800177 /nfs/dbraw/zinc/80/01/77/1329800177.db2.gz ZIWWPUHYWMFTTE-UHFFFAOYSA-N 1 0 328.460 3.207 20 10 EGCDRO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1cc(Cl)ccc1O ZINC000866431597 1330111395 /nfs/dbraw/zinc/11/13/95/1330111395.db2.gz XOZDJBIYCJDOMU-QMMMGPOBSA-N 1 0 344.640 3.392 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cc(Br)ccc1O ZINC000866464837 1330115800 /nfs/dbraw/zinc/11/58/00/1330115800.db2.gz ZAJFQSYEMINPCF-OKTBNZSVSA-N 1 0 342.155 3.117 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@H](O)C(F)(F)F ZINC000866464832 1330115901 /nfs/dbraw/zinc/11/59/01/1330115901.db2.gz ZAJFQSYEMINPCF-CVJICSNFSA-N 1 0 342.155 3.117 20 10 EGCDRO C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1O ZINC000868278144 1330267109 /nfs/dbraw/zinc/26/71/09/1330267109.db2.gz HUQWADAUYHEZAD-CXAGYDPISA-N 1 0 345.418 3.194 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)C(C)C)C2)cc1C ZINC000968792132 1336052465 /nfs/dbraw/zinc/05/24/65/1336052465.db2.gz NAJQMBQMMMKMKD-QGZVFWFLSA-N 1 0 332.488 3.376 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001035057548 1342901133 /nfs/dbraw/zinc/90/11/33/1342901133.db2.gz RRVOJUVNUNEXER-KZNAEPCWSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC3CC3)C[C@@H]2C)cc1C ZINC001035885455 1343248735 /nfs/dbraw/zinc/24/87/35/1343248735.db2.gz IETBLUOQBLLZKP-YJBOKZPZSA-N 1 0 330.472 3.130 20 10 EGCDRO CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001036472284 1343503820 /nfs/dbraw/zinc/50/38/20/1343503820.db2.gz KIKQMMZZLNIWHW-UKRRQHHQSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CC2CCC2)cc1C ZINC001044974042 1346472394 /nfs/dbraw/zinc/47/23/94/1346472394.db2.gz QGWGDKJSWRBKJF-SFHVURJKSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C3(CF)CC3)C2)cc1C ZINC001047970545 1347429153 /nfs/dbraw/zinc/42/91/53/1347429153.db2.gz WTHUFSBSQDFCMC-WBVHZDCISA-N 1 0 348.462 3.080 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C=C(C)C)C[C@H]2C)cc1C ZINC001048125419 1347475491 /nfs/dbraw/zinc/47/54/91/1347475491.db2.gz RUKZPXSGWQQVMT-SJLPKXTDSA-N 1 0 330.472 3.154 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@H]2C)cc1C ZINC001048195112 1347489778 /nfs/dbraw/zinc/48/97/78/1347489778.db2.gz CPMUSQCHZTUKDG-AGRFBSDFSA-N 1 0 342.483 3.154 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]2C)cc1C ZINC001048195115 1347489853 /nfs/dbraw/zinc/48/98/53/1347489853.db2.gz CPMUSQCHZTUKDG-NWLOJRJCSA-N 1 0 342.483 3.154 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3(C)CCC3)C[C@@H]2C)cc1C ZINC001048341664 1347523974 /nfs/dbraw/zinc/52/39/74/1347523974.db2.gz BKQHFSKWDCORLL-WMZOPIPTSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(C)C)CC[C@H]2C)cc1C ZINC001072203337 1355185801 /nfs/dbraw/zinc/18/58/01/1355185801.db2.gz BNJOBCUFSYVZDQ-CRAIPNDOSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001086055861 1358980966 /nfs/dbraw/zinc/98/09/66/1358980966.db2.gz NWQGRIXGSRLYRP-MCWQTJMBSA-N 1 0 342.483 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC34CCC4)C2)cc1C ZINC001086492464 1359117865 /nfs/dbraw/zinc/11/78/65/1359117865.db2.gz AJZOVKPFYYQILQ-BZSNNMDCSA-N 1 0 342.483 3.178 20 10 EGCDRO CC[C@@H]([NH2+]Cc1nnc(C)n1C)c1ccc(C(F)(F)F)cc1O ZINC001324589727 1387689901 /nfs/dbraw/zinc/68/99/01/1387689901.db2.gz WHSQMJKXDPIIKA-GFCCVEGCSA-N 1 0 328.338 3.089 20 10 EGCDRO CCCC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001185523708 1387738143 /nfs/dbraw/zinc/73/81/43/1387738143.db2.gz XTMIPJLETOEDSW-QGZVFWFLSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)CCCF)C3)cc1C ZINC001108744555 1367571186 /nfs/dbraw/zinc/57/11/86/1367571186.db2.gz HAGWFHJQUFOEBU-BZSNNMDCSA-N 1 0 348.462 3.222 20 10 EGCDRO C[C@H]1CCc2nc(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)sc2C1 ZINC001325319528 1387933160 /nfs/dbraw/zinc/93/31/60/1387933160.db2.gz LGSKPNCTOQATPL-BBRMVZONSA-N 1 0 344.528 3.124 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCc3ccccc3)CC2)c(OC)c1 ZINC001201671711 1369602992 /nfs/dbraw/zinc/60/29/92/1369602992.db2.gz MBZSEDWIMKOEIV-UHFFFAOYSA-N 1 0 340.467 3.459 20 10 EGCDRO Oc1ccccc1C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC001203551708 1370166749 /nfs/dbraw/zinc/16/67/49/1370166749.db2.gz LFBBRTVIQWBULN-UHFFFAOYSA-N 1 0 347.256 3.477 20 10 EGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001203562002 1370170458 /nfs/dbraw/zinc/17/04/58/1370170458.db2.gz APJWJYZDNCLPLR-HXUWFJFHSA-N 1 0 340.467 3.115 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c1O ZINC001203601656 1370183787 /nfs/dbraw/zinc/18/37/87/1370183787.db2.gz FMTSCGGGUGEDNV-INIZCTEOSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)c(C)c1 ZINC001203601563 1370184049 /nfs/dbraw/zinc/18/40/49/1370184049.db2.gz AHVDCDPMBQBIRZ-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c1O ZINC001203615233 1370189056 /nfs/dbraw/zinc/18/90/56/1370189056.db2.gz 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1370211159 /nfs/dbraw/zinc/21/11/59/1370211159.db2.gz QXUSKJSVWASJKY-MJGOQNOKSA-N 1 0 341.407 3.137 20 10 EGCDRO COc1ccc(O)c(CN2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC001203677944 1370213995 /nfs/dbraw/zinc/21/39/95/1370213995.db2.gz BLHUUBWEWCEGDN-UHFFFAOYSA-N 1 0 340.467 3.497 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](CCOC)C2CCN(C)CC2)cc1 ZINC001203938995 1370322799 /nfs/dbraw/zinc/32/27/99/1370322799.db2.gz IBXPJTKSZLNBIO-UHFFFAOYSA-N 1 0 333.520 3.075 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c2ccccc21 ZINC001204240997 1370418963 /nfs/dbraw/zinc/41/89/63/1370418963.db2.gz QBAHXQFEUMIPKO-QGZVFWFLSA-N 1 0 348.450 3.349 20 10 EGCDRO COc1cccc(OC)c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001204253532 1370421975 /nfs/dbraw/zinc/42/19/75/1370421975.db2.gz RWEIPYZLMDXPRK-UHFFFAOYSA-N 1 0 329.396 3.063 20 10 EGCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204275488 1370428959 /nfs/dbraw/zinc/42/89/59/1370428959.db2.gz SQYQCOKIEHRVGD-GOSISDBHSA-N 1 0 329.396 3.150 20 10 EGCDRO 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EGCDRO Cc1cc(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139674348 1377931214 /nfs/dbraw/zinc/93/12/14/1377931214.db2.gz VLNOFLWAKLQDOS-UHFFFAOYSA-N 1 0 347.503 3.408 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)ccc1N(C)C ZINC001139674217 1377931467 /nfs/dbraw/zinc/93/14/67/1377931467.db2.gz PLNMODCSXFYWGX-UHFFFAOYSA-N 1 0 343.515 3.284 20 10 EGCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139673222 1377931635 /nfs/dbraw/zinc/93/16/35/1377931635.db2.gz DHJZYAFHFVRDKG-UHFFFAOYSA-N 1 0 338.451 3.406 20 10 EGCDRO Cc1cnc(O[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)nc1 ZINC001139673503 1377931784 /nfs/dbraw/zinc/93/17/84/1377931784.db2.gz DEDNQINMVTYTRU-SFHVURJKSA-N 1 0 340.471 3.203 20 10 EGCDRO O=C1Cc2ccccc2N1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055171 1377996831 /nfs/dbraw/zinc/99/68/31/1377996831.db2.gz AACUEORLFYZVRH-UHFFFAOYSA-N 1 0 340.398 3.085 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC001140182723 1378027000 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COc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)cc1 ZINC001140461906 1378066517 /nfs/dbraw/zinc/06/65/17/1378066517.db2.gz XIQBFCMZKVJEFN-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO Cc1cncnc1OC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464097 1378066975 /nfs/dbraw/zinc/06/69/75/1378066975.db2.gz BNFDLJGIVDOSQB-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273284427 1378094689 /nfs/dbraw/zinc/09/46/89/1378094689.db2.gz IELVEVTVVSSORP-MRXNPFEDSA-N 1 0 334.435 3.050 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)c1 ZINC001140620684 1378099534 /nfs/dbraw/zinc/09/95/34/1378099534.db2.gz XYNAMMZBYNLSQO-UHFFFAOYSA-N 1 0 336.439 3.153 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)c1 ZINC001140623399 1378100245 /nfs/dbraw/zinc/10/02/45/1378100245.db2.gz QHYQTABZEFHFMT-GOEBONIOSA-N 1 0 334.460 3.436 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001140663737 1378108546 /nfs/dbraw/zinc/10/85/46/1378108546.db2.gz 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CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c(O)c1 ZINC001140850666 1378158237 /nfs/dbraw/zinc/15/82/37/1378158237.db2.gz PWUWNUJIRICJRW-MRXNPFEDSA-N 1 0 344.459 3.309 20 10 EGCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855992 1378159357 /nfs/dbraw/zinc/15/93/57/1378159357.db2.gz ODQFCXYGWZDNIM-KRWDZBQOSA-N 1 0 348.487 3.404 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c(O)c1 ZINC001140856684 1378159818 /nfs/dbraw/zinc/15/98/18/1378159818.db2.gz GQYVAQDBIFVETH-MRXNPFEDSA-N 1 0 344.459 3.309 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)[C@@H]2C)c(O)c1 ZINC001140855819 1378159869 /nfs/dbraw/zinc/15/98/69/1378159869.db2.gz LCLWKQGZCMAWJJ-WMLDXEAASA-N 1 0 334.460 3.012 20 10 EGCDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(N(C)C)cc3Cl)C[C@@H]2C)C1=O ZINC001140925007 1378181821 /nfs/dbraw/zinc/18/18/21/1378181821.db2.gz YLBLBDQUNCOYDH-LIRRHRJNSA-N 1 0 349.906 3.096 20 10 EGCDRO Cc1cncnc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925846 1378183095 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3.004 20 10 EGCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078147 1378234364 /nfs/dbraw/zinc/23/43/64/1378234364.db2.gz MONXJEFFSDQKEO-MRXNPFEDSA-N 1 0 342.483 3.161 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141157206 1378253245 /nfs/dbraw/zinc/25/32/45/1378253245.db2.gz CXLQZAOTQRCYAE-UHFFFAOYSA-N 1 0 329.396 3.053 20 10 EGCDRO Oc1ccc(O)c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161321 1378254751 /nfs/dbraw/zinc/25/47/51/1378254751.db2.gz DRNQXJUVBAVPLP-MJGOQNOKSA-N 1 0 338.451 3.052 20 10 EGCDRO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001141161911 1378255029 /nfs/dbraw/zinc/25/50/29/1378255029.db2.gz HLGHJUKLUKJDOX-UHFFFAOYSA-N 1 0 343.423 3.454 20 10 EGCDRO COc1cccc([C@H]2CSCC[N@@H+]2Cc2cc(O)ccc2O)c1 ZINC001141163312 1378256490 /nfs/dbraw/zinc/25/64/90/1378256490.db2.gz ZLRGMYNYHOINCS-QGZVFWFLSA-N 1 0 331.437 3.397 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001142531441 1378454370 /nfs/dbraw/zinc/45/43/70/1378454370.db2.gz XPNYTAVSQNAVRV-BEFAXECRSA-N 1 0 344.405 3.377 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC001143103595 1378541046 /nfs/dbraw/zinc/54/10/46/1378541046.db2.gz GKAVNSPCLZCQOF-INIZCTEOSA-N 1 0 331.378 3.436 20 10 EGCDRO COc1ncnc2c1CC[N@H+](Cc1cccc(C(C)(C)C)c1O)CC2 ZINC001143108146 1378542464 /nfs/dbraw/zinc/54/24/64/1378542464.db2.gz KFROIGLXVTWZGV-UHFFFAOYSA-N 1 0 341.455 3.089 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c1O ZINC001143116822 1378543400 /nfs/dbraw/zinc/54/34/00/1378543400.db2.gz LOPVZQSWTBGHNX-OAHLLOKOSA-N 1 0 327.428 3.133 20 10 EGCDRO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144516467 1378739752 /nfs/dbraw/zinc/73/97/52/1378739752.db2.gz ZBKQJEBHZSIXCN-INIZCTEOSA-N 1 0 329.396 3.287 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]([NH3+])c1ccccc1 ZINC001157431890 1380890821 /nfs/dbraw/zinc/89/08/21/1380890821.db2.gz AUNAHZNTBXFYND-IEBWSBKVSA-N 1 0 338.451 3.449 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC001157435015 1380892876 /nfs/dbraw/zinc/89/28/76/1380892876.db2.gz QWAJZHHOMADCMC-POHZPAGDSA-N 1 0 330.472 3.137 20 10 EGCDRO CCN(C(=O)c1cc(-n2c(C)ccc2C)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001161345055 1382377528 /nfs/dbraw/zinc/37/75/28/1382377528.db2.gz DINBBIXKQADTIC-QGZVFWFLSA-N 1 0 341.455 3.014 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3(C)C)CC2)cc1C ZINC001164126286 1383158874 /nfs/dbraw/zinc/15/88/74/1383158874.db2.gz SSKPESCNMCUVFV-KRWDZBQOSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CC[C@H](C)C2)cc1C ZINC001164172278 1383162572 /nfs/dbraw/zinc/16/25/72/1383162572.db2.gz UXKIRUCHCCOUDQ-RDJZCZTQSA-N 1 0 332.488 3.426 20 10 EGCDRO Oc1cc(Br)ccc1CN1CCOC[C@H]1C1CCC1 ZINC001328762547 1388847425 /nfs/dbraw/zinc/84/74/25/1388847425.db2.gz NMGDQNDILYRCFX-AWEZNQCLSA-N 1 0 326.234 3.156 20 10 EGCDRO C[C@H]1CCCCN1c1cccc(NCCc2cc(O)c(O)cc2O)[nH+]1 ZINC001168008617 1383795753 /nfs/dbraw/zinc/79/57/53/1383795753.db2.gz CGHPTYXWRQDJOV-ZDUSSCGKSA-N 1 0 343.427 3.232 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1C(=O)OC(C)(C)C ZINC001168812656 1384015803 /nfs/dbraw/zinc/01/58/03/1384015803.db2.gz RUWDOTOVSFKLLL-CJNGLKHVSA-N 1 0 332.444 3.109 20 10 EGCDRO C[C@H]1C[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CN1C(=O)OC(C)(C)C ZINC001168872650 1384041967 /nfs/dbraw/zinc/04/19/67/1384041967.db2.gz NXGOJEXWRBUXAA-DZGCQCFKSA-N 1 0 332.444 3.148 20 10 EGCDRO CSCC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C)C(=O)N(C)C ZINC001328970975 1388912335 /nfs/dbraw/zinc/91/23/35/1388912335.db2.gz DAXCZTJPZMMAIT-MELADBBJSA-N 1 0 336.501 3.048 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C2(C)CC(F)(F)C2)cc1C ZINC001170903094 1384407889 /nfs/dbraw/zinc/40/78/89/1384407889.db2.gz NAVAPZXGAXEAII-UHFFFAOYSA-N 1 0 340.414 3.035 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@H](C)CC2)cc1C ZINC001171667445 1384596068 /nfs/dbraw/zinc/59/60/68/1384596068.db2.gz IOMBJHAUDWOSLG-RZDIXWSQSA-N 1 0 332.488 3.426 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172166068 1384740821 /nfs/dbraw/zinc/74/08/21/1384740821.db2.gz MJWDCRVWTACOEP-MDOVXXIYSA-N 1 0 342.483 3.375 20 10 EGCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(O)cc1O)CC2 ZINC001172912303 1384875906 /nfs/dbraw/zinc/87/59/06/1384875906.db2.gz NBYJWKJSMZMGSU-HNNXBMFYSA-N 1 0 328.368 3.043 20 10 EGCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Br)CCCC[C@@H]1O ZINC001329141983 1388987109 /nfs/dbraw/zinc/98/71/09/1388987109.db2.gz UBYDZPYQALGMNN-GJZGRUSLSA-N 1 0 328.250 3.186 20 10 EGCDRO CC(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001176795856 1385702809 /nfs/dbraw/zinc/70/28/09/1385702809.db2.gz CLOKOSDKHKVRPC-AWEZNQCLSA-N 1 0 347.463 3.383 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)CCc2ccc(C)o2)cc1C ZINC001176912159 1385740184 /nfs/dbraw/zinc/74/01/84/1385740184.db2.gz YHCQIRKPMOAUKJ-UHFFFAOYSA-N 1 0 344.455 3.134 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H](C)C1 ZINC001318652751 1385817053 /nfs/dbraw/zinc/81/70/53/1385817053.db2.gz XSMKZYUWGICTBS-VQFNDLOPSA-N 1 0 333.495 3.492 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC(F)F)[C@H]2C)cc1C ZINC001179171153 1386416596 /nfs/dbraw/zinc/41/65/96/1386416596.db2.gz XIOGLGGAMBIYRA-ZFWWWQNUSA-N 1 0 340.414 3.128 20 10 EGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1O ZINC001320070430 1386490466 /nfs/dbraw/zinc/49/04/66/1386490466.db2.gz JHUBPEHXRPUPQI-SNVBAGLBSA-N 1 0 344.249 3.365 20 10 EGCDRO COC(=O)N1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC001320493652 1386625993 /nfs/dbraw/zinc/62/59/93/1386625993.db2.gz DGWUNCBEKDZHIA-UHFFFAOYSA-N 1 0 340.423 3.333 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCC1 ZINC001180586964 1386842546 /nfs/dbraw/zinc/84/25/46/1386842546.db2.gz WJSVLVONEIMUAZ-KBXCAEBGSA-N 1 0 330.472 3.233 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001322121977 1387064344 /nfs/dbraw/zinc/06/43/44/1387064344.db2.gz QNWBSBIDOBYCRJ-HYVNUMGLSA-N 1 0 333.472 3.264 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(C)CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C)cc1C ZINC001182251010 1387131661 /nfs/dbraw/zinc/13/16/61/1387131661.db2.gz UPDYJQDCXZPEOQ-DJXDEVDJSA-N 1 0 344.499 3.234 20 10 EGCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC001322333449 1387161240 /nfs/dbraw/zinc/16/12/40/1387161240.db2.gz HYTOPSKZRYHUBJ-UWVAXJGDSA-N 1 0 330.472 3.055 20 10 EGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC001336225745 1389041210 /nfs/dbraw/zinc/04/12/10/1389041210.db2.gz PZVFGQBMHREARY-KRWDZBQOSA-N 1 0 346.862 3.024 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1Cl ZINC001333906989 1390435194 /nfs/dbraw/zinc/43/51/94/1390435194.db2.gz DLKYHNFDRBYFEG-BBRMVZONSA-N 1 0 335.835 3.097 20 10 EGCDRO COCn1ncc(C)c1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC001343078366 1390689800 /nfs/dbraw/zinc/68/98/00/1390689800.db2.gz UXZALWYCEBNXAC-UHFFFAOYSA-N 1 0 338.455 3.493 20 10 EGCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCN1C1CCCCC1 ZINC001350427834 1391463137 /nfs/dbraw/zinc/46/31/37/1391463137.db2.gz BZDGURHHFJFRSD-HXUWFJFHSA-N 1 0 341.499 3.310 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2(C(F)F)CC2)cc1C ZINC001753005448 1440265694 /nfs/dbraw/zinc/26/56/94/1440265694.db2.gz NCUQYHXFLDCJDC-CYBMUJFWSA-N 1 0 340.414 3.033 20 10 EGCDRO CC[C@@H](C)C[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001753845297 1440504186 /nfs/dbraw/zinc/50/41/86/1440504186.db2.gz JAMAEOAEONFGNZ-CZUORRHYSA-N 1 0 347.463 3.239 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2(C)CC=CC2)cc1C ZINC001754166190 1440546571 /nfs/dbraw/zinc/54/65/71/1440546571.db2.gz GWJDDUULUMEMBO-SREVYHEPSA-N 1 0 328.456 3.122 20 10 EGCDRO C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001754297014 1440566519 /nfs/dbraw/zinc/56/65/19/1440566519.db2.gz AKFBYWOUHOTODX-ZDUSSCGKSA-N 1 0 345.447 3.137 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cccc(F)c2)cc1C ZINC001755224071 1440785432 /nfs/dbraw/zinc/78/54/32/1440785432.db2.gz PRSHPOXKQINALO-GJZGRUSLSA-N 1 0 344.430 3.439 20 10 EGCDRO CC[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001755567091 1440875976 /nfs/dbraw/zinc/87/59/76/1440875976.db2.gz HRNBALRXUQRDBO-QRQLOZEOSA-N 1 0 344.499 3.376 20 10 EGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC=CC1 ZINC000158066075 455265490 /nfs/dbraw/zinc/26/54/90/455265490.db2.gz IISSURDMRRDMIF-INIZCTEOSA-N 1 0 334.847 3.092 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000007216283 453044991 /nfs/dbraw/zinc/04/49/91/453044991.db2.gz WPXVAPYNXOWXIO-QGZVFWFLSA-N 1 0 343.496 3.267 20 10 EGCDRO COc1cc(C)c(C[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1OC ZINC000008104062 453161009 /nfs/dbraw/zinc/16/10/09/453161009.db2.gz HMPFNHFXWRQTIT-UHFFFAOYSA-N 1 0 345.395 3.079 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090061499 454270188 /nfs/dbraw/zinc/27/01/88/454270188.db2.gz VEQUYLDIRZCKTH-OAHLLOKOSA-N 1 0 329.444 3.125 20 10 EGCDRO COCCC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000090537244 454318814 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CC(C)COCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163290360 454836548 /nfs/dbraw/zinc/83/65/48/454836548.db2.gz VLONNHVUWMNGCK-MRXNPFEDSA-N 1 0 338.467 3.376 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000125710897 454841156 /nfs/dbraw/zinc/84/11/56/454841156.db2.gz ZNFFBIKBAXLWKT-HNNXBMFYSA-N 1 0 346.496 3.148 20 10 EGCDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1O)OCO3)CCC2 ZINC000111173224 454858110 /nfs/dbraw/zinc/85/81/10/454858110.db2.gz IOSQAHGQGKXIIP-ZDUSSCGKSA-N 1 0 332.425 3.395 20 10 EGCDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000111236039 454859312 /nfs/dbraw/zinc/85/93/12/454859312.db2.gz WWUWDMGMOSVGES-MRXNPFEDSA-N 1 0 326.440 3.180 20 10 EGCDRO C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]([NH3+])c1ccccc1 ZINC000166475472 454912520 /nfs/dbraw/zinc/91/25/20/454912520.db2.gz JZSURTAPMDFROE-FOIQADDNSA-N 1 0 337.467 3.021 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000177858972 454913878 /nfs/dbraw/zinc/91/38/78/454913878.db2.gz VOXCEFWTYJTBOO-SFHVURJKSA-N 1 0 346.519 3.016 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000182323882 455489116 /nfs/dbraw/zinc/48/91/16/455489116.db2.gz AAUWARXJKQWTGW-RDTXWAMCSA-N 1 0 340.423 3.165 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000178579902 454962662 /nfs/dbraw/zinc/96/26/62/454962662.db2.gz JBYIZDNWKJMWMM-CQSZACIVSA-N 1 0 331.847 3.168 20 10 EGCDRO COc1ccc(C(=O)C2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000179558389 455058065 /nfs/dbraw/zinc/05/80/65/455058065.db2.gz WHBZWRLBFFBEOE-UHFFFAOYSA-N 1 0 325.408 3.496 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000179674322 455065778 /nfs/dbraw/zinc/06/57/78/455065778.db2.gz LAJUYUHZCPNLFE-UHFFFAOYSA-N 1 0 342.414 3.188 20 10 EGCDRO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000179921983 455100064 /nfs/dbraw/zinc/10/00/64/455100064.db2.gz XDAQCTCGZALTTO-UHFFFAOYSA-N 1 0 346.377 3.019 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)cc1 ZINC000180328922 455158418 /nfs/dbraw/zinc/15/84/18/455158418.db2.gz GCKMNIBLTBMOJE-UHFFFAOYSA-N 1 0 331.504 3.223 20 10 EGCDRO COc1cccc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)c1O ZINC000237391357 455181204 /nfs/dbraw/zinc/18/12/04/455181204.db2.gz JBJHMKFAKOFDMK-UHFFFAOYSA-N 1 0 337.423 3.493 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@H]2CCO)c1O ZINC000190306390 455296160 /nfs/dbraw/zinc/29/61/60/455296160.db2.gz KPPFSEILTOTLGE-FZMZJTMJSA-N 1 0 328.250 3.104 20 10 EGCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccccc2O)c(OC)c1OC ZINC000183487220 455298680 /nfs/dbraw/zinc/29/86/80/455298680.db2.gz PZBVTNUHNLZKHL-ZDUSSCGKSA-N 1 0 331.412 3.311 20 10 EGCDRO COc1cccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1O ZINC000174648276 455408807 /nfs/dbraw/zinc/40/88/07/455408807.db2.gz GFHRAXVYPJGOMF-UHFFFAOYSA-N 1 0 331.387 3.335 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)cc1 ZINC000265948060 455412340 /nfs/dbraw/zinc/41/23/40/455412340.db2.gz SSIUUXQDYJWSKS-UHFFFAOYSA-N 1 0 336.439 3.477 20 10 EGCDRO CO[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000266156599 455424022 /nfs/dbraw/zinc/42/40/22/455424022.db2.gz MAKSETDHZSWINS-QGZVFWFLSA-N 1 0 335.787 3.252 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000184710104 455434060 /nfs/dbraw/zinc/43/40/60/455434060.db2.gz PEWLMCBDRSTFMU-XJKSGUPXSA-N 1 0 343.876 3.199 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c(O)c1 ZINC000185033481 455488887 /nfs/dbraw/zinc/48/88/87/455488887.db2.gz LMZBYKROWQCWHM-HZPDHXFCSA-N 1 0 341.455 3.172 20 10 EGCDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185048408 455492271 /nfs/dbraw/zinc/49/22/71/455492271.db2.gz CSQJJQHABQCIGQ-AWEZNQCLSA-N 1 0 342.439 3.391 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000246509211 455504079 /nfs/dbraw/zinc/50/40/79/455504079.db2.gz IBZPWEMWGOSHGS-IFXJQAMLSA-N 1 0 346.446 3.183 20 10 EGCDRO CC[N@H+](Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1)C(C)C ZINC000182529670 455534117 /nfs/dbraw/zinc/53/41/17/455534117.db2.gz MDBYEVHDPCSOAS-UHFFFAOYSA-N 1 0 342.439 3.258 20 10 EGCDRO Cc1cc(N2CCC([NH2+]Cc3c(O)cccc3Cl)CC2)nc(C)n1 ZINC000267382117 455550132 /nfs/dbraw/zinc/55/01/32/455550132.db2.gz AXFJJSNPNSKOHX-UHFFFAOYSA-N 1 0 346.862 3.211 20 10 EGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185449989 455559418 /nfs/dbraw/zinc/55/94/18/455559418.db2.gz IBQXUJNJEKRPAT-OAHLLOKOSA-N 1 0 332.488 3.032 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1OC ZINC000182783470 455586107 /nfs/dbraw/zinc/58/61/07/455586107.db2.gz LACDXWGBCWGZIM-INIZCTEOSA-N 1 0 347.386 3.202 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000283916181 455612345 /nfs/dbraw/zinc/61/23/45/455612345.db2.gz INIXUMNBHKTITC-CQSZACIVSA-N 1 0 333.453 3.345 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185966970 455664357 /nfs/dbraw/zinc/66/43/57/455664357.db2.gz KMSWWPKFMXAKIB-LBPRGKRZSA-N 1 0 332.375 3.219 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000185979823 455667845 /nfs/dbraw/zinc/66/78/45/455667845.db2.gz KPCKOUMHRHVABJ-QWHCGFSZSA-N 1 0 338.448 3.355 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c(O)c1 ZINC000186019411 455676534 /nfs/dbraw/zinc/67/65/34/455676534.db2.gz NUABLCHOETTYIA-KRWDZBQOSA-N 1 0 332.488 3.386 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000186019169 455676823 /nfs/dbraw/zinc/67/68/23/455676823.db2.gz SRRKCDCPGLFHKQ-QGZVFWFLSA-N 1 0 332.488 3.386 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)N(C)C)c1 ZINC000192865495 455708242 /nfs/dbraw/zinc/70/82/42/455708242.db2.gz NIXNCWYHKCKCSL-LIRRHRJNSA-N 1 0 344.455 3.363 20 10 EGCDRO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000268841069 455715651 /nfs/dbraw/zinc/71/56/51/455715651.db2.gz HTWBEPXUXMJKKR-YFHUEUNASA-N 1 0 349.494 3.012 20 10 EGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268911107 455726634 /nfs/dbraw/zinc/72/66/34/455726634.db2.gz NDADQYCRIVMFDJ-JLTOFOAXSA-N 1 0 344.455 3.154 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000186358089 455750639 /nfs/dbraw/zinc/75/06/39/455750639.db2.gz SBTHEZJRSPVZAW-PCVOSPCESA-N 1 0 342.439 3.277 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)cc1F ZINC000292925482 455766625 /nfs/dbraw/zinc/76/66/25/455766625.db2.gz HMBGEPBOZVOEQC-UHFFFAOYSA-N 1 0 340.393 3.423 20 10 EGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000186466323 455774906 /nfs/dbraw/zinc/77/49/06/455774906.db2.gz JLKZKKXMQHHNLQ-HIFRSBDPSA-N 1 0 328.412 3.427 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000271841927 455784067 /nfs/dbraw/zinc/78/40/67/455784067.db2.gz QKZJUVZRFGPSED-HOCLYGCPSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000293710452 455795172 /nfs/dbraw/zinc/79/51/72/455795172.db2.gz LWOKZONABGUANC-HNNXBMFYSA-N 1 0 333.453 3.134 20 10 EGCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293932034 455800797 /nfs/dbraw/zinc/80/07/97/455800797.db2.gz XXUNQQMOBAYLOJ-RDTXWAMCSA-N 1 0 345.439 3.410 20 10 EGCDRO Cc1cc(C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)ccc1N(C)C ZINC000294121786 455805744 /nfs/dbraw/zinc/80/57/44/455805744.db2.gz NLCXDOGTXZOBHV-LJQANCHMSA-N 1 0 325.456 3.110 20 10 EGCDRO COC[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000294214037 455808595 /nfs/dbraw/zinc/80/85/95/455808595.db2.gz MVUQWOIWIFNGKS-HNNXBMFYSA-N 1 0 328.250 3.322 20 10 EGCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294669653 455824079 /nfs/dbraw/zinc/82/40/79/455824079.db2.gz ALRIYKSXQDNYQC-FPTDNZKUSA-N 1 0 336.526 3.241 20 10 EGCDRO C=Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000194344481 455831533 /nfs/dbraw/zinc/83/15/33/455831533.db2.gz HNJOMACNFQLAQT-HNNXBMFYSA-N 1 0 348.397 3.344 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C[C@H](C)O)cc2)CC1 ZINC000294946706 455833451 /nfs/dbraw/zinc/83/34/51/455833451.db2.gz LRYJVKIILOJJMK-QFBILLFUSA-N 1 0 332.488 3.037 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000278407075 455835166 /nfs/dbraw/zinc/83/51/66/455835166.db2.gz PCYRSTDJYCPZJT-SWLSCSKDSA-N 1 0 334.357 3.027 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000278782300 455848660 /nfs/dbraw/zinc/84/86/60/455848660.db2.gz PVJZUXRBBPKKOZ-QGZVFWFLSA-N 1 0 339.794 3.407 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)cc(OC)c1OC ZINC000296019819 455866754 /nfs/dbraw/zinc/86/67/54/455866754.db2.gz PIRMSXYGDNJKNF-AWEZNQCLSA-N 1 0 329.396 3.195 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCn2ccnc2)c(C(F)(F)F)c1 ZINC000280096212 455891131 /nfs/dbraw/zinc/89/11/31/455891131.db2.gz ZOYGGFYGUTUWIA-UHFFFAOYSA-N 1 0 326.366 3.148 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccc(C)cc1O ZINC000280113373 455894996 /nfs/dbraw/zinc/89/49/96/455894996.db2.gz NTKQRHJDFMRACJ-GOSISDBHSA-N 1 0 343.423 3.493 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CCO)c2ccco2)c1O ZINC000187529789 455922182 /nfs/dbraw/zinc/92/21/82/455922182.db2.gz KRIQGAHUKFAQME-CYBMUJFWSA-N 1 0 340.217 3.269 20 10 EGCDRO CN(c1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1)C1CCCCC1 ZINC000270335862 455931753 /nfs/dbraw/zinc/93/17/53/455931753.db2.gz MZKXJZQKQXAFTJ-SFHVURJKSA-N 1 0 343.515 3.461 20 10 EGCDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280304042 455941261 /nfs/dbraw/zinc/94/12/61/455941261.db2.gz OHGDFQZMGYMMGO-SAHAZLINSA-N 1 0 336.423 3.018 20 10 EGCDRO Cc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c(C)n1-c1ccccc1 ZINC000261902445 455968389 /nfs/dbraw/zinc/96/83/89/455968389.db2.gz WMBVPUDRPSSGJO-UHFFFAOYSA-N 1 0 337.467 3.310 20 10 EGCDRO CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000286328798 456025447 /nfs/dbraw/zinc/02/54/47/456025447.db2.gz XWKRFBBYGWGSIS-RDTXWAMCSA-N 1 0 336.451 3.073 20 10 EGCDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1c1c(F)cccc1F ZINC000296739574 456025782 /nfs/dbraw/zinc/02/57/82/456025782.db2.gz JGMATMRQLWGSNI-IUODEOHRSA-N 1 0 344.361 3.053 20 10 EGCDRO Cc1ccc([C@H]([NH2+]Cc2cc(C)ccc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280677128 456028755 /nfs/dbraw/zinc/02/87/55/456028755.db2.gz MUBXRDSTZKOKHT-DNVCBOLYSA-N 1 0 347.480 3.273 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000280689194 456032364 /nfs/dbraw/zinc/03/23/64/456032364.db2.gz VPBDWRDFWFWMAF-HOTGVXAUSA-N 1 0 346.393 3.055 20 10 EGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)ccc21 ZINC000287675451 456074732 /nfs/dbraw/zinc/07/47/32/456074732.db2.gz MKLWTJAAZWQPGH-ZBFHGGJFSA-N 1 0 328.378 3.269 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccccc1O ZINC000272923123 456114304 /nfs/dbraw/zinc/11/43/04/456114304.db2.gz YIFWQAUDSHKAGD-AWEZNQCLSA-N 1 0 330.403 3.219 20 10 EGCDRO CCCCCC(=O)NC1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000271203036 456169904 /nfs/dbraw/zinc/16/99/04/456169904.db2.gz WZOWRJIMRKCJIK-UHFFFAOYSA-N 1 0 348.487 3.452 20 10 EGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000273166453 456197694 /nfs/dbraw/zinc/19/76/94/456197694.db2.gz DCJFVTRRNZJWJB-RDJZCZTQSA-N 1 0 348.487 3.067 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1 ZINC000271286548 456205058 /nfs/dbraw/zinc/20/50/58/456205058.db2.gz QMSLXPUWIVENKG-UHFFFAOYSA-N 1 0 346.471 3.158 20 10 EGCDRO COC[C@]1(C[NH2+][C@@H](C)c2ccc(C)cc2O)OCCc2ccccc21 ZINC000289982645 456205622 /nfs/dbraw/zinc/20/56/22/456205622.db2.gz XYUAIPVDMNPRAQ-KKSFZXQISA-N 1 0 341.451 3.466 20 10 EGCDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2=O)cc1 ZINC000189085392 456221369 /nfs/dbraw/zinc/22/13/69/456221369.db2.gz CFXCXVZTUOLNKB-RDTXWAMCSA-N 1 0 342.414 3.291 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c(O)c1C ZINC000273380843 456227119 /nfs/dbraw/zinc/22/71/19/456227119.db2.gz IEADURGVIMABQR-MRXNPFEDSA-N 1 0 336.439 3.500 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c(O)c1C ZINC000273430410 456229546 /nfs/dbraw/zinc/22/95/46/456229546.db2.gz VLPCJLKSNXBRTB-HOTGVXAUSA-N 1 0 326.440 3.365 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c(O)c1C ZINC000273447859 456231411 /nfs/dbraw/zinc/23/14/11/456231411.db2.gz FNQMBDMBJPZNPJ-VDZJLULYSA-N 1 0 329.440 3.144 20 10 EGCDRO CCN(Cc1cc(Br)ccc1O)[C@@H](C)c1noc(C)n1 ZINC000290080121 456234436 /nfs/dbraw/zinc/23/44/36/456234436.db2.gz UZOPZOHBEBVNAY-VIFPVBQESA-N 1 0 340.221 3.429 20 10 EGCDRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000275013309 456268381 /nfs/dbraw/zinc/26/83/81/456268381.db2.gz RUWHHUBVCCVUSJ-GFCCVEGCSA-N 1 0 337.265 3.062 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+](C)C2CCC(CO)CC2)c1O ZINC000290291875 456280754 /nfs/dbraw/zinc/28/07/54/456280754.db2.gz AMIPVEUMFVZOTB-UHFFFAOYSA-N 1 0 342.277 3.446 20 10 EGCDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000282150503 456427227 /nfs/dbraw/zinc/42/72/27/456427227.db2.gz CPVUNTSVOBQRFP-PSLXWICFSA-N 1 0 338.492 3.378 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000290881865 456457376 /nfs/dbraw/zinc/45/73/76/456457376.db2.gz KVZUBRLTOTUGKW-ZDUSSCGKSA-N 1 0 342.226 3.351 20 10 EGCDRO CCOc1cccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1O ZINC000282346758 456484291 /nfs/dbraw/zinc/48/42/91/456484291.db2.gz MNMBNJXZSITROF-FQEVSTJZSA-N 1 0 327.424 3.105 20 10 EGCDRO COc1cc(O)c(C[NH2+]C[C@]2(C)OCCc3sccc32)cc1OC ZINC000291506129 456664074 /nfs/dbraw/zinc/66/40/74/456664074.db2.gz HTXAIMIHFCYSES-SFHVURJKSA-N 1 0 349.452 3.049 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000283057814 456701487 /nfs/dbraw/zinc/70/14/87/456701487.db2.gz SVNJJOGSKDWBCN-KRWDZBQOSA-N 1 0 325.412 3.097 20 10 EGCDRO Cc1cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC000301220013 456825016 /nfs/dbraw/zinc/82/50/16/456825016.db2.gz ADABNMXOFASISH-HNNXBMFYSA-N 1 0 332.835 3.221 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000283743869 456834023 /nfs/dbraw/zinc/83/40/23/456834023.db2.gz IYJVBDFGNVRDKB-QZTJIDSGSA-N 1 0 345.487 3.331 20 10 EGCDRO CC[NH+](CC)CCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349085022 456896342 /nfs/dbraw/zinc/89/63/42/456896342.db2.gz WTDAMHPBWXKSCR-UHFFFAOYSA-N 1 0 330.476 3.018 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000363910843 457461757 /nfs/dbraw/zinc/46/17/57/457461757.db2.gz WXXNEQSHUDEUGC-HNNXBMFYSA-N 1 0 335.835 3.433 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000375123534 457801805 /nfs/dbraw/zinc/80/18/05/457801805.db2.gz IIIZHTNWISCKAL-UHFFFAOYSA-N 1 0 326.234 3.204 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000366231022 457801906 /nfs/dbraw/zinc/80/19/06/457801906.db2.gz FBMLXRKAVDPNIZ-CQSZACIVSA-N 1 0 328.460 3.057 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000371401675 457911107 /nfs/dbraw/zinc/91/11/07/457911107.db2.gz QUTRNKGDXWQYRB-AZUAARDMSA-N 1 0 330.472 3.105 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3nccc(C(F)F)n3)CC2)cc1 ZINC000367474175 457957579 /nfs/dbraw/zinc/95/75/79/457957579.db2.gz MIJACQYBDVZYLG-UHFFFAOYSA-N 1 0 348.397 3.181 20 10 EGCDRO CC(C)c1cccc(N(C)C(=O)c2cn[nH]c2[C@H]2CCC[NH2+]C2)c1 ZINC000423080052 458429869 /nfs/dbraw/zinc/42/98/69/458429869.db2.gz BFGKDIBSSOPNTK-HNNXBMFYSA-N 1 0 326.444 3.277 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCc3cccc(C)n3)CC2)cc1 ZINC000373470484 458501609 /nfs/dbraw/zinc/50/16/09/458501609.db2.gz RVBGFCWWLJGOAS-UHFFFAOYSA-N 1 0 325.456 3.200 20 10 EGCDRO CC[C@H]([NH2+]Cc1cnnn1CC)c1ccc(C(F)(F)F)cc1O ZINC000527912600 459770507 /nfs/dbraw/zinc/77/05/07/459770507.db2.gz FRFRVENKZUEWSN-ZDUSSCGKSA-N 1 0 328.338 3.263 20 10 EGCDRO CC[C@H]([NH2+]CC12CC(C1)CO2)c1cc(Br)ccc1O ZINC000527976869 459787009 /nfs/dbraw/zinc/78/70/09/459787009.db2.gz DHOWMWSFIRGWOO-IQYSWEBNSA-N 1 0 326.234 3.374 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1 ZINC000105461094 546695500 /nfs/dbraw/zinc/69/55/00/546695500.db2.gz GCRDMJHCAOALHA-AWEZNQCLSA-N 1 0 330.403 3.219 20 10 EGCDRO CC[N@H+](CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1 ZINC000726196352 574544934 /nfs/dbraw/zinc/54/49/34/574544934.db2.gz MUUYKPRHDXYHHE-UHFFFAOYSA-N 1 0 325.456 3.308 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCN(C)C[C@@H]3C(C)C)c2c1 ZINC000738286469 574562701 /nfs/dbraw/zinc/56/27/01/574562701.db2.gz WSIOGVRQYNUKBH-LJQANCHMSA-N 1 0 328.456 3.326 20 10 EGCDRO c1ccc2c(c1)n[nH]c2C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000727466770 574669178 /nfs/dbraw/zinc/66/91/78/574669178.db2.gz FSPZJIJXRVGCJC-UHFFFAOYSA-N 1 0 338.480 3.406 20 10 EGCDRO Fc1ccc(C2([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000729685772 574879109 /nfs/dbraw/zinc/87/91/09/574879109.db2.gz OTPDBQCCBILVMU-UHFFFAOYSA-N 1 0 326.415 3.441 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CC(=O)N2CCc3ccccc32)cc1 ZINC000729684914 574879118 /nfs/dbraw/zinc/87/91/18/574879118.db2.gz KVZNRRYVDLQKNN-UHFFFAOYSA-N 1 0 337.467 3.212 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000731024549 575045422 /nfs/dbraw/zinc/04/54/22/575045422.db2.gz FYGQLUONIPBGTF-HNNXBMFYSA-N 1 0 331.485 3.227 20 10 EGCDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000731678412 575199506 /nfs/dbraw/zinc/19/95/06/575199506.db2.gz LZDFHIOLIFGKBM-LJQANCHMSA-N 1 0 341.411 3.018 20 10 EGCDRO CCc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000732202686 575244351 /nfs/dbraw/zinc/24/43/51/575244351.db2.gz BULLFBBQGHOBJH-UHFFFAOYSA-N 1 0 326.440 3.045 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCc2ccccc2C1 ZINC000733322521 575327606 /nfs/dbraw/zinc/32/76/06/575327606.db2.gz KPVLGHZCOCUDRY-MRXNPFEDSA-N 1 0 341.474 3.428 20 10 EGCDRO COc1ccc2[nH]cc(CC[NH2+]Cc3cccc(OC)c3O)c2c1 ZINC000733326433 575328069 /nfs/dbraw/zinc/32/80/69/575328069.db2.gz CIDCKRMGJXVCHL-UHFFFAOYSA-N 1 0 326.396 3.223 20 10 EGCDRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Cl)ccc1O ZINC000734844921 575559265 /nfs/dbraw/zinc/55/92/65/575559265.db2.gz DIBMKIZGCYTTPI-OAHLLOKOSA-N 1 0 330.815 3.220 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000736348684 575941263 /nfs/dbraw/zinc/94/12/63/575941263.db2.gz UJRWXPNWAJQCGG-APWZRJJASA-N 1 0 337.467 3.239 20 10 EGCDRO CC(C)CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000740017931 576533552 /nfs/dbraw/zinc/53/35/52/576533552.db2.gz IJRNVCZCEYLXSX-UXHICEINSA-N 1 0 346.515 3.453 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000741754873 576717462 /nfs/dbraw/zinc/71/74/62/576717462.db2.gz ZIKXHBSPWGTGGF-UHFFFAOYSA-N 1 0 330.501 3.312 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCC(=O)NC)cc1 ZINC000742699880 576793571 /nfs/dbraw/zinc/79/35/71/576793571.db2.gz HMTKEJWJUZEFQO-UHFFFAOYSA-N 1 0 339.483 3.329 20 10 EGCDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000744795075 576834569 /nfs/dbraw/zinc/83/45/69/576834569.db2.gz GMIUZEXWYRJITJ-OAHLLOKOSA-N 1 0 339.483 3.474 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c1O ZINC000691432845 1298134186 /nfs/dbraw/zinc/13/41/86/1298134186.db2.gz AAUWZAWGRPMQMA-MRXNPFEDSA-N 1 0 334.460 3.348 20 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/nfs/dbraw/zinc/49/44/73/1292494473.db2.gz RCDTVAJGBIXDDZ-HXUWFJFHSA-N 1 0 332.488 3.159 20 10 EGCDRO COC(=O)c1cnc(SCC[N@H+](C)Cc2ccc(F)cc2)s1 ZINC000829680800 1292601749 /nfs/dbraw/zinc/60/17/49/1292601749.db2.gz FGDFCWHDSWGRTI-UHFFFAOYSA-N 1 0 340.445 3.293 20 10 EGCDRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090966610 1292807906 /nfs/dbraw/zinc/80/79/06/1292807906.db2.gz RBMPIHYACAXWFM-KFWWJZLASA-N 1 0 336.451 3.269 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc1F ZINC000092660213 1292884236 /nfs/dbraw/zinc/88/42/36/1292884236.db2.gz QDBMTRKPBUIOQJ-HNNXBMFYSA-N 1 0 335.467 3.149 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1O ZINC000093499797 1292923014 /nfs/dbraw/zinc/92/30/14/1292923014.db2.gz LTGJHGJDRNBEIE-ZJUUUORDSA-N 1 0 346.290 3.489 20 10 EGCDRO CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832266659 1292978501 /nfs/dbraw/zinc/97/85/01/1292978501.db2.gz HVHDQSAHZBFIOI-SZVBFZGTSA-N 1 0 331.504 3.331 20 10 EGCDRO C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000832272697 1292979931 /nfs/dbraw/zinc/97/99/31/1292979931.db2.gz JFGBGCOINHOZOP-IFXJQAMLSA-N 1 0 343.446 3.202 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1C(C)C ZINC000832279333 1292980752 /nfs/dbraw/zinc/98/07/52/1292980752.db2.gz JCIKDGHGPQJPFM-LJQANCHMSA-N 1 0 342.487 3.182 20 10 EGCDRO Cc1ccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000832293409 1292983692 /nfs/dbraw/zinc/98/36/92/1292983692.db2.gz WDWDZCDAARDWPU-HXUWFJFHSA-N 1 0 339.483 3.118 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000110656969 1293099375 /nfs/dbraw/zinc/09/93/75/1293099375.db2.gz QSIZHBOEZHEBSJ-MRXNPFEDSA-N 1 0 325.456 3.307 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000111204439 1293101595 /nfs/dbraw/zinc/10/15/95/1293101595.db2.gz MFDSGMWFYVCKRR-UHFFFAOYSA-N 1 0 338.451 3.342 20 10 EGCDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000834531294 1293111536 /nfs/dbraw/zinc/11/15/36/1293111536.db2.gz VCXDZLKCIZGMOR-SFHVURJKSA-N 1 0 339.483 3.419 20 10 EGCDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)ccc1OCCO ZINC000834530696 1293112028 /nfs/dbraw/zinc/11/20/28/1293112028.db2.gz JKNUZWBWIUGJHV-CZUORRHYSA-N 1 0 343.423 3.110 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)CC2 ZINC000834775324 1293145910 /nfs/dbraw/zinc/14/59/10/1293145910.db2.gz YUILSBRKPFRLOY-ZENOOKHLSA-N 1 0 329.362 3.453 20 10 EGCDRO CC[C@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000834903288 1293171480 /nfs/dbraw/zinc/17/14/80/1293171480.db2.gz HBMKUTLPBPAANT-INIZCTEOSA-N 1 0 336.443 3.174 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)cc1OC ZINC000835066116 1293197523 /nfs/dbraw/zinc/19/75/23/1293197523.db2.gz OHZYVXQYYUONKA-GOSISDBHSA-N 1 0 337.460 3.076 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000835071094 1293200347 /nfs/dbraw/zinc/20/03/47/1293200347.db2.gz VDXMHMYAPURUSA-IBGZPJMESA-N 1 0 335.444 3.345 20 10 EGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000117395372 1293220838 /nfs/dbraw/zinc/22/08/38/1293220838.db2.gz VBZJCRTWBCCPFI-HOTGVXAUSA-N 1 0 338.492 3.426 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(C)o1 ZINC000119156332 1293257360 /nfs/dbraw/zinc/25/73/60/1293257360.db2.gz IJYHEJONXSESBR-UHFFFAOYSA-N 1 0 332.419 3.286 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000119493095 1293273384 /nfs/dbraw/zinc/27/33/84/1293273384.db2.gz SYZWSDYKMPULDE-LSDHHAIUSA-N 1 0 338.423 3.457 20 10 EGCDRO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1O ZINC000121096811 1293355611 /nfs/dbraw/zinc/35/56/11/1293355611.db2.gz FIDVBIPYPZMECN-ICSRJNTNSA-N 1 0 340.467 3.334 20 10 EGCDRO C[NH+](C)Cc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000121752212 1293387913 /nfs/dbraw/zinc/38/79/13/1293387913.db2.gz YULZWAHKAWCMHN-UHFFFAOYSA-N 1 0 325.456 3.197 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)cc(C)c1O)C[C@H]1CCCO1 ZINC000124566841 1293479043 /nfs/dbraw/zinc/47/90/43/1293479043.db2.gz MPMDKVJTLQXACW-CQSZACIVSA-N 1 0 328.250 3.464 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000129911854 1293638771 /nfs/dbraw/zinc/63/87/71/1293638771.db2.gz JVZBEPDXMQXTCC-UHFFFAOYSA-N 1 0 325.456 3.166 20 10 EGCDRO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132481917 1293719860 /nfs/dbraw/zinc/71/98/60/1293719860.db2.gz KYUBLVGRWNMUOE-LBPRGKRZSA-N 1 0 335.448 3.278 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000133645486 1293750363 /nfs/dbraw/zinc/75/03/63/1293750363.db2.gz TYEBCALZTHLOCQ-AWEZNQCLSA-N 1 0 340.851 3.439 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1OC ZINC000846108432 1321768677 /nfs/dbraw/zinc/76/86/77/1321768677.db2.gz DKMIBIXRWUYTHH-NSHDSACASA-N 1 0 334.243 3.473 20 10 EGCDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000150999162 1293902846 /nfs/dbraw/zinc/90/28/46/1293902846.db2.gz HQSASXHLPNIQJS-QGZVFWFLSA-N 1 0 325.456 3.227 20 10 EGCDRO CC1CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000152255267 1293960932 /nfs/dbraw/zinc/96/09/32/1293960932.db2.gz PLLKDZCGSLPFKV-UHFFFAOYSA-N 1 0 342.439 3.246 20 10 EGCDRO CC[C@@](C)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000152612992 1293977193 /nfs/dbraw/zinc/97/71/93/1293977193.db2.gz OZBHDSNBMAYNED-GOSISDBHSA-N 1 0 331.485 3.395 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(C)c(F)c1)c1ccccc1O ZINC000155075906 1294082745 /nfs/dbraw/zinc/08/27/45/1294082745.db2.gz NJWWEOJROFDNJJ-KRWDZBQOSA-N 1 0 330.403 3.310 20 10 EGCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c[nH]1 ZINC000155241252 1294090802 /nfs/dbraw/zinc/09/08/02/1294090802.db2.gz LGJCCNPWDWPCFB-UHFFFAOYSA-N 1 0 341.455 3.424 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)N3CCC[C@H](C)C3)CC2)cc1 ZINC000155964738 1294121022 /nfs/dbraw/zinc/12/10/22/1294121022.db2.gz VQBGNMBRCNYTTR-ROUUACIJSA-N 1 0 345.531 3.374 20 10 EGCDRO Cc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000158034914 1294193941 /nfs/dbraw/zinc/19/39/41/1294193941.db2.gz ACESUOQFTYGVKV-CABCVRRESA-N 1 0 339.277 3.132 20 10 EGCDRO CCCCCNC(=O)C1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000159825770 1294247745 /nfs/dbraw/zinc/24/77/45/1294247745.db2.gz ACRCOWAINCCWDO-UHFFFAOYSA-N 1 0 348.487 3.228 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cnn(C)c1 ZINC000163578138 1294335145 /nfs/dbraw/zinc/33/51/45/1294335145.db2.gz USZPXKQGQCDETH-GOSISDBHSA-N 1 0 330.501 3.214 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)cc1 ZINC000165071553 1294355355 /nfs/dbraw/zinc/35/53/55/1294355355.db2.gz VRQXZKJBRPIFLX-INIZCTEOSA-N 1 0 331.504 3.442 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172173579 1294429474 /nfs/dbraw/zinc/42/94/74/1294429474.db2.gz UYLYGIHEDCPGRQ-HNNXBMFYSA-N 1 0 331.485 3.179 20 10 EGCDRO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(O)c1O ZINC000177660282 1294685547 /nfs/dbraw/zinc/68/55/47/1294685547.db2.gz RYVNPLRMWJHGLX-AWEZNQCLSA-N 1 0 346.452 3.035 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1O ZINC000179518191 1294800135 /nfs/dbraw/zinc/80/01/35/1294800135.db2.gz PTZXFOSYYIWOCL-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2C)c1 ZINC000182428132 1295046028 /nfs/dbraw/zinc/04/60/28/1295046028.db2.gz UVPDGOMGFURGTD-OAHLLOKOSA-N 1 0 342.439 3.018 20 10 EGCDRO Cc1cc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)o1 ZINC000183777665 1295142857 /nfs/dbraw/zinc/14/28/57/1295142857.db2.gz PYRYZGGUOQXUCH-OAHLLOKOSA-N 1 0 343.471 3.272 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c(O)c1 ZINC000184865301 1295225141 /nfs/dbraw/zinc/22/51/41/1295225141.db2.gz OWNOMQJQTUAHPZ-JTQLQIEISA-N 1 0 338.329 3.407 20 10 EGCDRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000186114623 1295305501 /nfs/dbraw/zinc/30/55/01/1295305501.db2.gz KBIAWBABECATIV-AWEZNQCLSA-N 1 0 331.412 3.447 20 10 EGCDRO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1cc(F)ccc1O ZINC000186149320 1295307074 /nfs/dbraw/zinc/30/70/74/1295307074.db2.gz LINQBFWDDWBJPH-LBPRGKRZSA-N 1 0 327.359 3.475 20 10 EGCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OC)c1O)CCO2 ZINC000187545708 1295398848 /nfs/dbraw/zinc/39/88/48/1295398848.db2.gz SQRFCBYZMMFZTP-INIZCTEOSA-N 1 0 329.396 3.413 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191895611 1295719804 /nfs/dbraw/zinc/71/98/04/1295719804.db2.gz CBWXPWLBPSXBAU-UHFFFAOYSA-N 1 0 339.414 3.166 20 10 EGCDRO CC[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000227721227 1296147305 /nfs/dbraw/zinc/14/73/05/1296147305.db2.gz AYIAQUAHELMFRB-DGCLKSJQSA-N 1 0 326.412 3.485 20 10 EGCDRO Cc1cc(C(=O)NC2CCC([NH3+])CC2)c(C)n1-c1cccc(C)c1 ZINC000237821434 1296266258 /nfs/dbraw/zinc/26/62/58/1296266258.db2.gz MOUIVIPEFYTQHT-UHFFFAOYSA-N 1 0 325.456 3.402 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1ccc2ccccc2c1O ZINC000248481253 1296416111 /nfs/dbraw/zinc/41/61/11/1296416111.db2.gz BAPLZOZNPVKDBX-JYJNAYRXSA-N 1 0 328.456 3.305 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)[C@H]1CO ZINC000249034259 1296434548 /nfs/dbraw/zinc/43/45/48/1296434548.db2.gz BVOJFXLAPDVTJX-BEFAXECRSA-N 1 0 327.424 3.174 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Br)ccc1O ZINC000253151454 1296463084 /nfs/dbraw/zinc/46/30/84/1296463084.db2.gz HIZWJDZPKYNJNT-OBJOEFQTSA-N 1 0 328.250 3.499 20 10 EGCDRO CN1CCCc2cc(C[NH2+]CCCNC(=O)OC(C)(C)C)ccc21 ZINC000302062383 1296798128 /nfs/dbraw/zinc/79/81/28/1296798128.db2.gz VDDOSADMIOEUFH-UHFFFAOYSA-N 1 0 333.476 3.073 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000310079226 1297089502 /nfs/dbraw/zinc/08/95/02/1297089502.db2.gz SHKDWJLPIJDYHP-HIFPTAJRSA-N 1 0 336.432 3.107 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000310388740 1297095857 /nfs/dbraw/zinc/09/58/57/1297095857.db2.gz RCHKKKRTWHCKCX-HNAYVOBHSA-N 1 0 326.440 3.153 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2nccnc2c1)c1ccc(N2CCOCC2)cc1 ZINC000873024105 1297230115 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EGCDRO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000715103476 1298276523 /nfs/dbraw/zinc/27/65/23/1298276523.db2.gz LOJOEAIMWIIEDG-YRGRVCCFSA-N 1 0 338.423 3.485 20 10 EGCDRO C[C@@H](NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1O ZINC000875478037 1298354171 /nfs/dbraw/zinc/35/41/71/1298354171.db2.gz WHPUEZNANUHHTJ-OAGGEKHMSA-N 1 0 345.487 3.405 20 10 EGCDRO Cc1cccc(C(=O)N2CCC[N@H+](Cc3c(C)cccc3O)CC2)c1 ZINC000876568736 1298835308 /nfs/dbraw/zinc/83/53/08/1298835308.db2.gz LDRWKDXPFCLYFE-UHFFFAOYSA-N 1 0 338.451 3.357 20 10 EGCDRO CCOC(=O)CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1 ZINC000747786352 1298859527 /nfs/dbraw/zinc/85/95/27/1298859527.db2.gz IUTCLGZTZPLJKX-UHFFFAOYSA-N 1 0 335.444 3.313 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4nccnc4c3)CC2)cc1 ZINC000876631834 1298883905 /nfs/dbraw/zinc/88/39/05/1298883905.db2.gz NHCKDMXBASRANF-UHFFFAOYSA-N 1 0 348.450 3.351 20 10 EGCDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876720990 1298939492 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CSC(C)(C)CC[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000877582480 1299413876 /nfs/dbraw/zinc/41/38/76/1299413876.db2.gz YBNKIBVXEXDCJY-UHFFFAOYSA-N 1 0 344.471 3.423 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000877592477 1299419983 /nfs/dbraw/zinc/41/99/83/1299419983.db2.gz PRJLJNIWHNAMMJ-BQFCYCMXSA-N 1 0 331.504 3.029 20 10 EGCDRO CO[C@H](C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC000877658342 1299459449 /nfs/dbraw/zinc/45/94/49/1299459449.db2.gz XOZZXOYOXJQECI-FXAWDEMLSA-N 1 0 328.456 3.235 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1OC ZINC000877699771 1299491127 /nfs/dbraw/zinc/49/11/27/1299491127.db2.gz KMSDZBBGOZLERK-SNVBAGLBSA-N 1 0 344.367 3.107 20 10 EGCDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000877977747 1299681564 /nfs/dbraw/zinc/68/15/64/1299681564.db2.gz TXLGIABIMZGGFJ-UHFFFAOYSA-N 1 0 345.447 3.076 20 10 EGCDRO CC1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOCC1 ZINC000752102263 1299697102 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C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(Br)cc1O ZINC000756380242 1300480658 /nfs/dbraw/zinc/48/06/58/1300480658.db2.gz FNMNNTWEKXOWFU-BONVTDFDSA-N 1 0 349.228 3.032 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)c2c1c(F)ccc2O ZINC000756393970 1300483480 /nfs/dbraw/zinc/48/34/80/1300483480.db2.gz UVZKMLBNWCXJCH-DOMZBBRYSA-N 1 0 338.386 3.450 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cccc(OC)c2OC)c1 ZINC000756422856 1300488660 /nfs/dbraw/zinc/48/86/60/1300488660.db2.gz MXAHSRVMWNVZFT-ZDUSSCGKSA-N 1 0 331.412 3.311 20 10 EGCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756433304 1300489935 /nfs/dbraw/zinc/48/99/35/1300489935.db2.gz XCFYTYQOMFYNLY-GJZGRUSLSA-N 1 0 335.448 3.463 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)c1 ZINC000756457948 1300495787 /nfs/dbraw/zinc/49/57/87/1300495787.db2.gz IJUCSJNSXOZTNQ-SJORKVTESA-N 1 0 329.440 3.408 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)c(O)c1C ZINC000756455145 1300496140 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EGCDRO C[C@@H]([NH2+]CCCc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000765004915 1302185435 /nfs/dbraw/zinc/18/54/35/1302185435.db2.gz ZYWXKNXCUDULSF-QGZVFWFLSA-N 1 0 325.456 3.202 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000765332334 1302248738 /nfs/dbraw/zinc/24/87/38/1302248738.db2.gz WFRLMUYQZSWSHF-UZLBHIALSA-N 1 0 332.488 3.379 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765381001 1302258568 /nfs/dbraw/zinc/25/85/68/1302258568.db2.gz IVOGOXJBVZKRDI-LJQANCHMSA-N 1 0 325.456 3.110 20 10 EGCDRO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765765393 1302320296 /nfs/dbraw/zinc/32/02/96/1302320296.db2.gz CROXVRPEIZKFIW-HOTGVXAUSA-N 1 0 337.483 3.043 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)[C@@H](O)C(F)(F)F ZINC000765789234 1302326897 /nfs/dbraw/zinc/32/68/97/1302326897.db2.gz RYLHIKGHYSLIGY-UKRRQHHQSA-N 1 0 336.373 3.463 20 10 EGCDRO C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765791187 1302328788 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EGCDRO COc1ccc(OCC[N@H+](C)Cc2cc(OC)c(C)cc2O)cc1 ZINC000768442541 1302905139 /nfs/dbraw/zinc/90/51/39/1302905139.db2.gz SBOMNZGXFRWBMO-UHFFFAOYSA-N 1 0 331.412 3.229 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000769330266 1303093801 /nfs/dbraw/zinc/09/38/01/1303093801.db2.gz CJFXFPSGVLMZCQ-QGZVFWFLSA-N 1 0 347.503 3.441 20 10 EGCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000769380563 1303102988 /nfs/dbraw/zinc/10/29/88/1303102988.db2.gz KGEAJKUJLKGTNF-INIZCTEOSA-N 1 0 346.475 3.111 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1O ZINC000769499137 1303128297 /nfs/dbraw/zinc/12/82/97/1303128297.db2.gz MRLVHNMPDGOAEN-LJQANCHMSA-N 1 0 340.467 3.497 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000769710789 1303163521 /nfs/dbraw/zinc/16/35/21/1303163521.db2.gz PIFOMEHGLLURDX-HOCLYGCPSA-N 1 0 333.432 3.242 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000770356579 1303252953 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3.293 20 10 EGCDRO Cc1ncc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000773075625 1303619471 /nfs/dbraw/zinc/61/94/71/1303619471.db2.gz JNRXSKJPRBFFSW-CYBMUJFWSA-N 1 0 349.475 3.321 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1 ZINC000773109519 1303626067 /nfs/dbraw/zinc/62/60/67/1303626067.db2.gz FNVAERHAZLELDD-UHFFFAOYSA-N 1 0 325.456 3.260 20 10 EGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)S(C)(=O)=O ZINC000773107609 1303626151 /nfs/dbraw/zinc/62/61/51/1303626151.db2.gz YIQDCZSWYYDQHM-HOTGVXAUSA-N 1 0 338.517 3.151 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000773415752 1303676474 /nfs/dbraw/zinc/67/64/74/1303676474.db2.gz NLOSPGXNODRKIY-IBGZPJMESA-N 1 0 330.472 3.452 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000773887937 1303751537 /nfs/dbraw/zinc/75/15/37/1303751537.db2.gz JTMYTCHWJSAXCN-ZBFHGGJFSA-N 1 0 330.394 3.278 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccc(F)cc1 ZINC000774482422 1303815324 /nfs/dbraw/zinc/81/53/24/1303815324.db2.gz KIJRHLHKGYQAIK-GJZGRUSLSA-N 1 0 343.446 3.247 20 10 EGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775140696 1303914904 /nfs/dbraw/zinc/91/49/04/1303914904.db2.gz QGTWWLRZQBDKFF-KRWDZBQOSA-N 1 0 333.476 3.371 20 10 EGCDRO Cc1cccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1O ZINC000775167394 1303918282 /nfs/dbraw/zinc/91/82/82/1303918282.db2.gz GFCLQWMBRRSLTE-CYBMUJFWSA-N 1 0 339.357 3.059 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CCN2CCCC(C)(C)C2)c1O ZINC000775183267 1303920731 /nfs/dbraw/zinc/92/07/31/1303920731.db2.gz JFMDDFYEQSNUQW-UHFFFAOYSA-N 1 0 326.868 3.266 20 10 EGCDRO CC[NH+](CC)CCSCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775403978 1303958328 /nfs/dbraw/zinc/95/83/28/1303958328.db2.gz LMIDDRBYPYDJEX-OAHLLOKOSA-N 1 0 337.533 3.005 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000775539468 1303981099 /nfs/dbraw/zinc/98/10/99/1303981099.db2.gz DOKJUMZZYLSYQC-HIFRSBDPSA-N 1 0 341.835 3.008 20 10 EGCDRO COc1cc(O)c(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1OC ZINC000775658881 1304007181 /nfs/dbraw/zinc/00/71/81/1304007181.db2.gz RFNVMRWRIJPAQT-ZOBUZTSGSA-N 1 0 348.487 3.247 20 10 EGCDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775828562 1304045694 /nfs/dbraw/zinc/04/56/94/1304045694.db2.gz QSLHUZUWFBOSMV-CQSZACIVSA-N 1 0 327.428 3.051 20 10 EGCDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775833788 1304046696 /nfs/dbraw/zinc/04/66/96/1304046696.db2.gz MCBTZXOBKQIUJO-XLIONFOSSA-N 1 0 342.483 3.460 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000776222288 1304116392 /nfs/dbraw/zinc/11/63/92/1304116392.db2.gz BFZJYRZNSVHFRA-FZMZJTMJSA-N 1 0 327.266 3.035 20 10 EGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776237952 1304118549 /nfs/dbraw/zinc/11/85/49/1304118549.db2.gz KSCJLNIKHGPPCO-IPELMVKDSA-N 1 0 344.503 3.082 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)ccc1N1CCOCC1 ZINC000777438747 1304296085 /nfs/dbraw/zinc/29/60/85/1304296085.db2.gz DCGGHQOKTBSCSU-LJQANCHMSA-N 1 0 348.462 3.053 20 10 EGCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(O)(C(F)F)CC3)c2c1 ZINC000777573714 1304320971 /nfs/dbraw/zinc/32/09/71/1304320971.db2.gz DBFQVJDLPQROES-UHFFFAOYSA-N 1 0 337.366 3.146 20 10 EGCDRO C[C@@H](C1CC1)n1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000778189671 1304413288 /nfs/dbraw/zinc/41/32/88/1304413288.db2.gz SXUZURNSHIGSII-INIZCTEOSA-N 1 0 339.487 3.218 20 10 EGCDRO COc1cccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1O ZINC000778202752 1304418002 /nfs/dbraw/zinc/41/80/02/1304418002.db2.gz XPLLTLIWGCKNGG-UHFFFAOYSA-N 1 0 331.803 3.231 20 10 EGCDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000779018453 1304518487 /nfs/dbraw/zinc/51/84/87/1304518487.db2.gz ALRHMQNFDNHUEG-HRCADAONSA-N 1 0 338.467 3.080 20 10 EGCDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779036444 1304522100 /nfs/dbraw/zinc/52/21/00/1304522100.db2.gz OIQWPCYPGJGHJA-NEPJUHHUSA-N 1 0 346.265 3.165 20 10 EGCDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000780495819 1304699960 /nfs/dbraw/zinc/69/99/60/1304699960.db2.gz RLCIFDYGNGOMSA-INIZCTEOSA-N 1 0 340.345 3.484 20 10 EGCDRO OCC[C@H]([NH2+]Cc1ccccc1O)c1ccccc1Br ZINC000781638541 1304852307 /nfs/dbraw/zinc/85/23/07/1304852307.db2.gz JELSOHHQAAXJPG-HNNXBMFYSA-N 1 0 336.229 3.368 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)CCCOC(C)(C)C)[NH+](C)C)cc1 ZINC000891246611 1304999394 /nfs/dbraw/zinc/99/93/94/1304999394.db2.gz CBTLMZAXTKHMEO-GOSISDBHSA-N 1 0 349.519 3.067 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)C23CCC(CC2)C3)[NH+](C)C)cc1 ZINC000891247182 1304999615 /nfs/dbraw/zinc/99/96/15/1304999615.db2.gz GSYPIVQFOPQMPX-RVSXGSNBSA-N 1 0 329.488 3.052 20 10 EGCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccs1 ZINC000891251530 1305000596 /nfs/dbraw/zinc/00/05/96/1305000596.db2.gz FYIDPXFEEKETNF-YOEHRIQHSA-N 1 0 345.512 3.337 20 10 EGCDRO COC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CCCC1 ZINC000783237259 1305069425 /nfs/dbraw/zinc/06/94/25/1305069425.db2.gz LJODWHRMYLFDQG-HXUWFJFHSA-N 1 0 332.488 3.459 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000783513240 1305101363 /nfs/dbraw/zinc/10/13/63/1305101363.db2.gz JSELGCAXXXBILT-FVJLSDCUSA-N 1 0 340.467 3.332 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)c1ccccc1O ZINC000783517707 1305102246 /nfs/dbraw/zinc/10/22/46/1305102246.db2.gz IAAOHMFHHCENIP-APWZRJJASA-N 1 0 338.451 3.277 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000783978631 1305170842 /nfs/dbraw/zinc/17/08/42/1305170842.db2.gz CGERPUKJWNUFHS-UHFFFAOYSA-N 1 0 329.419 3.255 20 10 EGCDRO Cc1cccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)c1 ZINC000784026876 1305179281 /nfs/dbraw/zinc/17/92/81/1305179281.db2.gz PSJZJHQVBFXUQD-BEFAXECRSA-N 1 0 325.408 3.116 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C(C)C)cc2F)CC1 ZINC000784096461 1305190577 /nfs/dbraw/zinc/19/05/77/1305190577.db2.gz JATUQHFZMOIKOM-UHFFFAOYSA-N 1 0 349.494 3.266 20 10 EGCDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000785989160 1305487231 /nfs/dbraw/zinc/48/72/31/1305487231.db2.gz SQEQGGNJYMOJAS-UHIISALHSA-N 1 0 328.250 3.136 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)cc1F ZINC000786119875 1305520040 /nfs/dbraw/zinc/52/00/40/1305520040.db2.gz JTMLDYOVCCMOIW-UHFFFAOYSA-N 1 0 340.402 3.250 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)c(O)c1OC ZINC000892964619 1305629797 /nfs/dbraw/zinc/62/97/97/1305629797.db2.gz ZIHUPXWETKOSGI-INIZCTEOSA-N 1 0 342.439 3.168 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)c(O)c1OC ZINC000893305270 1305816592 /nfs/dbraw/zinc/81/65/92/1305816592.db2.gz UDAIFCOQKVFYID-SGTLLEGYSA-N 1 0 349.402 3.414 20 10 EGCDRO CCC(O)(CC)CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000788273296 1305912665 /nfs/dbraw/zinc/91/26/65/1305912665.db2.gz JTDWCLDTKRCGSW-UHFFFAOYSA-N 1 0 330.266 3.494 20 10 EGCDRO Cc1nc(Cl)ccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000788404518 1305936481 /nfs/dbraw/zinc/93/64/81/1305936481.db2.gz VCVRSZPFCKUURB-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc[nH]c(=O)c1 ZINC000788542056 1305967406 /nfs/dbraw/zinc/96/74/06/1305967406.db2.gz JIMRNOPNWHTNBE-AWEZNQCLSA-N 1 0 329.469 3.191 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000894093663 1306214009 /nfs/dbraw/zinc/21/40/09/1306214009.db2.gz HBLHDKNMMRIGDW-HZPDHXFCSA-N 1 0 331.412 3.390 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1O ZINC000894145361 1306243997 /nfs/dbraw/zinc/24/39/97/1306243997.db2.gz AVRJXXHNHPQJFE-MRXNPFEDSA-N 1 0 330.428 3.229 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000894150989 1306247271 /nfs/dbraw/zinc/24/72/71/1306247271.db2.gz VJPURLFECVFRCR-SFHVURJKSA-N 1 0 326.440 3.073 20 10 EGCDRO COC(=O)CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000894230632 1306291569 /nfs/dbraw/zinc/29/15/69/1306291569.db2.gz SNFXAPWWCZCLPA-KRWDZBQOSA-N 1 0 343.423 3.493 20 10 EGCDRO COCCCOc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894354302 1306356652 /nfs/dbraw/zinc/35/66/52/1306356652.db2.gz KPQHMHQAZJPNCH-UHFFFAOYSA-N 1 0 345.439 3.414 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCCc2cccnc2)c(O)c1OC ZINC000894846180 1309097289 /nfs/dbraw/zinc/09/72/89/1309097289.db2.gz SFEVNSANBMPPQL-CQSZACIVSA-N 1 0 330.428 3.305 20 10 EGCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792830033 1309238948 /nfs/dbraw/zinc/23/89/48/1309238948.db2.gz UKYZECVTFQAODC-AWEZNQCLSA-N 1 0 344.377 3.299 20 10 EGCDRO CC1=NO[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000895308008 1309277916 /nfs/dbraw/zinc/27/79/16/1309277916.db2.gz WPHNUUPALTZHMO-SFHVURJKSA-N 1 0 326.396 3.226 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(O)c1 ZINC000793388021 1309361880 /nfs/dbraw/zinc/36/18/80/1309361880.db2.gz FBVZLASTTSRNIR-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1O ZINC000793599700 1309414259 /nfs/dbraw/zinc/41/42/59/1309414259.db2.gz IIBMMFDEXHJJNW-CYBMUJFWSA-N 1 0 338.448 3.184 20 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/nfs/dbraw/zinc/95/10/03/1309951003.db2.gz FPUXFBFSAVAKCQ-UHFFFAOYSA-N 1 0 328.803 3.225 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)cc1OC ZINC000896827737 1310038472 /nfs/dbraw/zinc/03/84/72/1310038472.db2.gz BQWZPSNGRMRXGO-LBPRGKRZSA-N 1 0 329.396 3.023 20 10 EGCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Cl)ccc1O ZINC000797099828 1310141691 /nfs/dbraw/zinc/14/16/91/1310141691.db2.gz DLAAZNQRYMARBL-CQSZACIVSA-N 1 0 345.892 3.444 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1 ZINC000797134516 1310145258 /nfs/dbraw/zinc/14/52/58/1310145258.db2.gz SVSKRFIMYWPBSH-NPMABZOXSA-N 1 0 333.453 3.130 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c(O)cc1C ZINC000799153079 1310493586 /nfs/dbraw/zinc/49/35/86/1310493586.db2.gz BZPSQMLOSBICHP-BVPBIZIASA-N 1 0 333.472 3.471 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c(O)c1 ZINC000799345007 1310532751 /nfs/dbraw/zinc/53/27/51/1310532751.db2.gz OCGMGYOTSIFOQT-HXUWFJFHSA-N 1 0 327.424 3.105 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2ccc(CCO)cc2)ccc1OC ZINC000898172398 1310612160 /nfs/dbraw/zinc/61/21/60/1310612160.db2.gz GGXBDMFATUBZIV-UHFFFAOYSA-N 1 0 329.440 3.056 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]CCOC1CCSCC1 ZINC000898441938 1310736419 /nfs/dbraw/zinc/73/64/19/1310736419.db2.gz FVQQZZBGBVZJHW-UHFFFAOYSA-N 1 0 346.290 3.157 20 10 EGCDRO COc1ccc(C[NH2+]CCCOc2cccc(F)c2)c(O)c1OC ZINC000898444419 1310737567 /nfs/dbraw/zinc/73/75/67/1310737567.db2.gz JRSVEENDNHRJPO-UHFFFAOYSA-N 1 0 335.375 3.107 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnc(C3CC3)s2)N(C)C)cc1 ZINC000898449546 1310740602 /nfs/dbraw/zinc/74/06/02/1310740602.db2.gz HDCGFOVQHKKFDJ-SFHVURJKSA-N 1 0 344.528 3.479 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000823459345 1320181153 /nfs/dbraw/zinc/18/11/53/1320181153.db2.gz RSNBWCYUQOKDKU-GOSISDBHSA-N 1 0 343.496 3.047 20 10 EGCDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824812991 1320287341 /nfs/dbraw/zinc/28/73/41/1320287341.db2.gz 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EGCDRO CN(C)c1ccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1 ZINC000813784492 1318632006 /nfs/dbraw/zinc/63/20/06/1318632006.db2.gz GAGRFIAFZHAGIJ-DOTOQJQBSA-N 1 0 332.469 3.177 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c(O)c1 ZINC000813886191 1318651887 /nfs/dbraw/zinc/65/18/87/1318651887.db2.gz XUIURFQWRCUUAG-OAHLLOKOSA-N 1 0 326.444 3.250 20 10 EGCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000814170905 1318687226 /nfs/dbraw/zinc/68/72/26/1318687226.db2.gz DLDCKCKVNRSZTK-FQEVSTJZSA-N 1 0 325.408 3.017 20 10 EGCDRO Cc1oc(C(C)(C)C)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911668197 1318757899 /nfs/dbraw/zinc/75/78/99/1318757899.db2.gz WBHQXRXCLZQPDK-KRWDZBQOSA-N 1 0 343.471 3.381 20 10 EGCDRO COc1ccccc1C[N@H+](CCO)Cc1ccc(N(C)C)c(C)c1 ZINC000815036869 1318871921 /nfs/dbraw/zinc/87/19/21/1318871921.db2.gz CNHRBGCRYVFEGM-UHFFFAOYSA-N 1 0 328.456 3.064 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1N(C)C ZINC000815050480 1318875266 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C[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000858597822 1328804810 /nfs/dbraw/zinc/80/48/10/1328804810.db2.gz XSFUCQOVIXERRA-LAUBAEHRSA-N 1 0 342.483 3.371 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(C)C)C2)cc1C ZINC001022907290 1319156837 /nfs/dbraw/zinc/15/68/37/1319156837.db2.gz PSSPHZVDGCSVFU-XWTMOSNGSA-N 1 0 330.472 3.033 20 10 EGCDRO Oc1c(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)ccc2ccccc21 ZINC000816540109 1319178827 /nfs/dbraw/zinc/17/88/27/1319178827.db2.gz CTKZROMIJQBHQJ-QGZVFWFLSA-N 1 0 341.382 3.214 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@]2(CCCOC2)O1 ZINC000816597966 1319190192 /nfs/dbraw/zinc/19/01/92/1319190192.db2.gz LUVMPHIREVGNJZ-FOIQADDNSA-N 1 0 327.424 3.315 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1C ZINC000914569286 1319345617 /nfs/dbraw/zinc/34/56/17/1319345617.db2.gz CHSKLYYTLRTIBS-UHFFFAOYSA-N 1 0 345.487 3.169 20 10 EGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000817574201 1319398574 /nfs/dbraw/zinc/39/85/74/1319398574.db2.gz LSVYGUJVXGGGPG-QGZVFWFLSA-N 1 0 332.488 3.351 20 10 EGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1nc2c(s1)CCCC2 ZINC000817939514 1319468464 /nfs/dbraw/zinc/46/84/64/1319468464.db2.gz BZQDZBGWKLFSIG-CJNGLKHVSA-N 1 0 344.528 3.439 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1 ZINC000817939448 1319468529 /nfs/dbraw/zinc/46/85/29/1319468529.db2.gz BIMHSJWDWXKLRH-PMACEKPBSA-N 1 0 325.456 3.125 20 10 EGCDRO Cc1c([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940782 1319468917 /nfs/dbraw/zinc/46/89/17/1319468917.db2.gz HSQJJYZOLPSFDT-LIRRHRJNSA-N 1 0 343.519 3.363 20 10 EGCDRO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817965742 1319479434 /nfs/dbraw/zinc/47/94/34/1319479434.db2.gz ZPMSJECVUNBDDM-SNVBAGLBSA-N 1 0 345.256 3.334 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817968066 1319481154 /nfs/dbraw/zinc/48/11/54/1319481154.db2.gz GRHZGIDUOHUHHO-ONGXEEELSA-N 1 0 331.229 3.087 20 10 EGCDRO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817973896 1319482893 /nfs/dbraw/zinc/48/28/93/1319482893.db2.gz HGAFOFJKACSMLJ-HOCLYGCPSA-N 1 0 346.393 3.220 20 10 EGCDRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000817981262 1319485530 /nfs/dbraw/zinc/48/55/30/1319485530.db2.gz QSFCFKPJCZWBHP-XLIONFOSSA-N 1 0 331.504 3.096 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4[nH]cnc4c3)C2)cc1 ZINC000818219706 1319521054 /nfs/dbraw/zinc/52/10/54/1319521054.db2.gz CUQUVCBZVJABSM-INIZCTEOSA-N 1 0 336.439 3.188 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@@H](C)n4ccnc43)C2)cc1 ZINC000818341602 1319530695 /nfs/dbraw/zinc/53/06/95/1319530695.db2.gz BQTPEQGZBAANQE-RKVPGOIHSA-N 1 0 326.444 3.014 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C=C3CCC3)C2)cc1C ZINC000961703991 1319708081 /nfs/dbraw/zinc/70/80/81/1319708081.db2.gz QKCMJZGBDNJJMK-UHFFFAOYSA-N 1 0 328.456 3.098 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000819377463 1319713407 /nfs/dbraw/zinc/71/34/07/1319713407.db2.gz QNHSRXQAOMZSIN-XLIONFOSSA-N 1 0 342.483 3.022 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000917388605 1319798034 /nfs/dbraw/zinc/79/80/34/1319798034.db2.gz PDDHDNZHOGRCJF-UHFFFAOYSA-N 1 0 333.501 3.473 20 10 EGCDRO Cc1cc(CC[NH2+][C@H](C(N)=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC000821971439 1320044277 /nfs/dbraw/zinc/04/42/77/1320044277.db2.gz UYZOFHWYXBNITN-NRFANRHFSA-N 1 0 347.462 3.453 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)ccc1N1CCCCC1 ZINC000823469078 1320181642 /nfs/dbraw/zinc/18/16/42/1320181642.db2.gz NYCAQOPNRRAVAS-IBGZPJMESA-N 1 0 339.487 3.414 20 10 EGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824716514 1320279826 /nfs/dbraw/zinc/27/98/26/1320279826.db2.gz WEXWNWVVRSUHLN-LZWOXQAQSA-N 1 0 340.261 3.280 20 10 EGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824716515 1320279844 /nfs/dbraw/zinc/27/98/44/1320279844.db2.gz WEXWNWVVRSUHLN-SQWLQELKSA-N 1 0 340.261 3.280 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1O ZINC000824844836 1320290889 /nfs/dbraw/zinc/29/08/89/1320290889.db2.gz DORWRKCFTVMDQY-GDBMZVCRSA-N 1 0 329.868 3.433 20 10 EGCDRO OC[C@H]([C@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1)C1CC1 ZINC000824845672 1320290996 /nfs/dbraw/zinc/29/09/96/1320290996.db2.gz MVGOSYNIBIRNPM-GOEBONIOSA-N 1 0 340.261 3.041 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000824954025 1320299345 /nfs/dbraw/zinc/29/93/45/1320299345.db2.gz NZLNJMODZOKTBL-CVEARBPZSA-N 1 0 348.830 3.459 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000824954027 1320299836 /nfs/dbraw/zinc/29/98/36/1320299836.db2.gz NZLNJMODZOKTBL-HOTGVXAUSA-N 1 0 348.830 3.459 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)n1-c1ccc(Cl)cc1 ZINC000825245101 1320321180 /nfs/dbraw/zinc/32/11/80/1320321180.db2.gz FFEBMKSFNNFKMP-KDOFPFPSSA-N 1 0 343.858 3.181 20 10 EGCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000825294565 1320324458 /nfs/dbraw/zinc/32/44/58/1320324458.db2.gz TZRNEOQGGAUJNB-CYBMUJFWSA-N 1 0 344.249 3.164 20 10 EGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@@H]2CCCO[C@@H]21 ZINC000825320995 1320327738 /nfs/dbraw/zinc/32/77/38/1320327738.db2.gz RFRLKJVELVVUMG-CFVMTHIKSA-N 1 0 340.261 3.448 20 10 EGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000825406508 1320336467 /nfs/dbraw/zinc/33/64/67/1320336467.db2.gz UPOZVTGAAGWNKO-HIFRSBDPSA-N 1 0 328.250 3.448 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1Cl ZINC000825773616 1320362027 /nfs/dbraw/zinc/36/20/27/1320362027.db2.gz LUKZNQDOLDJPMI-SFHVURJKSA-N 1 0 333.815 3.114 20 10 EGCDRO Cc1cnc(OC2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)nc1 ZINC000826535482 1320386274 /nfs/dbraw/zinc/38/62/74/1320386274.db2.gz XXMWPQZPZWDIAC-UHFFFAOYSA-N 1 0 347.846 3.496 20 10 EGCDRO CCCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000859007388 1328906906 /nfs/dbraw/zinc/90/69/06/1328906906.db2.gz BKRCZYKXWWVKQQ-AWEZNQCLSA-N 1 0 326.824 3.146 20 10 EGCDRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000838560202 1320791139 /nfs/dbraw/zinc/79/11/39/1320791139.db2.gz UNANWEFMLMLYCK-OAHLLOKOSA-N 1 0 334.508 3.233 20 10 EGCDRO CN(Cc1ccc2c(n1)CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000839010879 1320850613 /nfs/dbraw/zinc/85/06/13/1320850613.db2.gz DPHZZCWOKRHTTR-UHFFFAOYSA-N 1 0 325.456 3.147 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000839198448 1320892406 /nfs/dbraw/zinc/89/24/06/1320892406.db2.gz BSGDKWXKTAAXOV-LLVKDONJSA-N 1 0 339.407 3.144 20 10 EGCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(C)cc(OC)c1O)C2 ZINC000840156197 1321040962 /nfs/dbraw/zinc/04/09/62/1321040962.db2.gz IZVBZSXXQIJSNV-UHFFFAOYSA-N 1 0 341.407 3.054 20 10 EGCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000840180700 1321044303 /nfs/dbraw/zinc/04/43/03/1321044303.db2.gz XTDAPMCIAXESFJ-CYBMUJFWSA-N 1 0 338.407 3.202 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840178271 1321044661 /nfs/dbraw/zinc/04/46/61/1321044661.db2.gz OCDNXIZSNASBRH-OAHLLOKOSA-N 1 0 332.488 3.162 20 10 EGCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840183300 1321044927 /nfs/dbraw/zinc/04/49/27/1321044927.db2.gz DRCONRYURMMVGM-LJQANCHMSA-N 1 0 335.444 3.170 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000840808759 1321153679 /nfs/dbraw/zinc/15/36/79/1321153679.db2.gz LPLHMQLAYAKPMC-IFIJOSMWSA-N 1 0 345.414 3.454 20 10 EGCDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840818635 1321155923 /nfs/dbraw/zinc/15/59/23/1321155923.db2.gz SLOLFWAWDCJYHM-XWIAVFTESA-N 1 0 338.879 3.395 20 10 EGCDRO CC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000840876040 1321167332 /nfs/dbraw/zinc/16/73/32/1321167332.db2.gz IYAHLJNCRFUELI-ZDUSSCGKSA-N 1 0 333.881 3.300 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000840937723 1321181161 /nfs/dbraw/zinc/18/11/61/1321181161.db2.gz VOJNMRRMHGIXAX-UHFFFAOYSA-N 1 0 339.439 3.307 20 10 EGCDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000840975055 1321192123 /nfs/dbraw/zinc/19/21/23/1321192123.db2.gz TZJPOAKYRDXSRN-OAHLLOKOSA-N 1 0 345.512 3.387 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000840976287 1321192147 /nfs/dbraw/zinc/19/21/47/1321192147.db2.gz OAERJISGFQVJBE-QGZVFWFLSA-N 1 0 349.482 3.363 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)cc1O ZINC000840976631 1321192564 /nfs/dbraw/zinc/19/25/64/1321192564.db2.gz OXBDMYGGWRBVIL-HNNXBMFYSA-N 1 0 328.456 3.496 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840976657 1321192650 /nfs/dbraw/zinc/19/26/50/1321192650.db2.gz PFNSIVVQIFXHQU-OAHLLOKOSA-N 1 0 328.456 3.496 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC000840978777 1321193141 /nfs/dbraw/zinc/19/31/41/1321193141.db2.gz SAQIODJDVMNDDO-LJQANCHMSA-N 1 0 332.444 3.368 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000841027197 1321203285 /nfs/dbraw/zinc/20/32/85/1321203285.db2.gz ZKDMDGGKIUYBPL-FXAWDEMLSA-N 1 0 338.451 3.155 20 10 EGCDRO Cc1ccc2cc(C[NH2+]C[C@H](N)c3ccc(N(C)C)cc3)ccc2n1 ZINC000841042722 1321207697 /nfs/dbraw/zinc/20/76/97/1321207697.db2.gz MVIYQTVRJWRGON-FQEVSTJZSA-N 1 0 334.467 3.399 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000841042972 1321208289 /nfs/dbraw/zinc/20/82/89/1321208289.db2.gz NFRXJZXGSNYXQO-QGZVFWFLSA-N 1 0 335.398 3.144 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2nc3ccc(F)cc3s2)cc1 ZINC000841044095 1321208761 /nfs/dbraw/zinc/20/87/61/1321208761.db2.gz VKBUYBMTRBHIMR-HNNXBMFYSA-N 1 0 344.459 3.291 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000841302545 1321250623 /nfs/dbraw/zinc/25/06/23/1321250623.db2.gz ZMFLZRHBCIGOTR-IBGZPJMESA-N 1 0 340.471 3.343 20 10 EGCDRO C[NH2+]Cc1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000841312917 1321254032 /nfs/dbraw/zinc/25/40/32/1321254032.db2.gz JZBDUABAAHJHRH-UHFFFAOYSA-N 1 0 338.455 3.110 20 10 EGCDRO C[NH2+]Cc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000841333313 1321258999 /nfs/dbraw/zinc/25/89/99/1321258999.db2.gz WOYJPGGUUUDOPM-UHFFFAOYSA-N 1 0 338.455 3.110 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841756128 1321307537 /nfs/dbraw/zinc/30/75/37/1321307537.db2.gz REAGJSBXZUVNTI-LLVKDONJSA-N 1 0 339.844 3.300 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000841998779 1321334330 /nfs/dbraw/zinc/33/43/30/1321334330.db2.gz YZNQIMUYCPWUFU-QGZVFWFLSA-N 1 0 327.428 3.014 20 10 EGCDRO CC[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000843051348 1321462053 /nfs/dbraw/zinc/46/20/53/1321462053.db2.gz WXBRFPSZADHZOR-LRDDRELGSA-N 1 0 329.410 3.331 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000843052538 1321462440 /nfs/dbraw/zinc/46/24/40/1321462440.db2.gz VNABLLHUOSFTPM-NWDGAFQWSA-N 1 0 327.266 3.022 20 10 EGCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2ccccc2)cc1O ZINC000843122809 1321473136 /nfs/dbraw/zinc/47/31/36/1321473136.db2.gz VFCJCWVHXBTDLK-ROUUACIJSA-N 1 0 344.430 3.103 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]Cc3ccccc32)c1O ZINC000843348286 1321503443 /nfs/dbraw/zinc/50/34/43/1321503443.db2.gz BLOSNUMOYPRUSJ-UHFFFAOYSA-N 1 0 330.815 3.358 20 10 EGCDRO CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000843351280 1321504531 /nfs/dbraw/zinc/50/45/31/1321504531.db2.gz ITTANKGKYRQOOL-SFHVURJKSA-N 1 0 337.427 3.334 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2ccccc2CC[NH2+]C)cc1 ZINC000844172933 1321575580 /nfs/dbraw/zinc/57/55/80/1321575580.db2.gz KITCNNQAPGBOQF-UHFFFAOYSA-N 1 0 339.483 3.225 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000844186430 1321576625 /nfs/dbraw/zinc/57/66/25/1321576625.db2.gz JNQFGQXBWNEICJ-QGZVFWFLSA-N 1 0 331.847 3.031 20 10 EGCDRO COc1cc(F)c(C[NH2+]Cc2cc(Cl)ccc2O)cc1OC ZINC000846055107 1321765288 /nfs/dbraw/zinc/76/52/88/1321765288.db2.gz IUOZSAZKJDVLTI-UHFFFAOYSA-N 1 0 325.767 3.492 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1C1CC1 ZINC000846120786 1321769537 /nfs/dbraw/zinc/76/95/37/1321769537.db2.gz SIOGLJKEWXSSMG-ZWKOTPCHSA-N 1 0 325.408 3.176 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(O)CCCc3ccccc32)c1O ZINC000846144949 1321771607 /nfs/dbraw/zinc/77/16/07/1321771607.db2.gz LETMNUZIEWIJKR-VBKZILBWSA-N 1 0 327.424 3.276 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1O ZINC000846156041 1321772820 /nfs/dbraw/zinc/77/28/20/1321772820.db2.gz RTLPBAXXUHGCMS-JKIFEVAISA-N 1 0 340.423 3.245 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)C(=O)NCc1cccs1 ZINC000846172397 1321773739 /nfs/dbraw/zinc/77/37/39/1321773739.db2.gz LWNVLIGVPOPLNQ-DOMZBBRYSA-N 1 0 348.468 3.208 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000846202895 1321775404 /nfs/dbraw/zinc/77/54/04/1321775404.db2.gz XTOWVUFNJRYMDP-UHFFFAOYSA-N 1 0 345.418 3.112 20 10 EGCDRO Cc1cnc(OC2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)nc1 ZINC000848495020 1321964805 /nfs/dbraw/zinc/96/48/05/1321964805.db2.gz XRMAHNJTQMNFNK-UHFFFAOYSA-N 1 0 327.428 3.151 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)ccc1OC ZINC000848576107 1321979052 /nfs/dbraw/zinc/97/90/52/1321979052.db2.gz ZVCRTXRENMTDBQ-RTBURBONSA-N 1 0 332.488 3.338 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1O ZINC000848890548 1322032012 /nfs/dbraw/zinc/03/20/12/1322032012.db2.gz RJYLVRYSQPCQJT-UXHICEINSA-N 1 0 341.451 3.279 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1O ZINC000848891380 1322032070 /nfs/dbraw/zinc/03/20/70/1322032070.db2.gz QGIHPXONIDIMOU-QGZVFWFLSA-N 1 0 346.496 3.179 20 10 EGCDRO CCc1cccc(C[NH2+]CCCNC(=O)c2cccc(F)c2)c1O ZINC000848897335 1322036541 /nfs/dbraw/zinc/03/65/41/1322036541.db2.gz PEGRSURDOCNERO-UHFFFAOYSA-N 1 0 330.403 3.003 20 10 EGCDRO COC(=O)/C=C/c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)o1 ZINC000848910860 1322042694 /nfs/dbraw/zinc/04/26/94/1322042694.db2.gz AHIMXAKZSZLLPC-YPUOHESYSA-N 1 0 331.368 3.031 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c1O ZINC000848919532 1322045365 /nfs/dbraw/zinc/04/53/65/1322045365.db2.gz MRHIQTYXZXKFRF-CQSZACIVSA-N 1 0 339.439 3.335 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](CC)C(=O)NCc2cccs2)c1O ZINC000848919816 1322045534 /nfs/dbraw/zinc/04/55/34/1322045534.db2.gz SSUCTQKTZQUPMK-MRXNPFEDSA-N 1 0 332.469 3.201 20 10 EGCDRO [NH2+]=C(NCCCSc1nccs1)N[C@H]1CCOc2ccccc21 ZINC000849100349 1322078551 /nfs/dbraw/zinc/07/85/51/1322078551.db2.gz PNWQBABNVUFEBC-ZDUSSCGKSA-N 1 0 348.497 3.263 20 10 EGCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850033473 1322186115 /nfs/dbraw/zinc/18/61/15/1322186115.db2.gz AVJNCJBWFQRZPJ-CYBMUJFWSA-N 1 0 336.476 3.093 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850235081 1322212502 /nfs/dbraw/zinc/21/25/02/1322212502.db2.gz QXFSNRRRGDRMRG-MGPUTAFESA-N 1 0 349.471 3.126 20 10 EGCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000850373135 1322236188 /nfs/dbraw/zinc/23/61/88/1322236188.db2.gz FEQGJGHAIRZYAU-CQSZACIVSA-N 1 0 341.293 3.300 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccc1C ZINC000850406805 1322240602 /nfs/dbraw/zinc/24/06/02/1322240602.db2.gz UPYAARAFWIECTP-UHFFFAOYSA-N 1 0 340.467 3.255 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000850516547 1322259786 /nfs/dbraw/zinc/25/97/86/1322259786.db2.gz WYJPWXQOPNLIFX-WDEREUQCSA-N 1 0 328.250 3.275 20 10 EGCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000850556774 1322266124 /nfs/dbraw/zinc/26/61/24/1322266124.db2.gz LUXLGEBRPLBXMN-QAPCUYQASA-N 1 0 331.504 3.440 20 10 EGCDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000850555722 1322266696 /nfs/dbraw/zinc/26/66/96/1322266696.db2.gz PTEBXVSTFCJLBV-AAEUAGOBSA-N 1 0 327.266 3.290 20 10 EGCDRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566741 1322269064 /nfs/dbraw/zinc/26/90/64/1322269064.db2.gz RSNTTYFEWXAELO-OAHLLOKOSA-N 1 0 330.497 3.430 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000850567465 1322269353 /nfs/dbraw/zinc/26/93/53/1322269353.db2.gz CTDCOTOLFIYYPR-IBGZPJMESA-N 1 0 338.451 3.130 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000922936937 1322653639 /nfs/dbraw/zinc/65/36/39/1322653639.db2.gz QWCPQYUWYWUBCR-GOSISDBHSA-N 1 0 346.496 3.280 20 10 EGCDRO Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923402113 1322745663 /nfs/dbraw/zinc/74/56/63/1322745663.db2.gz TZYFMFKAJQWFMW-LSDHHAIUSA-N 1 0 329.410 3.020 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C3CC(C)C3)C2)cc1C ZINC001023927200 1323033420 /nfs/dbraw/zinc/03/34/20/1323033420.db2.gz WIRABDIXAFSHPO-OBONGRFPSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CC23CC3)cc1C ZINC001025097698 1323892894 /nfs/dbraw/zinc/89/28/94/1323892894.db2.gz BLCCYOCDCRJHIN-QZTJIDSGSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(C4CC4)CC3)C2)cc1C ZINC001026906455 1325070242 /nfs/dbraw/zinc/07/02/42/1325070242.db2.gz RBHFYHZCALUIIU-QGZVFWFLSA-N 1 0 342.483 3.132 20 10 EGCDRO CCc1cc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000853542413 1325119356 /nfs/dbraw/zinc/11/93/56/1325119356.db2.gz ZVVPFZLQVYIINA-INIZCTEOSA-N 1 0 346.471 3.279 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(C(C)C)CC3)C2)cc1C ZINC001027048295 1325184725 /nfs/dbraw/zinc/18/47/25/1325184725.db2.gz GUUOLPPZGFGJKB-SFHVURJKSA-N 1 0 344.499 3.378 20 10 EGCDRO Fc1cc(C[NH+]2CC(Cc3ccsc3)C2)ccc1N1CCOCC1 ZINC000857067710 1325565951 /nfs/dbraw/zinc/56/59/51/1325565951.db2.gz GBRXHZAYHHLRSO-UHFFFAOYSA-N 1 0 346.471 3.398 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000857068400 1325567555 /nfs/dbraw/zinc/56/75/55/1325567555.db2.gz SGIOGVHAKIDBOJ-TZMCWYRMSA-N 1 0 330.350 3.073 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926612665 1327634878 /nfs/dbraw/zinc/63/48/78/1327634878.db2.gz QPBZRBFEVDHAFN-JKSUJKDBSA-N 1 0 341.455 3.276 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCC[C@@H]3CCCO)C2)cc1 ZINC000926613125 1327636085 /nfs/dbraw/zinc/63/60/85/1327636085.db2.gz SUCGGDHEKLNURC-OPYAIIAOSA-N 1 0 346.515 3.442 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccccc3F)C2)cc1C ZINC000966377612 1328282095 /nfs/dbraw/zinc/28/20/95/1328282095.db2.gz CDPPXQCGUDWZIO-MRXNPFEDSA-N 1 0 342.414 3.147 20 10 EGCDRO CCOC(=O)CC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862225202 1329467690 /nfs/dbraw/zinc/46/76/90/1329467690.db2.gz PHYKZEVKKSGKOV-UHFFFAOYSA-N 1 0 340.414 3.196 20 10 EGCDRO CN(C)c1cc(F)c(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1F ZINC000862244558 1329470361 /nfs/dbraw/zinc/47/03/61/1329470361.db2.gz PMOYWADQHKULGW-UHFFFAOYSA-N 1 0 340.414 3.006 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(C)c(Br)cn2)c(O)c1 ZINC000862353543 1329477484 /nfs/dbraw/zinc/47/74/84/1329477484.db2.gz RIRRHTNHNXCTQS-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862379188 1329480400 /nfs/dbraw/zinc/48/04/00/1329480400.db2.gz IXWZYGRLAMKRBW-MRXNPFEDSA-N 1 0 342.277 3.385 20 10 EGCDRO C[C@H]1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)C1(F)F ZINC000862442272 1329487586 /nfs/dbraw/zinc/48/75/86/1329487586.db2.gz HIWGYBOOGONRPY-KBPBESRZSA-N 1 0 342.405 3.385 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c(O)c1 ZINC000862483616 1329490151 /nfs/dbraw/zinc/49/01/51/1329490151.db2.gz VORMEQXAPJYGSB-FQEVSTJZSA-N 1 0 327.424 3.275 20 10 EGCDRO CCOc1ccc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000862540896 1329494136 /nfs/dbraw/zinc/49/41/36/1329494136.db2.gz MBKGMZAUDKRYSG-ZDUSSCGKSA-N 1 0 338.448 3.136 20 10 EGCDRO CCOc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000862540895 1329494316 /nfs/dbraw/zinc/49/43/16/1329494316.db2.gz MBKGMZAUDKRYSG-CYBMUJFWSA-N 1 0 338.448 3.136 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000862758711 1329507258 /nfs/dbraw/zinc/50/72/58/1329507258.db2.gz IDWUMRBMPMJLFE-SFHVURJKSA-N 1 0 338.451 3.229 20 10 EGCDRO CCN(CC[NH3+])CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000863550975 1329562235 /nfs/dbraw/zinc/56/22/35/1329562235.db2.gz GMZVDEYFJWDUFL-UHFFFAOYSA-N 1 0 325.416 3.321 20 10 EGCDRO COc1cccc(Nc2ccc(NC[C@H](O)C[N@H+](C)C3CC3)cc2)c1 ZINC000863567731 1329563801 /nfs/dbraw/zinc/56/38/01/1329563801.db2.gz FZZWRHWNSQHFFV-IBGZPJMESA-N 1 0 341.455 3.306 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[N@H+](C)C1CCC1 ZINC000863852671 1329585893 /nfs/dbraw/zinc/58/58/93/1329585893.db2.gz VHRMJCQOCIUZHK-UHFFFAOYSA-N 1 0 329.488 3.120 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)OCO2 ZINC000865650940 1329725087 /nfs/dbraw/zinc/72/50/87/1329725087.db2.gz RGVSABZNAHQKQQ-KDOFPFPSSA-N 1 0 347.798 3.394 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000865720671 1329732389 /nfs/dbraw/zinc/73/23/89/1329732389.db2.gz FUUASGGNYLSICD-UHFFFAOYSA-N 1 0 349.887 3.284 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cc(Br)ccc1O ZINC000866464834 1330115867 /nfs/dbraw/zinc/11/58/67/1330115867.db2.gz ZAJFQSYEMINPCF-HFJPGXAFSA-N 1 0 342.155 3.117 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C2)cc1C ZINC000969645993 1336233009 /nfs/dbraw/zinc/23/30/09/1336233009.db2.gz NKGPQXGVIJRUEE-GOSISDBHSA-N 1 0 342.483 3.274 20 10 EGCDRO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671835 1337057919 /nfs/dbraw/zinc/05/79/19/1337057919.db2.gz KAUMNGMACTZMHM-INIZCTEOSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CC2(C)CC2)cc1C ZINC001034997255 1342869527 /nfs/dbraw/zinc/86/95/27/1342869527.db2.gz YKYATEZYMWOIRL-QGZVFWFLSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCC3)C[C@@H]2C)cc1C ZINC001035883668 1343247301 /nfs/dbraw/zinc/24/73/01/1343247301.db2.gz XMQYBGCJKZPULB-YJBOKZPZSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3=CCCC3)C[C@H]2C)cc1C ZINC001035998030 1343307465 /nfs/dbraw/zinc/30/74/65/1343307465.db2.gz RDIDNRHVMKIAPD-APWZRJJASA-N 1 0 342.483 3.441 20 10 EGCDRO CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001036472283 1343503956 /nfs/dbraw/zinc/50/39/56/1343503956.db2.gz KIKQMMZZLNIWHW-HIFRSBDPSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C=C(C)C)[C@@H](C)C2)cc1C ZINC001044432895 1346329026 /nfs/dbraw/zinc/32/90/26/1346329026.db2.gz PWWVNLKXFJXQQO-WMZOPIPTSA-N 1 0 330.472 3.439 20 10 EGCDRO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001044876567 1346452825 /nfs/dbraw/zinc/45/28/25/1346452825.db2.gz GJCHOMCURLQOIE-CZUORRHYSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C(C)(C)F)C2)cc1C ZINC001047672967 1347324723 /nfs/dbraw/zinc/32/47/23/1347324723.db2.gz QSKXEGLPOQOETA-GOEBONIOSA-N 1 0 336.451 3.078 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C3=CCCC3)C2)cc1C ZINC001047790490 1347372729 /nfs/dbraw/zinc/37/27/29/1347372729.db2.gz NKNBGBHJIUIFHH-LPHOPBHVSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]2C)cc1C ZINC001048140864 1347479057 /nfs/dbraw/zinc/47/90/57/1347479057.db2.gz QYKWBMLMENBWRX-MAUKXSAKSA-N 1 0 342.439 3.095 20 10 EGCDRO C/C=C(\C)C(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001048207743 1347494686 /nfs/dbraw/zinc/49/46/86/1347494686.db2.gz COZMWKJOXWKQFL-DOAMCODZSA-N 1 0 330.472 3.154 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C=C3CCC3)C[C@@H]2C)cc1C ZINC001054574435 1349404390 /nfs/dbraw/zinc/40/43/90/1349404390.db2.gz WQEFJWQSRSSRHP-MAUKXSAKSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)=C3CCC3)C[C@@H]2C)cc1C ZINC001054633634 1349422995 /nfs/dbraw/zinc/42/29/95/1349422995.db2.gz AJCGOOXIHNCOEI-HNAYVOBHSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(F)CCCC3)C[C@H]2C)cc1C ZINC001054823551 1349479374 /nfs/dbraw/zinc/47/93/74/1349479374.db2.gz NRTKGHQEXAMUPB-NVXWUHKLSA-N 1 0 348.462 3.222 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCCC3(COC3)C2)c1O ZINC001233107366 1376570333 /nfs/dbraw/zinc/57/03/33/1376570333.db2.gz ANJIXLHVRAFTAA-UHFFFAOYSA-N 1 0 326.234 3.076 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC=CCC3)C2)cc1C ZINC001086027621 1358972149 /nfs/dbraw/zinc/97/21/49/1358972149.db2.gz YUAGMLGIYVPSCI-QRVBRYPASA-N 1 0 342.483 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC3(C)C)C2)cc1C ZINC001090989205 1360970042 /nfs/dbraw/zinc/97/00/42/1360970042.db2.gz XENHSIPZMNQLKU-JCYILVPMSA-N 1 0 330.472 3.034 20 10 EGCDRO c1ncn(Cc2ccc(C[NH2+]Cc3ccc(N4CCCC4)cc3)cc2)n1 ZINC001323930875 1387497960 /nfs/dbraw/zinc/49/79/60/1387497960.db2.gz OHFLKNCCEGNYHH-UHFFFAOYSA-N 1 0 347.466 3.216 20 10 EGCDRO CCCC[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001193085244 1367939534 /nfs/dbraw/zinc/93/95/34/1367939534.db2.gz WWVJYSQCAXOHOF-HNNXBMFYSA-N 1 0 333.476 3.235 20 10 EGCDRO CCCC[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001201706137 1369609458 /nfs/dbraw/zinc/60/94/58/1369609458.db2.gz KPOVWZSRSYSHIJ-FQEVSTJZSA-N 1 0 332.488 3.414 20 10 EGCDRO O=C(Nc1ccccc1F)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001202007821 1369666218 /nfs/dbraw/zinc/66/62/18/1369666218.db2.gz KKTSDJNHUHIQBE-UHFFFAOYSA-N 1 0 343.402 3.317 20 10 EGCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203561346 1370169960 /nfs/dbraw/zinc/16/99/60/1370169960.db2.gz RGLNTCYVESRCMP-HNNXBMFYSA-N 1 0 334.460 3.471 20 10 EGCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001203592584 1370181157 /nfs/dbraw/zinc/18/11/57/1370181157.db2.gz HKBBAYFJGAIHBY-KRWDZBQOSA-N 1 0 349.471 3.056 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2ccc(C)o2)c1O ZINC001203591102 1370181523 /nfs/dbraw/zinc/18/15/23/1370181523.db2.gz BMQXOADBPVARLH-MSOLQXFVSA-N 1 0 342.439 3.151 20 10 EGCDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1cccc(OC)c1O ZINC001203596872 1370182846 /nfs/dbraw/zinc/18/28/46/1370182846.db2.gz QQFGYRSLGDPHAR-HNNXBMFYSA-N 1 0 345.439 3.447 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001203602333 1370184893 /nfs/dbraw/zinc/18/48/93/1370184893.db2.gz PUDRPGTXQRXGLW-LRDDRELGSA-N 1 0 347.377 3.316 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2cccc(C(=O)OC)c2)c1O ZINC001203615399 1370188623 /nfs/dbraw/zinc/18/86/23/1370188623.db2.gz VBSJXOHTXUQTCJ-UHFFFAOYSA-N 1 0 329.396 3.210 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001203635363 1370195969 /nfs/dbraw/zinc/19/59/69/1370195969.db2.gz RBFPHBYERMTNDS-IAGOWNOFSA-N 1 0 340.467 3.496 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001203635788 1370196106 /nfs/dbraw/zinc/19/61/06/1370196106.db2.gz GPYFYIRIZGYOIN-IAQYHMDHSA-N 1 0 326.234 3.156 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC001203657221 1370204003 /nfs/dbraw/zinc/20/40/03/1370204003.db2.gz IICNUWZOGSNCMV-UHFFFAOYSA-N 1 0 330.859 3.406 20 10 EGCDRO Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665608 1370208597 /nfs/dbraw/zinc/20/85/97/1370208597.db2.gz PDIJQHSRKCJTNX-OAHLLOKOSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c1 ZINC001203670028 1370210470 /nfs/dbraw/zinc/21/04/70/1370210470.db2.gz KCJHSNIXRILWFH-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO COc1ccc(O)c(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)c1 ZINC001203671785 1370211144 /nfs/dbraw/zinc/21/11/44/1370211144.db2.gz XSNVGARTAOLAIU-HZPDHXFCSA-N 1 0 344.480 3.026 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(C)cc3C)CC2)c1 ZINC001203680411 1370216442 /nfs/dbraw/zinc/21/64/42/1370216442.db2.gz VXDSXFHRTHSEPB-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3)CC2)c1 ZINC001203684150 1370216785 /nfs/dbraw/zinc/21/67/85/1370216785.db2.gz NSBRIZCSYATQJD-HNNXBMFYSA-N 1 0 344.430 3.419 20 10 EGCDRO Oc1ccc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)cc1O ZINC001203879842 1370297604 /nfs/dbraw/zinc/29/76/04/1370297604.db2.gz JEBFURAWRAEDCQ-UHFFFAOYSA-N 1 0 325.408 3.458 20 10 EGCDRO COc1ccc(CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)O)cc1 ZINC001203930289 1370318187 /nfs/dbraw/zinc/31/81/87/1370318187.db2.gz QWURYEUQWNEDGK-KRWDZBQOSA-N 1 0 342.483 3.187 20 10 EGCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2cn(CC)nc21 ZINC001203933777 1370320326 /nfs/dbraw/zinc/32/03/26/1370320326.db2.gz QEOKVHXTHQQZDF-SFHVURJKSA-N 1 0 342.487 3.105 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC(=O)N(CC)C3)CC2)cc1 ZINC001203943751 1370324250 /nfs/dbraw/zinc/32/42/50/1370324250.db2.gz GLHSVMOWYKIRMM-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO CCCCC[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001203998714 1370343363 /nfs/dbraw/zinc/34/33/63/1370343363.db2.gz CDQXUXABXJDZFJ-UHFFFAOYSA-N 1 0 345.447 3.233 20 10 EGCDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204275386 1370429084 /nfs/dbraw/zinc/42/90/84/1370429084.db2.gz PXPUOXNFYBZLQD-INIZCTEOSA-N 1 0 329.396 3.150 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)cc2O)C1 ZINC001204276011 1370429179 /nfs/dbraw/zinc/42/91/79/1370429179.db2.gz DLHZWVOSYUZYHR-LJQANCHMSA-N 1 0 348.443 3.073 20 10 EGCDRO Oc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c(O)c1 ZINC001204274718 1370429303 /nfs/dbraw/zinc/42/93/03/1370429303.db2.gz HKFTUOYYWOXQNH-UHFFFAOYSA-N 1 0 332.831 3.069 20 10 EGCDRO CN(Cc1ccccc1F)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277909 1370430365 /nfs/dbraw/zinc/43/03/65/1370430365.db2.gz OLZLAGBMSJWXFT-UHFFFAOYSA-N 1 0 344.430 3.333 20 10 EGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)o1 ZINC001204329175 1370445472 /nfs/dbraw/zinc/44/54/72/1370445472.db2.gz ZXFHMEGHBULQGI-KRWDZBQOSA-N 1 0 326.444 3.358 20 10 EGCDRO COc1ccc(C2CC[NH+](Cc3cc(O)c(O)c(OC)c3)CC2)cc1 ZINC001204341402 1370448612 /nfs/dbraw/zinc/44/86/12/1370448612.db2.gz BRJTXZYQYUVRGZ-UHFFFAOYSA-N 1 0 343.423 3.495 20 10 EGCDRO CCCCN(CCCC)c1ccc(CN2C[C@H]([NH3+])[C@@H](F)C2)c(O)c1 ZINC001204891965 1370598454 /nfs/dbraw/zinc/59/84/54/1370598454.db2.gz RNSVOJWWJTXSDN-ROUUACIJSA-N 1 0 337.483 3.280 20 10 EGCDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c(O)c1 ZINC001205186398 1370674160 /nfs/dbraw/zinc/67/41/60/1370674160.db2.gz YFPDIONCJOCRRX-UHFFFAOYSA-N 1 0 331.412 3.358 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])CC[C@H]1C[NH3+] 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3.237 20 10 EGCDRO CCOC(CC[NH2+]Cc1c(O)cccc1Br)OCC ZINC001118859125 1371242071 /nfs/dbraw/zinc/24/20/71/1371242071.db2.gz CTRAWWVQARXSKN-UHFFFAOYSA-N 1 0 332.238 3.034 20 10 EGCDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001119819520 1371409110 /nfs/dbraw/zinc/40/91/10/1371409110.db2.gz NWTLCKWSZGYHLP-OAHLLOKOSA-N 1 0 343.423 3.406 20 10 EGCDRO CC/C=C(/C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207566172 1371437476 /nfs/dbraw/zinc/43/74/76/1371437476.db2.gz OETRAYCTYVFTNA-CFQIGZHASA-N 1 0 330.472 3.441 20 10 EGCDRO CCOC(=O)CCCCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001209348643 1372073510 /nfs/dbraw/zinc/07/35/10/1372073510.db2.gz SUKXBXRXLGDKAS-UHFFFAOYSA-N 1 0 348.487 3.331 20 10 EGCDRO C[C@@H]1C[C@H]1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001209425570 1372104111 /nfs/dbraw/zinc/10/41/11/1372104111.db2.gz FUNHSTGGAYXYMY-MJGOQNOKSA-N 1 0 337.467 3.439 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)cc1 ZINC001209516823 1372126904 /nfs/dbraw/zinc/12/69/04/1372126904.db2.gz PSMVKLWQKWYQCS-OAQYLSRUSA-N 1 0 337.467 3.196 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC001209517583 1372127002 /nfs/dbraw/zinc/12/70/02/1372127002.db2.gz IDYFOXPAJGWKGF-NRFANRHFSA-N 1 0 339.483 3.001 20 10 EGCDRO COc1cc(Cl)cc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)c1O ZINC001210383432 1372338879 /nfs/dbraw/zinc/33/88/79/1372338879.db2.gz ODVDQSJIUZGZLH-KRWDZBQOSA-N 1 0 346.858 3.071 20 10 EGCDRO C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC001326474334 1388206821 /nfs/dbraw/zinc/20/68/21/1388206821.db2.gz VEZRPQZICFTPTD-IUCAKERBSA-N 1 0 335.673 3.457 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC3(CC3)C2)cc1C ZINC001127234886 1373106835 /nfs/dbraw/zinc/10/68/35/1373106835.db2.gz HAVNEUJLFBJAET-QGZVFWFLSA-N 1 0 330.472 3.180 20 10 EGCDRO C[NH2+]CCC(=O)N(c1ccc(N)cc1)c1ccc2ccccc2c1N ZINC001219474215 1373710846 /nfs/dbraw/zinc/71/08/46/1373710846.db2.gz QRYOBCZXNTVYRA-UHFFFAOYSA-N 1 0 334.423 3.278 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc1C ZINC001131746553 1373783003 /nfs/dbraw/zinc/78/30/03/1373783003.db2.gz TWMWBDOPKSQKRV-RTBURBONSA-N 1 0 344.499 3.426 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCSC)cc1C ZINC001133606675 1376116847 /nfs/dbraw/zinc/11/68/47/1376116847.db2.gz NQAYYFZOPZTPQS-LSDHHAIUSA-N 1 0 338.517 3.130 20 10 EGCDRO COCC1CC[NH+](Cc2c(Br)ccc(OC)c2O)CC1 ZINC001231547762 1376261906 /nfs/dbraw/zinc/26/19/06/1376261906.db2.gz IPRUHOHKLROHIR-UHFFFAOYSA-N 1 0 344.249 3.022 20 10 EGCDRO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1cccc(C)c1O)C2 ZINC001231593363 1376273118 /nfs/dbraw/zinc/27/31/18/1376273118.db2.gz VDRKVYGHJXFOBW-UHFFFAOYSA-N 1 0 331.437 3.497 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c1O ZINC001231593870 1376273168 /nfs/dbraw/zinc/27/31/68/1376273168.db2.gz VYWZUEDCBIALIR-UHFFFAOYSA-N 1 0 335.407 3.351 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCn3cnc(COC(C)C)c3C2)c1O ZINC001231593755 1376274079 /nfs/dbraw/zinc/27/40/79/1376274079.db2.gz UJYWUZHOROFCJK-UHFFFAOYSA-N 1 0 329.444 3.228 20 10 EGCDRO Cc1cccc(C[N@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c1O ZINC001231593326 1376274391 /nfs/dbraw/zinc/27/43/91/1376274391.db2.gz UMUZGEUIFWJZQQ-GUDVDZBRSA-N 1 0 333.472 3.495 20 10 EGCDRO Cc1cc(C)c(C[N@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c(O)c1 ZINC001231846033 1376325218 /nfs/dbraw/zinc/32/52/18/1376325218.db2.gz YWOBMTHXAQDXHZ-HXUWFJFHSA-N 1 0 330.472 3.232 20 10 EGCDRO CC[C@@H]1[N@H+](Cc2cc(Cl)c(C)cc2O)CCC[C@]12CCC(=O)N2 ZINC001231866417 1376328806 /nfs/dbraw/zinc/32/88/06/1376328806.db2.gz DSDSSVPBMOPEGV-WMZOPIPTSA-N 1 0 336.863 3.377 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(Oc3ncccn3)CC2)cc1Cl ZINC001231870538 1376330886 /nfs/dbraw/zinc/33/08/86/1376330886.db2.gz HWZDJCYCFCETGH-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1Cl ZINC001231871118 1376334685 /nfs/dbraw/zinc/33/46/85/1376334685.db2.gz YZVAAVHCKHZBDC-INIZCTEOSA-N 1 0 336.863 3.331 20 10 EGCDRO CCO[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202583 1376416879 /nfs/dbraw/zinc/41/68/79/1376416879.db2.gz BSPVWWQRANQVHT-INIZCTEOSA-N 1 0 338.879 3.178 20 10 EGCDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C)C1=O ZINC001233285230 1376604320 /nfs/dbraw/zinc/60/43/20/1376604320.db2.gz YMGWFVXPNCAOSA-BTYIYWSLSA-N 1 0 344.499 3.380 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c(O)ccc(F)c1F ZINC001233334473 1376618612 /nfs/dbraw/zinc/61/86/12/1376618612.db2.gz IKBWHKQGWKOUNI-AWEZNQCLSA-N 1 0 332.394 3.377 20 10 EGCDRO OCC[N@H+](Cc1ccccc1)Cc1cccc(OC(F)(F)F)c1O ZINC001233726670 1376703799 /nfs/dbraw/zinc/70/37/99/1376703799.db2.gz FPNKEHXDDFCPOC-UHFFFAOYSA-N 1 0 341.329 3.285 20 10 EGCDRO CC[C@H](C)c1cc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001134970037 1376818512 /nfs/dbraw/zinc/81/85/12/1376818512.db2.gz OXRSVHHMBNEAQE-ZDUSSCGKSA-N 1 0 345.443 3.025 20 10 EGCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c(O)c1 ZINC001237052282 1376971400 /nfs/dbraw/zinc/97/14/00/1376971400.db2.gz VTCZEOMWDYONDF-KRWDZBQOSA-N 1 0 327.428 3.349 20 10 EGCDRO CC(C)C[NH+]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051096 1376971670 /nfs/dbraw/zinc/97/16/70/1376971670.db2.gz CDMVJLXMCBXCQN-UHFFFAOYSA-N 1 0 346.393 3.107 20 10 EGCDRO COc1cc(C[NH+]2CCC(c3ccncc3)CC2)c(O)c(OC)c1 ZINC001237676439 1376982284 /nfs/dbraw/zinc/98/22/84/1376982284.db2.gz OFDRFBMCTMCQOZ-UHFFFAOYSA-N 1 0 328.412 3.184 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)cc1Br ZINC001237676472 1376982543 /nfs/dbraw/zinc/98/25/43/1376982543.db2.gz IMOKBLHDPUNFLZ-XHDPSFHLSA-N 1 0 328.250 3.056 20 10 EGCDRO COc1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237676198 1376983623 /nfs/dbraw/zinc/98/36/23/1376983623.db2.gz GPJFDTLQLDGQJX-HNNXBMFYSA-N 1 0 348.487 3.248 20 10 EGCDRO CC[C@@H]1C[C@H](N2CCc3c(c4cc(OC)ccc4n3C)C2)CC[NH2+]1 ZINC001246820040 1377055068 /nfs/dbraw/zinc/05/50/68/1377055068.db2.gz DWOOOQKASSWOFF-HUUCEWRRSA-N 1 0 327.472 3.076 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC001137048916 1377467024 /nfs/dbraw/zinc/46/70/24/1377467024.db2.gz PDRHGAYFXKMQKQ-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)c(C)c1 ZINC001137048705 1377467258 /nfs/dbraw/zinc/46/72/58/1377467258.db2.gz DGQVRSVUGGXVCO-UHFFFAOYSA-N 1 0 336.439 3.202 20 10 EGCDRO Oc1cccc(F)c1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001137841846 1377629074 /nfs/dbraw/zinc/62/90/74/1377629074.db2.gz XLSCMNZNGDPBAA-APWZRJJASA-N 1 0 326.415 3.238 20 10 EGCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC001138222372 1377691160 /nfs/dbraw/zinc/69/11/60/1377691160.db2.gz UQMGLBRREMBFQW-UYAOXDASSA-N 1 0 341.499 3.120 20 10 EGCDRO Cc1c(C[NH+]2CCN(Cc3cccnc3)CC2)c2ccccc2n1C ZINC001138252336 1377694125 /nfs/dbraw/zinc/69/41/25/1377694125.db2.gz CIYJFHOJICKVQW-UHFFFAOYSA-N 1 0 334.467 3.200 20 10 EGCDRO CC(=O)N1CCC2(C1)CC[NH+](Cc1c(C)n(C)c3ccccc31)CC2 ZINC001138253982 1377694212 /nfs/dbraw/zinc/69/42/12/1377694212.db2.gz MSQRXLYRBNXWOT-UHFFFAOYSA-N 1 0 339.483 3.321 20 10 EGCDRO Cc1c(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c2ccccc2n1C ZINC001138259885 1377694871 /nfs/dbraw/zinc/69/48/71/1377694871.db2.gz PSNYRJUBOXXAKF-MRXNPFEDSA-N 1 0 336.439 3.238 20 10 EGCDRO Cc1c(C[NH+]2CC(N3CCC(F)(F)CC3)C2)c2ccccc2n1C ZINC001138257932 1377694935 /nfs/dbraw/zinc/69/49/35/1377694935.db2.gz DVAKXZFOIHYGTJ-UHFFFAOYSA-N 1 0 333.426 3.402 20 10 EGCDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2c(C)n(C)c3ccccc23)C(C)C)C1 ZINC001138260217 1377695624 /nfs/dbraw/zinc/69/56/24/1377695624.db2.gz ZNVSGAQIZJJQNZ-QGZVFWFLSA-N 1 0 327.472 3.318 20 10 EGCDRO CN1CCCc2cc(C[N@@H+]3CCc4cc5c(cc4C3)OCO5)ccc21 ZINC001138354196 1377707374 /nfs/dbraw/zinc/70/73/74/1377707374.db2.gz AMTIXCFBYFHJBS-UHFFFAOYSA-N 1 0 336.435 3.356 20 10 EGCDRO CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138358669 1377709213 /nfs/dbraw/zinc/70/92/13/1377709213.db2.gz XDXLDUDDZKDZPU-NRFANRHFSA-N 1 0 341.499 3.046 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676483 1377766857 /nfs/dbraw/zinc/76/68/57/1377766857.db2.gz LEWXIWKPPAYCSY-CYBMUJFWSA-N 1 0 339.277 3.128 20 10 EGCDRO COc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139259218 1377858162 /nfs/dbraw/zinc/85/81/62/1377858162.db2.gz NAVAXIGYCUAHEL-OAHLLOKOSA-N 1 0 340.467 3.409 20 10 EGCDRO COc1cc(CN2CCCC[C@@H]2C(F)(F)F)cc(C[NH+](C)C)c1O ZINC001139257046 1377858769 /nfs/dbraw/zinc/85/87/69/1377858769.db2.gz PQUUNQWZZBBEOV-OAHLLOKOSA-N 1 0 346.393 3.379 20 10 EGCDRO Cc1cc(OC2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)ncn1 ZINC001139673444 1377931296 /nfs/dbraw/zinc/93/12/96/1377931296.db2.gz CDXKOHKTDFLWST-UHFFFAOYSA-N 1 0 340.471 3.203 20 10 EGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC001139673384 1377931727 /nfs/dbraw/zinc/93/17/27/1377931727.db2.gz AWRNNOZZTHAYQQ-WMZOPIPTSA-N 1 0 332.488 3.472 20 10 EGCDRO [O-]c1c(F)ccc(F)c1CN1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001139689216 1377935462 /nfs/dbraw/zinc/93/54/62/1377935462.db2.gz GADCCUGJJRCLBQ-JKSUJKDBSA-N 1 0 328.378 3.069 20 10 EGCDRO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1O ZINC001140055078 1377996851 /nfs/dbraw/zinc/99/68/51/1377996851.db2.gz HKOGVQKFWHQPQO-SWLSCSKDSA-N 1 0 338.423 3.409 20 10 EGCDRO Oc1cccc(Br)c1C[NH+]1CCC(n2cccn2)CC1 ZINC001140103610 1378008327 /nfs/dbraw/zinc/00/83/27/1378008327.db2.gz RAGDPMUPBYRWQS-UHFFFAOYSA-N 1 0 336.233 3.188 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001140178265 1378026603 /nfs/dbraw/zinc/02/66/03/1378026603.db2.gz GDCQBDRQWFWRKZ-UHFFFAOYSA-N 1 0 346.471 3.452 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c1O ZINC001140180867 1378027244 /nfs/dbraw/zinc/02/72/44/1378027244.db2.gz NPNJPCHFFJZLKA-AEFFLSMTSA-N 1 0 330.472 3.088 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2C(=O)NC(=O)OC(C)(C)C)c1O ZINC001140183837 1378027859 /nfs/dbraw/zinc/02/78/59/1378027859.db2.gz JJIASUZIGITMQA-HNNXBMFYSA-N 1 0 348.443 3.025 20 10 EGCDRO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184764 1378028213 /nfs/dbraw/zinc/02/82/13/1378028213.db2.gz HIBQIFFUHLPEAB-MRXNPFEDSA-N 1 0 342.439 3.456 20 10 EGCDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(O)cccc3Cl)O2)n1 ZINC001140339894 1378048904 /nfs/dbraw/zinc/04/89/04/1378048904.db2.gz OOISULKJTRUSLR-BMFZPTHFSA-N 1 0 349.818 3.232 20 10 EGCDRO Oc1cccc(Cl)c1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140339077 1378049281 /nfs/dbraw/zinc/04/92/81/1378049281.db2.gz FAJKKESMYLILHC-GJZGRUSLSA-N 1 0 343.858 3.004 20 10 EGCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CC[C@@H]21 ZINC001140340098 1378049299 /nfs/dbraw/zinc/04/92/99/1378049299.db2.gz RCONJJNBPXTYBD-CJNGLKHVSA-N 1 0 336.863 3.124 20 10 EGCDRO O=C1OC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)c2cnccc21 ZINC001140341754 1378050273 /nfs/dbraw/zinc/05/02/73/1378050273.db2.gz GLDRFDFJNQFELS-UHFFFAOYSA-N 1 0 344.798 3.102 20 10 EGCDRO CN1c2ccccc2[C@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001140344191 1378050534 /nfs/dbraw/zinc/05/05/34/1378050534.db2.gz FUKYWMHSNHYLPU-LJQANCHMSA-N 1 0 342.826 3.166 20 10 EGCDRO CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140461734 1378066033 /nfs/dbraw/zinc/06/60/33/1378066033.db2.gz SEYLMVJQFFYMEK-UHFFFAOYSA-N 1 0 326.824 3.098 20 10 EGCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(Cl)cc1O)C2 ZINC001140465313 1378068087 /nfs/dbraw/zinc/06/80/87/1378068087.db2.gz NVLXBWQQOBLJTL-UHFFFAOYSA-N 1 0 348.878 3.098 20 10 EGCDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2O)CC1)C1CCCC1 ZINC001140467568 1378068937 /nfs/dbraw/zinc/06/89/37/1378068937.db2.gz XSVFPXHDTJSLAX-UHFFFAOYSA-N 1 0 336.863 3.316 20 10 EGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001140466554 1378069054 /nfs/dbraw/zinc/06/90/54/1378069054.db2.gz GLRLBQBDIPKSPO-ZWKOTPCHSA-N 1 0 343.858 3.289 20 10 EGCDRO C[N@H+](Cc1ccc(Cl)cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140466472 1378069152 /nfs/dbraw/zinc/06/91/52/1378069152.db2.gz GTQPCFHUECRQAI-AWEZNQCLSA-N 1 0 340.851 3.487 20 10 EGCDRO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467647 1378069210 /nfs/dbraw/zinc/06/92/10/1378069210.db2.gz UAZDQJFIWPPFEE-IBGZPJMESA-N 1 0 348.874 3.270 20 10 EGCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140620450 1378099637 /nfs/dbraw/zinc/09/96/37/1378099637.db2.gz OQPDJWREEFONSC-GOSISDBHSA-N 1 0 333.472 3.356 20 10 EGCDRO Cc1ccc(O)c(C[N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC001140623129 1378100404 /nfs/dbraw/zinc/10/04/04/1378100404.db2.gz GWNOGQKTSGQGRH-FQEVSTJZSA-N 1 0 340.467 3.033 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001140661953 1378108619 /nfs/dbraw/zinc/10/86/19/1378108619.db2.gz ZMIARWIRYOHKLN-FQEVSTJZSA-N 1 0 341.430 3.394 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001140666847 1378110262 /nfs/dbraw/zinc/11/02/62/1378110262.db2.gz AYCRWPISRCZDQX-UHFFFAOYSA-N 1 0 348.462 3.196 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)[C@H]1c1ccccc1 ZINC001140744278 1378128420 /nfs/dbraw/zinc/12/84/20/1378128420.db2.gz RSSXCBLAXSXEOC-AEFFLSMTSA-N 1 0 341.407 3.142 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1O ZINC001140749251 1378128940 /nfs/dbraw/zinc/12/89/40/1378128940.db2.gz TUHBMNKDKZXWTH-UHFFFAOYSA-N 1 0 344.430 3.253 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CCC(=O)OC)C2)c(O)c1 ZINC001140855605 1378158148 /nfs/dbraw/zinc/15/81/48/1378158148.db2.gz FHOHIYPMLSLCJA-HNNXBMFYSA-N 1 0 334.460 3.014 20 10 EGCDRO CCO[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2O)[C@@H]2CCCO[C@H]12 ZINC001140853167 1378158305 /nfs/dbraw/zinc/15/83/05/1378158305.db2.gz ODNLLMCOQWAYIL-RLLQIKCJSA-N 1 0 348.487 3.007 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3noc(C)n3)CC2)c(O)c1 ZINC001140855205 1378158350 /nfs/dbraw/zinc/15/83/50/1378158350.db2.gz RJPAEBBVEUHDNF-UHFFFAOYSA-N 1 0 344.459 3.309 20 10 EGCDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140857758 1378159272 /nfs/dbraw/zinc/15/92/72/1378159272.db2.gz ZDGXKTVUKFSTHA-KSSFIOAISA-N 1 0 336.476 3.258 20 10 EGCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140924122 1378181831 /nfs/dbraw/zinc/18/18/31/1378181831.db2.gz DWDJEYREVJURBK-BJJXKVORSA-N 1 0 336.863 3.180 20 10 EGCDRO CCN1CC[C@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3Cl)C2)C1=O ZINC001140923920 1378182202 /nfs/dbraw/zinc/18/22/02/1378182202.db2.gz LEISHLUPHUTOLS-IBGZPJMESA-N 1 0 349.906 3.240 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c(Cl)c1 ZINC001140925830 1378183760 /nfs/dbraw/zinc/18/37/60/1378183760.db2.gz WJMYXLPOWBGHFE-KRWDZBQOSA-N 1 0 331.847 3.454 20 10 EGCDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccc(C)cc1O)C2 ZINC001140957653 1378193857 /nfs/dbraw/zinc/19/38/57/1378193857.db2.gz HFVKEMIZBJNCNM-MRXNPFEDSA-N 1 0 327.424 3.490 20 10 EGCDRO NC(=O)C1=CC2(CC1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001277210002 1378210685 /nfs/dbraw/zinc/21/06/85/1378210685.db2.gz MFGVNWYHXUHOOG-UHFFFAOYSA-N 1 0 339.483 3.075 20 10 EGCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078069 1378234107 /nfs/dbraw/zinc/23/41/07/1378234107.db2.gz JNXXBBWWSOHQKE-FQEVSTJZSA-N 1 0 327.516 3.300 20 10 EGCDRO c1cn(C2CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)cn1 ZINC001141077995 1378234178 /nfs/dbraw/zinc/23/41/78/1378234178.db2.gz IBZISCITHHBLJI-UHFFFAOYSA-N 1 0 336.483 3.419 20 10 EGCDRO c1ccc(O[C@H]2CC[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)nc1 ZINC001141078447 1378234180 /nfs/dbraw/zinc/23/41/80/1378234180.db2.gz WJCJOEJYMOQUMZ-FQEVSTJZSA-N 1 0 349.478 3.434 20 10 EGCDRO Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141158897 1378253354 /nfs/dbraw/zinc/25/33/54/1378253354.db2.gz QROOEWPESBFPMU-UHFFFAOYSA-N 1 0 339.439 3.033 20 10 EGCDRO Oc1ccc(O)c(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001141162357 1378254533 /nfs/dbraw/zinc/25/45/33/1378254533.db2.gz QVEBONAUOJVEEG-NRFANRHFSA-N 1 0 338.451 3.338 20 10 EGCDRO COc1ccccc1OC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159259 1378254915 /nfs/dbraw/zinc/25/49/15/1378254915.db2.gz BBIBINVOXTWIJQ-UHFFFAOYSA-N 1 0 329.396 3.150 20 10 EGCDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)Cc2cc(O)ccc2O)CC1 ZINC001141163110 1378256185 /nfs/dbraw/zinc/25/61/85/1378256185.db2.gz PKDVJASZWDABDD-UHFFFAOYSA-N 1 0 344.430 3.333 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001142524993 1378453206 /nfs/dbraw/zinc/45/32/06/1378453206.db2.gz SJJSFYREOMUXHY-BEFAXECRSA-N 1 0 344.405 3.377 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3cccc4[nH]cnc43)CC2)cc1 ZINC001142696678 1378478944 /nfs/dbraw/zinc/47/89/44/1378478944.db2.gz QMBJUWFSDCCQDN-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001143317469 1378578667 /nfs/dbraw/zinc/57/86/67/1378578667.db2.gz QWACXIOKAYSVEI-SFHVURJKSA-N 1 0 330.472 3.090 20 10 EGCDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)cc1OC ZINC001144509040 1378738957 /nfs/dbraw/zinc/73/89/57/1378738957.db2.gz IOUBOPAASHZPLX-HNNXBMFYSA-N 1 0 345.395 3.158 20 10 EGCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c(O)c1 ZINC001144515733 1378739637 /nfs/dbraw/zinc/73/96/37/1378739637.db2.gz WRMOLOYPNUPZHH-AWEZNQCLSA-N 1 0 331.387 3.397 20 10 EGCDRO COc1ccccc1C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514796 1378739841 /nfs/dbraw/zinc/73/98/41/1378739841.db2.gz SINSWPZOHHMROT-UHFFFAOYSA-N 1 0 329.396 3.192 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)cc(C)c2)cc1C ZINC001148984129 1379307413 /nfs/dbraw/zinc/30/74/13/1379307413.db2.gz ZEWSHXRFJDRVFZ-UHFFFAOYSA-N 1 0 326.440 3.140 20 10 EGCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CCC2=CCCCC2)cc1 ZINC001153048166 1380013849 /nfs/dbraw/zinc/01/38/49/1380013849.db2.gz UVIHYKJNBVBOBC-UHFFFAOYSA-N 1 0 343.431 3.059 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ncc(Cl)cc3F)cc2)CC1 ZINC001156656407 1380605268 /nfs/dbraw/zinc/60/52/68/1380605268.db2.gz SIDTYFPNSWKKGE-UHFFFAOYSA-N 1 0 334.826 3.238 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CC1CC[NH2+]CC1 ZINC001157435669 1380892257 /nfs/dbraw/zinc/89/22/57/1380892257.db2.gz UWWRFYSTQXCSLQ-IBGZPJMESA-N 1 0 330.472 3.138 20 10 EGCDRO CC[C@@H](CC(F)F)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159664645 1381862451 /nfs/dbraw/zinc/86/24/51/1381862451.db2.gz HEXCLJUSKHSZJT-HNNXBMFYSA-N 1 0 342.430 3.281 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC001328707662 1388818434 /nfs/dbraw/zinc/81/84/34/1388818434.db2.gz HHMBYAKIJVRYGM-DEOSSOPVSA-N 1 0 346.496 3.001 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H](C)C2)cc1C ZINC001165399845 1383286690 /nfs/dbraw/zinc/28/66/90/1383286690.db2.gz IRIXECMIGPSYMZ-MAUKXSAKSA-N 1 0 332.488 3.426 20 10 EGCDRO CC(C)[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccnn1C ZINC001328769262 1388854485 /nfs/dbraw/zinc/85/44/85/1388854485.db2.gz DNBAFQZTZNCHGZ-CQSZACIVSA-N 1 0 336.430 3.294 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)c2ccsc2)cc1C ZINC001166491510 1383428779 /nfs/dbraw/zinc/42/87/79/1383428779.db2.gz CAIAIJIONMRJQP-OAHLLOKOSA-N 1 0 346.496 3.465 20 10 EGCDRO Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431238 1383631944 /nfs/dbraw/zinc/63/19/44/1383631944.db2.gz NVNYEHWDVXNVIR-UHFFFAOYSA-N 1 0 340.427 3.267 20 10 EGCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1cccc1C[NH3+])N=[N+]=[N-] ZINC001167585616 1383680791 /nfs/dbraw/zinc/68/07/91/1383680791.db2.gz DDFWBQZUTOFFKX-DHDCSXOGSA-N 1 0 340.387 3.162 20 10 EGCDRO Fc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001168399886 1383896719 /nfs/dbraw/zinc/89/67/19/1383896719.db2.gz FBMONAJCSRUEHG-FQEVSTJZSA-N 1 0 340.442 3.309 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(F)F)cc1C ZINC001168747281 1383991023 /nfs/dbraw/zinc/99/10/23/1383991023.db2.gz FAQYDYIBAUWELE-CQSZACIVSA-N 1 0 342.430 3.423 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001169712187 1384176790 /nfs/dbraw/zinc/17/67/90/1384176790.db2.gz YAWKTDSEFHXEBZ-SFHVURJKSA-N 1 0 333.476 3.195 20 10 EGCDRO COc1ccc(N2CC[NH+]([C@H]3Cc4cccc(F)c4C3)CC2)c(C)c1 ZINC001171809922 1384645110 /nfs/dbraw/zinc/64/51/10/1384645110.db2.gz NDDVTNLNROCWCZ-KRWDZBQOSA-N 1 0 340.442 3.432 20 10 EGCDRO CC(C)C[C@H](C)C[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237510 1385879475 /nfs/dbraw/zinc/87/94/75/1385879475.db2.gz BZYAQTGGJPUORF-AWEZNQCLSA-N 1 0 347.463 3.241 20 10 EGCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CCC2CCCC2)cc1 ZINC001177238247 1385880377 /nfs/dbraw/zinc/88/03/77/1385880377.db2.gz VESHQEPTSLDKIJ-UHFFFAOYSA-N 1 0 345.447 3.139 20 10 EGCDRO CC1(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)OCCO1 ZINC001319712722 1386264268 /nfs/dbraw/zinc/26/42/68/1386264268.db2.gz SYGIVZQHXIACBL-UHFFFAOYSA-N 1 0 330.472 3.262 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCS(=O)(=O)C(C)(C)C ZINC001320252344 1386563484 /nfs/dbraw/zinc/56/34/84/1386563484.db2.gz DLOCUOONYAMUGE-OLZOCXBDSA-N 1 0 325.474 3.052 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001321753151 1386975764 /nfs/dbraw/zinc/97/57/64/1386975764.db2.gz VODBBYQUHORUPZ-RBUKOAKNSA-N 1 0 343.515 3.223 20 10 EGCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001181996009 1387090205 /nfs/dbraw/zinc/09/02/05/1387090205.db2.gz IFOFPSZAHSLCKP-OAHLLOKOSA-N 1 0 347.846 3.084 20 10 EGCDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001337042455 1389243238 /nfs/dbraw/zinc/24/32/38/1389243238.db2.gz NLBHXNFUCNBJDX-CVEARBPZSA-N 1 0 338.492 3.378 20 10 EGCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337282850 1389293274 /nfs/dbraw/zinc/29/32/74/1389293274.db2.gz VMQIWNUKDWDVCY-INIZCTEOSA-N 1 0 342.462 3.132 20 10 EGCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337872280 1389465466 /nfs/dbraw/zinc/46/54/66/1389465466.db2.gz VVZLCPKPBIMQBZ-CQSZACIVSA-N 1 0 347.400 3.398 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1O ZINC001338274042 1389613466 /nfs/dbraw/zinc/61/34/66/1389613466.db2.gz LDRPRJAQBHPIQC-RBUKOAKNSA-N 1 0 341.451 3.307 20 10 EGCDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(N)cc1 ZINC001338793674 1389767283 /nfs/dbraw/zinc/76/72/83/1389767283.db2.gz RIGLPOZCHFIVDU-UHFFFAOYSA-N 1 0 340.471 3.062 20 10 EGCDRO CN(C(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1)c1ccccc1 ZINC001334367690 1390525210 /nfs/dbraw/zinc/52/52/10/1390525210.db2.gz ONLGICFAMJUYMI-ZDUSSCGKSA-N 1 0 346.377 3.155 20 10 EGCDRO Nc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC001335287853 1390666709 /nfs/dbraw/zinc/66/67/09/1390666709.db2.gz CJVJPBGJPMKPFE-OAHLLOKOSA-N 1 0 328.378 3.450 20 10 EGCDRO CC(C)CNC(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC001347666591 1391108805 /nfs/dbraw/zinc/10/88/05/1391108805.db2.gz OMLPMROHRTVAJN-IBGZPJMESA-N 1 0 340.467 3.428 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)cc2)CC1 ZINC001347825586 1391130793 /nfs/dbraw/zinc/13/07/93/1391130793.db2.gz BVYWVCLYSJTIJN-WIYYLYMNSA-N 1 0 344.499 3.303 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2CC(F)(F)C2)cc1C ZINC001717339799 1421277935 /nfs/dbraw/zinc/27/79/35/1421277935.db2.gz BXITUZBOICHWSS-ZDUSSCGKSA-N 1 0 340.414 3.033 20 10 EGCDRO CC[C@H](CNC(=O)c1cccn1CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753495869 1440421461 /nfs/dbraw/zinc/42/14/61/1440421461.db2.gz ZZOFFDJSBZDPKP-QGZVFWFLSA-N 1 0 343.471 3.123 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CC(C)C)cc1C ZINC001753878469 1440520077 /nfs/dbraw/zinc/52/00/77/1440520077.db2.gz RXKDKWMILSINAL-MSOLQXFVSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2CCCCC2)cc1C ZINC001754091163 1440540583 /nfs/dbraw/zinc/54/05/83/1440540583.db2.gz UZRPYFYQUDZLJP-VOTSOKGWSA-N 1 0 330.472 3.346 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cccc(F)c2F)cc1C ZINC001754238850 1440555432 /nfs/dbraw/zinc/55/54/32/1440555432.db2.gz HQUBWJOJIVGSOD-CYBMUJFWSA-N 1 0 348.393 3.190 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2ccco2)cc1C ZINC001754287216 1440564466 /nfs/dbraw/zinc/56/44/66/1440564466.db2.gz RXNHIFKCPVXYHY-HOTGVXAUSA-N 1 0 344.455 3.070 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)/C=C/c3ccco3)CC2)cc1C ZINC001754506873 1440616622 /nfs/dbraw/zinc/61/66/22/1440616622.db2.gz WSDRHWRDMGODTA-SOFGYWHQSA-N 1 0 340.423 3.048 20 10 EGCDRO CC/C(C)=C\C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001754610616 1440643678 /nfs/dbraw/zinc/64/36/78/1440643678.db2.gz PFYSFZKQRZNWAR-RXBGNRNISA-N 1 0 330.472 3.441 20 10 EGCDRO CCn1cccc1C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001755272116 1440798032 /nfs/dbraw/zinc/79/80/32/1440798032.db2.gz YVMBZBQQXFIFIH-HZPDHXFCSA-N 1 0 343.471 3.122 20 10 EGCDRO CCCCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001755392125 1440842383 /nfs/dbraw/zinc/84/23/83/1440842383.db2.gz QZFASNBIFOXWRZ-CYBMUJFWSA-N 1 0 345.447 3.089 20 10 EGCDRO CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001755667582 1440893655 /nfs/dbraw/zinc/89/36/55/1440893655.db2.gz WWEAVNKUUHWXLO-CZUORRHYSA-N 1 0 345.447 3.232 20 10 EGCDRO C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593220633 994315523 /nfs/dbraw/zinc/31/55/23/994315523.db2.gz USSBMWIISYNBLW-ZDUSSCGKSA-N 1 0 332.444 3.148 20 10 EGCDRO C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593263693 994559868 /nfs/dbraw/zinc/55/98/68/994559868.db2.gz BFQITQSZALZTQZ-OAHLLOKOSA-N 1 0 334.460 3.397 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000124328716 454719492 /nfs/dbraw/zinc/71/94/92/454719492.db2.gz UFXQKXZYVZEQIS-KBPBESRZSA-N 1 0 329.410 3.287 20 10 EGCDRO CCC[N@H+](CC(=O)N(C)Cc1cccs1)Cc1ccccc1O ZINC000076073983 453959008 /nfs/dbraw/zinc/95/90/08/453959008.db2.gz LYPZWDWDCFKMFO-UHFFFAOYSA-N 1 0 332.469 3.324 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](c2ccccc2)O1 ZINC000067873805 453975111 /nfs/dbraw/zinc/97/51/11/453975111.db2.gz OVNMLAHFHVECFW-ORAYPTAESA-N 1 0 327.380 3.083 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]CCCc1nccs1 ZINC000076892624 454046139 /nfs/dbraw/zinc/04/61/39/454046139.db2.gz AHOAVZVHNXCMRL-UHFFFAOYSA-N 1 0 327.247 3.334 20 10 EGCDRO CC1CC[NH+](CCCCNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000043862437 454081396 /nfs/dbraw/zinc/08/13/96/454081396.db2.gz CKXLGCUTAFDDQB-UHFFFAOYSA-N 1 0 346.519 3.064 20 10 EGCDRO OCC[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000077468277 454109080 /nfs/dbraw/zinc/10/90/80/454109080.db2.gz LLLZRULEYPEGDR-OAHLLOKOSA-N 1 0 336.229 3.368 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCc3csc(C)n3)CC2)cc1 ZINC000119357167 454188930 /nfs/dbraw/zinc/18/89/30/454188930.db2.gz KMGKKIUFSZLGMY-UHFFFAOYSA-N 1 0 331.485 3.215 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000184681455 455427305 /nfs/dbraw/zinc/42/73/05/455427305.db2.gz HRYJVXGSHZENFM-LLVKDONJSA-N 1 0 337.807 3.125 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)cc1C ZINC000078302993 454227729 /nfs/dbraw/zinc/22/77/29/454227729.db2.gz GJIOVYHTCCEGTG-SFHVURJKSA-N 1 0 344.455 3.068 20 10 EGCDRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1O ZINC000160183261 455435641 /nfs/dbraw/zinc/43/56/41/455435641.db2.gz PHALWXDIMWXUKB-QGZVFWFLSA-N 1 0 343.423 3.288 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC000184733535 455438560 /nfs/dbraw/zinc/43/85/60/455438560.db2.gz BLBUTWMLIWJJNQ-CYBMUJFWSA-N 1 0 349.862 3.242 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000121200741 454404532 /nfs/dbraw/zinc/40/45/32/454404532.db2.gz ZGTFKTZIPIBWQR-UHFFFAOYSA-N 1 0 333.476 3.242 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3nccs3)cc2F)CC1 ZINC000093406130 454712241 /nfs/dbraw/zinc/71/22/41/454712241.db2.gz PMZFFNPIKGQUKI-CQSZACIVSA-N 1 0 348.491 3.275 20 10 EGCDRO COc1cccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1O ZINC000093638296 454724864 /nfs/dbraw/zinc/72/48/64/454724864.db2.gz DNEUKVLNJUBKNT-FQEVSTJZSA-N 1 0 325.408 3.075 20 10 EGCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)o1 ZINC000137082102 454768219 /nfs/dbraw/zinc/76/82/19/454768219.db2.gz GBIQSHBFEZDHBK-HNNXBMFYSA-N 1 0 347.411 3.486 20 10 EGCDRO C[C@@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109769539 454836100 /nfs/dbraw/zinc/83/61/00/454836100.db2.gz QKZYWSIVJULJKG-HOTGVXAUSA-N 1 0 326.440 3.132 20 10 EGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000126395350 454891024 /nfs/dbraw/zinc/89/10/24/454891024.db2.gz OTMOXGRJLNWRAM-DOTOQJQBSA-N 1 0 347.478 3.478 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000184997841 455483583 /nfs/dbraw/zinc/48/35/83/455483583.db2.gz KHZAXWKJTMZWQD-NEPJUHHUSA-N 1 0 339.277 3.290 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000113314893 454922231 /nfs/dbraw/zinc/92/22/31/454922231.db2.gz GCDHHWGYXMKZPL-UHFFFAOYSA-N 1 0 346.858 3.168 20 10 EGCDRO O=C1CCCN1Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113325705 454922541 /nfs/dbraw/zinc/92/25/41/454922541.db2.gz CSJLTTCCMCUTNN-UHFFFAOYSA-N 1 0 344.842 3.458 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC000185053931 455493277 /nfs/dbraw/zinc/49/32/77/455493277.db2.gz WEWTVZNEHPJZOT-MRXNPFEDSA-N 1 0 325.456 3.411 20 10 EGCDRO C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000178710672 454967958 /nfs/dbraw/zinc/96/79/58/454967958.db2.gz AITKHVXJWIWNQB-UZLBHIALSA-N 1 0 337.467 3.239 20 10 EGCDRO Oc1ccccc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000179565950 455058677 /nfs/dbraw/zinc/05/86/77/455058677.db2.gz QICZLAOFHRWLRG-UHFFFAOYSA-N 1 0 336.395 3.217 20 10 EGCDRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179576877 455060145 /nfs/dbraw/zinc/06/01/45/455060145.db2.gz IYTCDMZUMXHZRC-QGZVFWFLSA-N 1 0 340.423 3.312 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000179902070 455096169 /nfs/dbraw/zinc/09/61/69/455096169.db2.gz SCIBDKXRGORYKP-CZUORRHYSA-N 1 0 328.387 3.378 20 10 EGCDRO COC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ccco1 ZINC000156628001 455140027 /nfs/dbraw/zinc/14/00/27/455140027.db2.gz YQRMIFRQNHOGBA-SFHVURJKSA-N 1 0 330.428 3.234 20 10 EGCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)o1 ZINC000265201794 455302236 /nfs/dbraw/zinc/30/22/36/455302236.db2.gz PXGRQJUDTLKNLA-UHFFFAOYSA-N 1 0 328.412 3.346 20 10 EGCDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2)ncn1 ZINC000183601957 455309826 /nfs/dbraw/zinc/30/98/26/455309826.db2.gz VIKAUABZFBNOSA-GOEBONIOSA-N 1 0 326.444 3.064 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1O ZINC000185072395 455496287 /nfs/dbraw/zinc/49/62/87/455496287.db2.gz KBHMWSMMPRHZBJ-CYBMUJFWSA-N 1 0 348.393 3.358 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000185215064 455522520 /nfs/dbraw/zinc/52/25/20/455522520.db2.gz BSYJLOPROCKRBR-CQSZACIVSA-N 1 0 334.460 3.089 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)NC(C)(C)C ZINC000185217768 455523165 /nfs/dbraw/zinc/52/31/65/455523165.db2.gz KVEDKCITGPOJQX-VHSXEESVSA-N 1 0 343.265 3.109 20 10 EGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185487290 455564487 /nfs/dbraw/zinc/56/44/87/455564487.db2.gz BYSKGUBZNUBUEB-YJYMSZOUSA-N 1 0 331.412 3.102 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c1 ZINC000185498488 455568734 /nfs/dbraw/zinc/56/87/34/455568734.db2.gz UMODQFUYNCSVBH-NSHDSACASA-N 1 0 340.349 3.272 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1C ZINC000271349484 455606907 /nfs/dbraw/zinc/60/69/07/455606907.db2.gz PKUSRDLRBGVTCQ-HNNXBMFYSA-N 1 0 326.444 3.384 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192849394 455705353 /nfs/dbraw/zinc/70/53/53/455705353.db2.gz NZGGZFAJHHEQGC-RYUDHWBXSA-N 1 0 329.400 3.303 20 10 EGCDRO CC(C)[N@H+](C)CCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268737919 455711368 /nfs/dbraw/zinc/71/13/68/455711368.db2.gz CEQJANVCEKJBNF-INIZCTEOSA-N 1 0 337.483 3.043 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000268750505 455712399 /nfs/dbraw/zinc/71/23/99/455712399.db2.gz VDPIYDJVGAEZKE-QGZVFWFLSA-N 1 0 339.483 3.440 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000268750503 455713209 /nfs/dbraw/zinc/71/32/09/455713209.db2.gz VDPIYDJVGAEZKE-KRWDZBQOSA-N 1 0 339.483 3.440 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000268795874 455714594 /nfs/dbraw/zinc/71/45/94/455714594.db2.gz DJWVGPPDABFIDL-HNNXBMFYSA-N 1 0 337.467 3.496 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000268904102 455724932 /nfs/dbraw/zinc/72/49/32/455724932.db2.gz PGLHCCZYLZKNJH-JXFKEZNVSA-N 1 0 342.487 3.185 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000271723391 455735219 /nfs/dbraw/zinc/73/52/19/455735219.db2.gz OETIBFOMKHEOQO-QLFBSQMISA-N 1 0 340.414 3.414 20 10 EGCDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268951678 455742002 /nfs/dbraw/zinc/74/20/02/455742002.db2.gz VHWFBQASBRDPIT-LIRRHRJNSA-N 1 0 338.467 3.110 20 10 EGCDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000271775324 455754570 /nfs/dbraw/zinc/75/45/70/455754570.db2.gz CMFKAJPLJFZYJI-YJYMSZOUSA-N 1 0 331.412 3.275 20 10 EGCDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278147610 455770099 /nfs/dbraw/zinc/77/00/99/455770099.db2.gz BWGPPCFDQJXLJT-UHFFFAOYSA-N 1 0 346.383 3.340 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000271859299 455789166 /nfs/dbraw/zinc/78/91/66/455789166.db2.gz YGUSJJCAZQVARE-FQEVSTJZSA-N 1 0 327.424 3.346 20 10 EGCDRO Oc1ccccc1C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000293564535 455791291 /nfs/dbraw/zinc/79/12/91/455791291.db2.gz MLOTUDZAOQPHIU-UHFFFAOYSA-N 1 0 332.831 3.172 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293607846 455792996 /nfs/dbraw/zinc/79/29/96/455792996.db2.gz DWLXSNSOWQKQSH-HNNXBMFYSA-N 1 0 334.460 3.096 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000293723934 455795402 /nfs/dbraw/zinc/79/54/02/455795402.db2.gz NUJCSXXJFGYKBH-UAGQMJEPSA-N 1 0 336.451 3.007 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000252442978 455804478 /nfs/dbraw/zinc/80/44/78/455804478.db2.gz KPSRRIBWILTMJS-QUCCMNQESA-N 1 0 327.424 3.107 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000269207684 455812279 /nfs/dbraw/zinc/81/22/79/455812279.db2.gz MPGRZAYPRUYYBS-KUHUBIRLSA-N 1 0 325.456 3.212 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000269242473 455819362 /nfs/dbraw/zinc/81/93/62/455819362.db2.gz CSVJMSQXFBOVKR-KBXCAEBGSA-N 1 0 325.456 3.212 20 10 EGCDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000285372584 455832244 /nfs/dbraw/zinc/83/22/44/455832244.db2.gz BZSFGTGFPMVJMI-UYAOXDASSA-N 1 0 343.515 3.460 20 10 EGCDRO CCCN(Cc1c(C)nc2sc(C)nn12)c1ccc(C[NH3+])cc1 ZINC000278408584 455835336 /nfs/dbraw/zinc/83/53/36/455835336.db2.gz PQKFETWPFAJQPJ-UHFFFAOYSA-N 1 0 329.473 3.283 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(O)c1 ZINC000278429362 455835461 /nfs/dbraw/zinc/83/54/61/455835461.db2.gz SYSFFEBXVFNKAC-CZUORRHYSA-N 1 0 347.377 3.316 20 10 EGCDRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295787580 455859449 /nfs/dbraw/zinc/85/94/49/455859449.db2.gz ACCRWQBJMFBFHI-IEBWSBKVSA-N 1 0 327.424 3.490 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c(C(F)(F)F)c1 ZINC000279834402 455874952 /nfs/dbraw/zinc/87/49/52/455874952.db2.gz HCIDSHJDAZWJEH-LRDDRELGSA-N 1 0 330.394 3.412 20 10 EGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(C)cc1O ZINC000279945215 455877846 /nfs/dbraw/zinc/87/78/46/455877846.db2.gz BKEKFAXITDQPCX-GOSISDBHSA-N 1 0 347.480 3.356 20 10 EGCDRO CC[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(C)cc1O ZINC000280097674 455890830 /nfs/dbraw/zinc/89/08/30/455890830.db2.gz MWUGHQDAHYCORA-SFHVURJKSA-N 1 0 332.488 3.386 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(C)cc1O ZINC000280121841 455896941 /nfs/dbraw/zinc/89/69/41/455896941.db2.gz OIDNQFOIECHKNH-SFHVURJKSA-N 1 0 341.455 3.173 20 10 EGCDRO C[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296335463 455911890 /nfs/dbraw/zinc/91/18/90/455911890.db2.gz HNVLAWPPBVGCLD-HOTGVXAUSA-N 1 0 331.504 3.427 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@]2(CCOC2)O1 ZINC000280325436 455947498 /nfs/dbraw/zinc/94/74/98/455947498.db2.gz QSDNKZOIUNKZAI-HRAATJIYSA-N 1 0 339.435 3.439 20 10 EGCDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187838959 455960140 /nfs/dbraw/zinc/96/01/40/455960140.db2.gz SKUQPHLTXFXWMD-MYYSRTQBSA-N 1 0 347.480 3.170 20 10 EGCDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000296576768 455979076 /nfs/dbraw/zinc/97/90/76/455979076.db2.gz VPXJDVPSWFBMJV-ZWKOTPCHSA-N 1 0 336.435 3.079 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(Br)cc1O ZINC000188028460 455982042 /nfs/dbraw/zinc/98/20/42/455982042.db2.gz NMPRJMYYPSWRSQ-GYSYKLTISA-N 1 0 328.250 3.356 20 10 EGCDRO Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000286295285 456018421 /nfs/dbraw/zinc/01/84/21/456018421.db2.gz WLFLMRGGUZXNHM-QGZVFWFLSA-N 1 0 339.483 3.450 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccc(F)cc1 ZINC000262618093 456046442 /nfs/dbraw/zinc/04/64/42/456046442.db2.gz HATMFZQQRHEFJO-SJORKVTESA-N 1 0 341.430 3.200 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000272752348 456061086 /nfs/dbraw/zinc/06/10/86/456061086.db2.gz KAQHTQUGQUEZND-UHFFFAOYSA-N 1 0 325.408 3.398 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1O ZINC000289186297 456117860 /nfs/dbraw/zinc/11/78/60/456117860.db2.gz AOYPJTNGXFZGMZ-NWDGAFQWSA-N 1 0 328.250 3.225 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1O ZINC000289452504 456125602 /nfs/dbraw/zinc/12/56/02/456125602.db2.gz NIACEHZGATXHSW-ZDUSSCGKSA-N 1 0 330.384 3.420 20 10 EGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccccc2F)c1O ZINC000289771112 456140854 /nfs/dbraw/zinc/14/08/54/456140854.db2.gz KNVLZASIFULQSG-UHFFFAOYSA-N 1 0 332.419 3.104 20 10 EGCDRO COc1cccc(C[N@H+]2CCC[C@H](Oc3ccccc3OC)C2)c1O ZINC000289929608 456185429 /nfs/dbraw/zinc/18/54/29/456185429.db2.gz XVZCQBQICYCBFG-INIZCTEOSA-N 1 0 343.423 3.453 20 10 EGCDRO CCOc1c(OC)cc(C[NH2+]Cc2cccc(OC)c2O)cc1OC ZINC000263707793 456198355 /nfs/dbraw/zinc/19/83/55/456198355.db2.gz SWLXEALXUDJUSO-UHFFFAOYSA-N 1 0 347.411 3.107 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000271276003 456200638 /nfs/dbraw/zinc/20/06/38/456200638.db2.gz KWHXOTBEJSOJGT-AZUAARDMSA-N 1 0 327.424 3.025 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c(O)c1 ZINC000273370836 456225102 /nfs/dbraw/zinc/22/51/02/456225102.db2.gz FZTBSYVZXWVVFZ-CQSZACIVSA-N 1 0 333.453 3.096 20 10 EGCDRO CCN1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000273369810 456226030 /nfs/dbraw/zinc/22/60/30/456226030.db2.gz FTXWEXBKEAZMAI-LLVKDONJSA-N 1 0 327.266 3.290 20 10 EGCDRO C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(F)cc1O ZINC000273536972 456237701 /nfs/dbraw/zinc/23/77/01/456237701.db2.gz XOJXOZVMXSUQTC-CZUORRHYSA-N 1 0 344.434 3.240 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc2c(c1)CC(=O)N2C ZINC000273574612 456239584 /nfs/dbraw/zinc/23/95/84/456239584.db2.gz LKFMQNMKOWRAQG-VXGBXAGGSA-N 1 0 328.387 3.462 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(OC)c3O)CC2)cc1 ZINC000237262457 456256642 /nfs/dbraw/zinc/25/66/42/456256642.db2.gz HDDPDAUIXJUNRD-UHFFFAOYSA-N 1 0 342.439 3.168 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000274399681 456257507 /nfs/dbraw/zinc/25/75/07/456257507.db2.gz PWUZUOQYDVXGHR-AWEZNQCLSA-N 1 0 330.501 3.338 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccc(N(C)C)cc1 ZINC000275958827 456358800 /nfs/dbraw/zinc/35/88/00/456358800.db2.gz VLHKPELKCXLVHU-LJQANCHMSA-N 1 0 341.503 3.494 20 10 EGCDRO CC1CCN(c2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2)CC1 ZINC000290925081 456468838 /nfs/dbraw/zinc/46/88/38/456468838.db2.gz RADTVLALLKMMRW-UHFFFAOYSA-N 1 0 335.455 3.484 20 10 EGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]C3CCN(C=O)CC3)cc2Cl)C1 ZINC000282461773 456522890 /nfs/dbraw/zinc/52/28/90/456522890.db2.gz GADXJCRUEDZKGF-OAHLLOKOSA-N 1 0 349.906 3.287 20 10 EGCDRO CC(=O)Nc1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000298794065 456540428 /nfs/dbraw/zinc/54/04/28/456540428.db2.gz NGIPLBHULZSDEF-UHFFFAOYSA-N 1 0 344.484 3.332 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000282552252 456549512 /nfs/dbraw/zinc/54/95/12/456549512.db2.gz XHGNZZYOAIJWIW-SFHVURJKSA-N 1 0 330.403 3.360 20 10 EGCDRO COCC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000282661218 456585308 /nfs/dbraw/zinc/58/53/08/456585308.db2.gz INWBEJJSRPONBB-HNNXBMFYSA-N 1 0 336.451 3.130 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000353256369 456590069 /nfs/dbraw/zinc/59/00/69/456590069.db2.gz QXSDKKOCRKRQIW-UHFFFAOYSA-N 1 0 335.407 3.107 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c1O ZINC000291631068 456701286 /nfs/dbraw/zinc/70/12/86/456701286.db2.gz SHQJTVAUEKCKFX-UHFFFAOYSA-N 1 0 327.302 3.415 20 10 EGCDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccccc1O ZINC000299490072 456709677 /nfs/dbraw/zinc/70/96/77/456709677.db2.gz JIXQOEZLHMKGLL-UHFFFAOYSA-N 1 0 341.455 3.233 20 10 EGCDRO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000292010277 456827814 /nfs/dbraw/zinc/82/78/14/456827814.db2.gz YSLQOEKTJPRSJE-CQSZACIVSA-N 1 0 329.444 3.233 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000349456411 456972436 /nfs/dbraw/zinc/97/24/36/456972436.db2.gz BNANPWQQGZOQLG-CVEARBPZSA-N 1 0 342.487 3.159 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Cl)ccc1O ZINC000363865378 457458824 /nfs/dbraw/zinc/45/88/24/457458824.db2.gz NBGPOGGJQYFIPQ-LBPRGKRZSA-N 1 0 328.803 3.477 20 10 EGCDRO c1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000374257016 457549090 /nfs/dbraw/zinc/54/90/90/457549090.db2.gz BWYPPXIPFQGEPW-OAQYLSRUSA-N 1 0 338.451 3.177 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@H]2CCSC2)C1 ZINC000366299320 457805898 /nfs/dbraw/zinc/80/58/98/457805898.db2.gz NHZWVUCVLSZFOC-CABCVRRESA-N 1 0 326.893 3.105 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000371327197 457868200 /nfs/dbraw/zinc/86/82/00/457868200.db2.gz MIEPMADJFGRQJN-NWDGAFQWSA-N 1 0 326.234 3.013 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000371422668 457923864 /nfs/dbraw/zinc/92/38/64/457923864.db2.gz GVGLCYZCOACLPZ-HIFRSBDPSA-N 1 0 340.414 3.414 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1F ZINC000371465562 457946134 /nfs/dbraw/zinc/94/61/34/457946134.db2.gz FQKKWSQZUQKKEK-OAHLLOKOSA-N 1 0 343.450 3.267 20 10 EGCDRO COc1ccc(O)c(CN(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000367670498 457970457 /nfs/dbraw/zinc/97/04/57/457970457.db2.gz NDGNIJONHRMODR-UHFFFAOYSA-N 1 0 330.428 3.090 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000368036115 458006932 /nfs/dbraw/zinc/00/69/32/458006932.db2.gz IDWWKEDDOBLWCQ-VAMGGRTRSA-N 1 0 339.435 3.405 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1O ZINC000369037427 458072941 /nfs/dbraw/zinc/07/29/41/458072941.db2.gz XEWKVMGCJNVBBZ-MAUKXSAKSA-N 1 0 326.440 3.326 20 10 EGCDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@H]1c1cccs1 ZINC000372105433 458196435 /nfs/dbraw/zinc/19/64/35/458196435.db2.gz LTOGDPFAHOUYBF-BEFAXECRSA-N 1 0 343.496 3.072 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1O ZINC000377905763 458569814 /nfs/dbraw/zinc/56/98/14/458569814.db2.gz UCSNNKWPBVWBOO-AWEZNQCLSA-N 1 0 338.879 3.218 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(n3cccn3)CC2)c1O ZINC000377995287 458592699 /nfs/dbraw/zinc/59/26/99/458592699.db2.gz LJPSNSHCECOXJZ-UHFFFAOYSA-N 1 0 333.819 3.282 20 10 EGCDRO CCN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cc(C)cc(C)c1 ZINC000592501400 459615201 /nfs/dbraw/zinc/61/52/01/459615201.db2.gz ACEGPQWGHKLXDK-OAHLLOKOSA-N 1 0 326.444 3.003 20 10 EGCDRO C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000565534468 459785835 /nfs/dbraw/zinc/78/58/35/459785835.db2.gz JQEXTFVDGLPSSV-INIZCTEOSA-N 1 0 337.467 3.181 20 10 EGCDRO Cc1cc(C(=O)CN2CCCO[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000727438216 574667298 /nfs/dbraw/zinc/66/72/98/574667298.db2.gz ZVMFEINXBOIIKM-INIZCTEOSA-N 1 0 326.440 3.388 20 10 EGCDRO COc1ccccc1CN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000728048918 574713784 /nfs/dbraw/zinc/71/37/84/574713784.db2.gz BCZGFLPUITZAKG-UHFFFAOYSA-N 1 0 340.467 3.335 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2C(C)(C)C)cc1 ZINC000729543009 574870338 /nfs/dbraw/zinc/87/03/38/574870338.db2.gz ALGXZNDOUAVKFL-SFHVURJKSA-N 1 0 331.504 3.222 20 10 EGCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)ccc3ccccc31)CC2 ZINC000733792148 575390049 /nfs/dbraw/zinc/39/00/49/575390049.db2.gz WMCXTRQLAXMVCG-KRWDZBQOSA-N 1 0 325.408 3.321 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000736641226 575997325 /nfs/dbraw/zinc/99/73/25/575997325.db2.gz DAJGNNZUCKEKRP-UHFFFAOYSA-N 1 0 341.436 3.252 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(C)(C)C)cc2F)CC1 ZINC000737554829 576243713 /nfs/dbraw/zinc/24/37/13/576243713.db2.gz NDBCPQLNPPANKE-UHFFFAOYSA-N 1 0 349.494 3.410 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000741284526 576672005 /nfs/dbraw/zinc/67/20/05/576672005.db2.gz SZPLWGPSBHGSRP-UHFFFAOYSA-N 1 0 339.483 3.477 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)Nc2ccccn2)cc1 ZINC000742696612 576793542 /nfs/dbraw/zinc/79/35/42/576793542.db2.gz FFVZTQJXAKMPKF-UHFFFAOYSA-N 1 0 326.444 3.046 20 10 EGCDRO CC[NH+]1CCC(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000743644336 576813975 /nfs/dbraw/zinc/81/39/75/576813975.db2.gz JIZBAYIPUSADFV-UHFFFAOYSA-N 1 0 346.475 3.159 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2C3CCCC2CCC3)cc1 ZINC000743851280 576816880 /nfs/dbraw/zinc/81/68/80/576816880.db2.gz CNQCURQMXUJSPJ-UHFFFAOYSA-N 1 0 329.488 3.118 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000820412253 607085375 /nfs/dbraw/zinc/08/53/75/607085375.db2.gz LGFAHEUQVIINNI-KGLIPLIRSA-N 1 0 336.443 3.345 20 10 EGCDRO Cc1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000042096306 1291428852 /nfs/dbraw/zinc/42/88/52/1291428852.db2.gz KOXWRDOETYIVJJ-UHFFFAOYSA-N 1 0 344.499 3.489 20 10 EGCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000827821432 1292382290 /nfs/dbraw/zinc/38/22/90/1292382290.db2.gz ZRZRWWILITZYKB-OAHLLOKOSA-N 1 0 329.488 3.212 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000080050171 1292585167 /nfs/dbraw/zinc/58/51/67/1292585167.db2.gz WQXBBZQOMDOZML-QGZVFWFLSA-N 1 0 346.519 3.016 20 10 EGCDRO COc1cccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1O ZINC000091902368 1292849549 /nfs/dbraw/zinc/84/95/49/1292849549.db2.gz VIWAAIDAJYUBII-SFHVURJKSA-N 1 0 327.424 3.234 20 10 EGCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092733810 1292888320 /nfs/dbraw/zinc/88/83/20/1292888320.db2.gz CTBWPRVKUYRAHM-LJQANCHMSA-N 1 0 343.515 3.415 20 10 EGCDRO COc1cc(Br)cc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1O ZINC000093821803 1292933181 /nfs/dbraw/zinc/93/31/81/1292933181.db2.gz FLGGKOPHIVEZFD-CYBMUJFWSA-N 1 0 346.265 3.002 20 10 EGCDRO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c(C)n1-c1ccccn1 ZINC000104412799 1293022975 /nfs/dbraw/zinc/02/29/75/1293022975.db2.gz CXCHILRSOQNEEB-QGZVFWFLSA-N 1 0 340.471 3.045 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)n1-c1cccc(Cl)c1 ZINC000109992383 1293092740 /nfs/dbraw/zinc/09/27/40/1293092740.db2.gz JUDWCAMIIGPKMK-OAHLLOKOSA-N 1 0 345.874 3.429 20 10 EGCDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000834518489 1293109034 /nfs/dbraw/zinc/10/90/34/1293109034.db2.gz JJERGLFJRJYCNQ-ZWKOTPCHSA-N 1 0 332.513 3.287 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCn4ccnc43)CC2)cc1 ZINC000834558238 1293117220 /nfs/dbraw/zinc/11/72/20/1293117220.db2.gz DNJDKUSRLDSGME-INIZCTEOSA-N 1 0 348.397 3.188 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCc1ccc3c(c1)OCCO3)CC2 ZINC000834680876 1293132794 /nfs/dbraw/zinc/13/27/94/1293132794.db2.gz NFEZGZMCTHSSEO-INIZCTEOSA-N 1 0 325.408 3.373 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000834790469 1293149342 /nfs/dbraw/zinc/14/93/42/1293149342.db2.gz QDNDNEVCRXRDTM-CYBMUJFWSA-N 1 0 337.466 3.024 20 10 EGCDRO O=C(/C=C\c1ccccc1)NCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834793492 1293149661 /nfs/dbraw/zinc/14/96/61/1293149661.db2.gz AGERUBVGXQFSKA-GFBZKKKVSA-N 1 0 336.435 3.189 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c1 ZINC000834895650 1293167757 /nfs/dbraw/zinc/16/77/57/1293167757.db2.gz CMSMEECWRWGYLQ-CVEARBPZSA-N 1 0 326.440 3.099 20 10 EGCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834913716 1293175511 /nfs/dbraw/zinc/17/55/11/1293175511.db2.gz ZTVFJZVNSHXHQV-JQWIXIFHSA-N 1 0 333.819 3.427 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000115648507 1293193816 /nfs/dbraw/zinc/19/38/16/1293193816.db2.gz CHDXAWXMBDMBRY-UHFFFAOYSA-N 1 0 346.519 3.169 20 10 EGCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCC(=O)N1 ZINC000835061127 1293195612 /nfs/dbraw/zinc/19/56/12/1293195612.db2.gz QCPRBAHRRMHRMZ-QFIPXVFZSA-N 1 0 349.478 3.008 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1 ZINC000835070250 1293198737 /nfs/dbraw/zinc/19/87/37/1293198737.db2.gz MHADRCMJYQKTJK-WOJBJXKFSA-N 1 0 338.451 3.141 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1O ZINC000835077163 1293202292 /nfs/dbraw/zinc/20/22/92/1293202292.db2.gz QEUCOUKHHBYVCK-UHFFFAOYSA-N 1 0 337.851 3.446 20 10 EGCDRO COc1ccc(CC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000120864868 1293342714 /nfs/dbraw/zinc/34/27/14/1293342714.db2.gz DTNCEKOKEFMKCT-UHFFFAOYSA-N 1 0 340.467 3.206 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1cccc(Br)c1[O-])c1ccsc1 ZINC000124113717 1293467370 /nfs/dbraw/zinc/46/73/70/1293467370.db2.gz KDHUASUSILXADQ-AWEZNQCLSA-N 1 0 342.258 3.214 20 10 EGCDRO CCC[N@H+](CC(=O)NCc1ccccc1C)Cc1ccccc1O ZINC000130735956 1293666852 /nfs/dbraw/zinc/66/68/52/1293666852.db2.gz JNHMYJUYJHEKKA-UHFFFAOYSA-N 1 0 326.440 3.229 20 10 EGCDRO COC[C@H](O)CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000153735891 1294025974 /nfs/dbraw/zinc/02/59/74/1294025974.db2.gz ZDVXMAUPMGMZQZ-MRXNPFEDSA-N 1 0 337.504 3.474 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000153883385 1294032502 /nfs/dbraw/zinc/03/25/02/1294032502.db2.gz ZBIJXQSSWWVKGW-KDOFPFPSSA-N 1 0 334.460 3.089 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000154045726 1294039917 /nfs/dbraw/zinc/03/99/17/1294039917.db2.gz YCQUUXAROGPOLF-BLLLJJGKSA-N 1 0 329.419 3.185 20 10 EGCDRO CCCCNC(=O)C1([NH2+]Cc2cc(OC)ccc2O)CCCCC1 ZINC000154631219 1294064194 /nfs/dbraw/zinc/06/41/94/1294064194.db2.gz PUPHNJMQOGGDBY-UHFFFAOYSA-N 1 0 334.460 3.110 20 10 EGCDRO CCn1cc([C@@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000157414679 1294177525 /nfs/dbraw/zinc/17/75/25/1294177525.db2.gz NKNNHRPJWOYSAL-OAHLLOKOSA-N 1 0 328.460 3.231 20 10 EGCDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000157610984 1294182356 /nfs/dbraw/zinc/18/23/56/1294182356.db2.gz AKZZWKQLUFRBGL-MRXNPFEDSA-N 1 0 330.501 3.005 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)CCOc2cccc(C)c2)cc1OC ZINC000158884156 1294218723 /nfs/dbraw/zinc/21/87/23/1294218723.db2.gz NTNOVTSJTWRSDZ-UHFFFAOYSA-N 1 0 331.412 3.229 20 10 EGCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160045461 1294256179 /nfs/dbraw/zinc/25/61/79/1294256179.db2.gz RSFGHTIYJOBAEZ-CVEARBPZSA-N 1 0 348.487 3.226 20 10 EGCDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)cn1 ZINC000160342140 1294265635 /nfs/dbraw/zinc/26/56/35/1294265635.db2.gz ZKUSWZJWALVJJS-HNNXBMFYSA-N 1 0 325.456 3.069 20 10 EGCDRO COc1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000160418920 1294267931 /nfs/dbraw/zinc/26/79/31/1294267931.db2.gz HJNGYJZOZIIFOC-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO CC[N@@H+](Cc1cccc(OC)c1O)C[C@@H]1COc2ccccc2O1 ZINC000160953573 1294282218 /nfs/dbraw/zinc/28/22/18/1294282218.db2.gz KHNGFICVWLQEBS-OAHLLOKOSA-N 1 0 329.396 3.063 20 10 EGCDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161210551 1294286659 /nfs/dbraw/zinc/28/66/59/1294286659.db2.gz ILYSGYPIDKKIRF-WMZOPIPTSA-N 1 0 349.494 3.187 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000161540320 1294294359 /nfs/dbraw/zinc/29/43/59/1294294359.db2.gz NBIXPGHJMGSUEM-AWEZNQCLSA-N 1 0 348.487 3.336 20 10 EGCDRO CC[NH+]1CCC(NC(=O)CSc2ncc(C(C)(C)C)s2)CC1 ZINC000164183872 1294345461 /nfs/dbraw/zinc/34/54/61/1294345461.db2.gz WBVMTAJMLGIQKM-UHFFFAOYSA-N 1 0 341.546 3.133 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000164328635 1294346456 /nfs/dbraw/zinc/34/64/56/1294346456.db2.gz SCCBLPWBHZKDON-INIZCTEOSA-N 1 0 332.488 3.383 20 10 EGCDRO O[C@](C[NH2+]Cc1ccc2c(c1)CCO2)(c1ccccc1)C(F)(F)F ZINC000170790622 1294382305 /nfs/dbraw/zinc/38/23/05/1294382305.db2.gz NLDZORGRBMHAAB-QGZVFWFLSA-N 1 0 337.341 3.161 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]CCSC(F)(F)F ZINC000171128310 1294395087 /nfs/dbraw/zinc/39/50/87/1294395087.db2.gz MENPWQXJPPNFGY-UHFFFAOYSA-N 1 0 330.169 3.497 20 10 EGCDRO C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)C[NH+](C)C ZINC000176013969 1294584650 /nfs/dbraw/zinc/58/46/50/1294584650.db2.gz FZAJBGYKNKGJEO-INIZCTEOSA-N 1 0 346.519 3.062 20 10 EGCDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000177958834 1294705758 /nfs/dbraw/zinc/70/57/58/1294705758.db2.gz HFWWRAMNHBGJPS-KGLIPLIRSA-N 1 0 346.450 3.116 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000178884138 1294760116 /nfs/dbraw/zinc/76/01/16/1294760116.db2.gz YJOYFQYQNPVHTN-OAHLLOKOSA-N 1 0 334.460 3.356 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000179577688 1294806804 /nfs/dbraw/zinc/80/68/04/1294806804.db2.gz FTFYEDMCUKTZJA-HXUWFJFHSA-N 1 0 337.467 3.163 20 10 EGCDRO CCN(C[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1)CC(F)(F)F ZINC000180551498 1294898906 /nfs/dbraw/zinc/89/89/06/1294898906.db2.gz ILWQLJRWFSIOJO-CYBMUJFWSA-N 1 0 346.393 3.107 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cc(F)ccc1O ZINC000185063501 1295238748 /nfs/dbraw/zinc/23/87/48/1295238748.db2.gz QYEASPDHOYHVTN-OAHLLOKOSA-N 1 0 344.430 3.214 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1O ZINC000189628652 1295534960 /nfs/dbraw/zinc/53/49/60/1295534960.db2.gz XXZIKHHZKMJUPA-BBRMVZONSA-N 1 0 347.377 3.364 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1O ZINC000189628674 1295535504 /nfs/dbraw/zinc/53/55/04/1295535504.db2.gz XXZIKHHZKMJUPA-XJKSGUPXSA-N 1 0 347.377 3.364 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@](C)(C(=O)OC)c2ccccc2)c1O ZINC000191581176 1295693343 /nfs/dbraw/zinc/69/33/43/1295693343.db2.gz GICLJDXLPZTDBS-FQEVSTJZSA-N 1 0 343.423 3.011 20 10 EGCDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000237065966 1296219830 /nfs/dbraw/zinc/21/98/30/1296219830.db2.gz HCIAZLJMJIPBMT-GOSISDBHSA-N 1 0 339.483 3.474 20 10 EGCDRO CC[NH+](CC)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000248136462 1296407001 /nfs/dbraw/zinc/40/70/01/1296407001.db2.gz ZWOBROXEFVLTTQ-UHFFFAOYSA-N 1 0 327.472 3.474 20 10 EGCDRO C[NH+](C)CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1 ZINC000255318988 1296518576 /nfs/dbraw/zinc/51/85/76/1296518576.db2.gz PNBLSZPPLMATDI-LUAWRHEFSA-N 1 0 329.831 3.343 20 10 EGCDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000261876838 1296608850 /nfs/dbraw/zinc/60/88/50/1296608850.db2.gz TTXHSUFKZRFYAE-RHSMWYFYSA-N 1 0 325.456 3.212 20 10 EGCDRO Cc1cccc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000279977780 1296723281 /nfs/dbraw/zinc/72/32/81/1296723281.db2.gz DKLGRSFKNYMBRA-INIZCTEOSA-N 1 0 343.446 3.259 20 10 EGCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000872136101 1296760513 /nfs/dbraw/zinc/76/05/13/1296760513.db2.gz JLPLLEXNNSZXNJ-XEKQOVJPSA-N 1 0 331.412 3.182 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872267289 1296869456 /nfs/dbraw/zinc/86/94/56/1296869456.db2.gz XPTYMUVWYAOQFU-HDICACEKSA-N 1 0 325.408 3.049 20 10 EGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CN(C)C(=O)OC(C)(C)C ZINC000310558533 1297093959 /nfs/dbraw/zinc/09/39/59/1297093959.db2.gz JCPGJZLITGRRKV-DZGCQCFKSA-N 1 0 334.460 3.472 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1cc(F)ccc1O ZINC000311844319 1297113381 /nfs/dbraw/zinc/11/33/81/1297113381.db2.gz OCOZIZOIZHHCQF-QAPCUYQASA-N 1 0 344.430 3.083 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Br)ccc1O ZINC000315761534 1297138470 /nfs/dbraw/zinc/13/84/70/1297138470.db2.gz CMAYCWNHFTYFHL-HIFRSBDPSA-N 1 0 328.250 3.356 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000325652157 1297228236 /nfs/dbraw/zinc/22/82/36/1297228236.db2.gz HQVJUNBAIWGZKS-UHFFFAOYSA-N 1 0 331.504 3.400 20 10 EGCDRO CCCOc1ccc(C[NH2+]Cc2cc(=O)n3ccccc3n2)cc1C ZINC000873132704 1297289247 /nfs/dbraw/zinc/28/92/47/1297289247.db2.gz CNXNUBZSEAJSCZ-UHFFFAOYSA-N 1 0 337.423 3.082 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000406041090 1297765844 /nfs/dbraw/zinc/76/58/44/1297765844.db2.gz TZVFLKIKLAGZQK-FQEVSTJZSA-N 1 0 326.440 3.155 20 10 EGCDRO CC[C@@H]([NH2+]CCC1CC(O)C1)c1cc(Br)ccc1O ZINC000702437316 1298195911 /nfs/dbraw/zinc/19/59/11/1298195911.db2.gz SJNKTDLEOWIEFH-MMWSSPAHSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1c(O)cccc1Br ZINC000706875371 1298225168 /nfs/dbraw/zinc/22/51/68/1298225168.db2.gz WHZADUDZHITFRR-LBPRGKRZSA-N 1 0 327.266 3.119 20 10 EGCDRO C[NH+](C)[C@@H]1CCC[C@@H](NCc2c(O)cccc2Br)C1 ZINC000715542431 1298280028 /nfs/dbraw/zinc/28/00/28/1298280028.db2.gz LDHHIRBEGPOSCH-VXGBXAGGSA-N 1 0 327.266 3.117 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CCc2ccc(C)o2)c1O ZINC000725847790 1298374260 /nfs/dbraw/zinc/37/42/60/1298374260.db2.gz QLQKBZOWHPZZOR-UHFFFAOYSA-N 1 0 340.217 3.397 20 10 EGCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000746117969 1298536736 /nfs/dbraw/zinc/53/67/36/1298536736.db2.gz OOEHQPNSKBQUSX-HOTGVXAUSA-N 1 0 329.488 3.116 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C/C=C\Cc2ccccc2)cc1 ZINC000876505682 1298796640 /nfs/dbraw/zinc/79/66/40/1298796640.db2.gz AKJHTBVCBVEQNY-PXDRNWIDSA-N 1 0 337.467 3.058 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000876614907 1298869618 /nfs/dbraw/zinc/86/96/18/1298869618.db2.gz WHEWKYVEFBEVME-OAHLLOKOSA-N 1 0 330.472 3.171 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000876621502 1298875914 /nfs/dbraw/zinc/87/59/14/1298875914.db2.gz APWFVTHYAWSMCL-UHFFFAOYSA-N 1 0 330.472 3.171 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000876812533 1299007359 /nfs/dbraw/zinc/00/73/59/1299007359.db2.gz MKJGRDKCZAWVLW-XLIONFOSSA-N 1 0 327.424 3.025 20 10 EGCDRO CC[NH2+][C@@H](C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000876872376 1299045630 /nfs/dbraw/zinc/04/56/30/1299045630.db2.gz BXFFTTXKTIQRIS-JKSUJKDBSA-N 1 0 326.440 3.480 20 10 EGCDRO Cc1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c(O)c1 ZINC000876892237 1299053327 /nfs/dbraw/zinc/05/33/27/1299053327.db2.gz IENPILMUTYTVEN-IBGZPJMESA-N 1 0 344.430 3.003 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000876895127 1299054464 /nfs/dbraw/zinc/05/44/64/1299054464.db2.gz YVZLXBMGVQANTN-IBGZPJMESA-N 1 0 344.430 3.003 20 10 EGCDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876932622 1299074360 /nfs/dbraw/zinc/07/43/60/1299074360.db2.gz RJLHRJBPBFWYFF-DYESRHJHSA-N 1 0 346.515 3.333 20 10 EGCDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)OC ZINC000876966579 1299091510 /nfs/dbraw/zinc/09/15/10/1299091510.db2.gz WRYWXSFZLNOXBT-OXJNMPFZSA-N 1 0 334.504 3.046 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Oc1ccccc1 ZINC000877047356 1299131223 /nfs/dbraw/zinc/13/12/23/1299131223.db2.gz XSAUYACYCKZASK-QGZVFWFLSA-N 1 0 340.467 3.205 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC000749125267 1299148114 /nfs/dbraw/zinc/14/81/14/1299148114.db2.gz CGIYPTBEGCUPOA-LPHOPBHVSA-N 1 0 343.515 3.447 20 10 EGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(C)cc1O ZINC000877114115 1299162621 /nfs/dbraw/zinc/16/26/21/1299162621.db2.gz KZHKJYTWVDOBAF-INIZCTEOSA-N 1 0 333.453 3.043 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000749322988 1299193905 /nfs/dbraw/zinc/19/39/05/1299193905.db2.gz JIZHSBVSDXCQGF-AWEZNQCLSA-N 1 0 331.847 3.422 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000877476900 1299326821 /nfs/dbraw/zinc/32/68/21/1299326821.db2.gz QQUGQEJWDVPUNR-LJQANCHMSA-N 1 0 340.467 3.081 20 10 EGCDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877487255 1299337759 /nfs/dbraw/zinc/33/77/59/1299337759.db2.gz RKCUMJMFJLIKND-SUMWQHHRSA-N 1 0 342.405 3.420 20 10 EGCDRO Cc1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(O)c1 ZINC000877537484 1299378265 /nfs/dbraw/zinc/37/82/65/1299378265.db2.gz LZFFVYVJLAJQTG-HXUWFJFHSA-N 1 0 329.415 3.267 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c(O)c1 ZINC000877543227 1299384348 /nfs/dbraw/zinc/38/43/48/1299384348.db2.gz AGMIVPSEEUMDDK-OAHLLOKOSA-N 1 0 339.439 3.471 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c1O ZINC000877645649 1299452506 /nfs/dbraw/zinc/45/25/06/1299452506.db2.gz RDISYQYINMGIRE-INIZCTEOSA-N 1 0 348.830 3.240 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000877694004 1299486559 /nfs/dbraw/zinc/48/65/59/1299486559.db2.gz WTEAWWVLKMOLBV-PRHODGIISA-N 1 0 344.299 3.173 20 10 EGCDRO C[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1Cc1ccccc1 ZINC000751071053 1299507634 /nfs/dbraw/zinc/50/76/34/1299507634.db2.gz RKLPZHNLXDDJQO-ZFWWWQNUSA-N 1 0 330.453 3.237 20 10 EGCDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000877756441 1299533272 /nfs/dbraw/zinc/53/32/72/1299533272.db2.gz IRBYLEMFAHFAIA-UONOGXRCSA-N 1 0 328.412 3.469 20 10 EGCDRO C[C@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000753566728 1299975432 /nfs/dbraw/zinc/97/54/32/1299975432.db2.gz UKCHSDIOMLCOCF-HXUWFJFHSA-N 1 0 327.424 3.487 20 10 EGCDRO OC[C@H](CC1CC1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753570209 1299976298 /nfs/dbraw/zinc/97/62/98/1299976298.db2.gz ISTANWMVEJHMFX-SFHVURJKSA-N 1 0 327.424 3.222 20 10 EGCDRO C[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000878455179 1300012187 /nfs/dbraw/zinc/01/21/87/1300012187.db2.gz RGNOIBMBELMKID-AWEZNQCLSA-N 1 0 326.506 3.007 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)cc1F ZINC000753818884 1300024342 /nfs/dbraw/zinc/02/43/42/1300024342.db2.gz WXFOJEPGZSPNGT-CQSZACIVSA-N 1 0 337.483 3.455 20 10 EGCDRO C[C@H]1C[C@@H](CCNC(=O)C2=CC(=O)CS2)C[N@@H+]1Cc1ccccc1 ZINC000753831633 1300027990 /nfs/dbraw/zinc/02/79/90/1300027990.db2.gz VWYFKCSTXZKROY-GOEBONIOSA-N 1 0 344.480 3.484 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cccc(N(C)C)c3)CC2)cc1F ZINC000753859967 1300031923 /nfs/dbraw/zinc/03/19/23/1300031923.db2.gz DMHTYZBPWCVCBG-UHFFFAOYSA-N 1 0 343.446 3.223 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(O)c(C(C)(C)C)c1 ZINC000755793408 1300398771 /nfs/dbraw/zinc/39/87/71/1300398771.db2.gz ZSBUEBWNITVKLF-CQSZACIVSA-N 1 0 343.471 3.421 20 10 EGCDRO CCC1(CC)CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000756024805 1300428327 /nfs/dbraw/zinc/42/83/27/1300428327.db2.gz XZNKPZHPEUVHDC-UHFFFAOYSA-N 1 0 331.504 3.223 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]CCCN2CCCCCC2=O)c2c1c(F)ccc2O ZINC000756370386 1300478422 /nfs/dbraw/zinc/47/84/22/1300478422.db2.gz GGDUFXFPNODKPI-HIFRSBDPSA-N 1 0 334.435 3.462 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000756430997 1300488777 /nfs/dbraw/zinc/48/87/77/1300488777.db2.gz AOSAFZWBINTCQM-IUODEOHRSA-N 1 0 346.402 3.290 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(OC)cc(OC)cc2OC)c1 ZINC000756432388 1300490047 /nfs/dbraw/zinc/49/00/47/1300490047.db2.gz RWLDWXLJJCLGPD-GFCCVEGCSA-N 1 0 347.411 3.277 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756453663 1300494987 /nfs/dbraw/zinc/49/49/87/1300494987.db2.gz HQMOPNWVLHBDCA-JJRVBVJISA-N 1 0 345.414 3.418 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000756461982 1300497834 /nfs/dbraw/zinc/49/78/34/1300497834.db2.gz WJXIDGAHRWVNKC-CYBMUJFWSA-N 1 0 332.831 3.435 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c2c1c(F)ccc2O ZINC000756474264 1300499885 /nfs/dbraw/zinc/49/98/85/1300499885.db2.gz HWXQSHKKVWAZFS-XJKCOSOUSA-N 1 0 340.398 3.475 20 10 EGCDRO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756490256 1300504814 /nfs/dbraw/zinc/50/48/14/1300504814.db2.gz NAKCGKWHPQLPNI-AWEZNQCLSA-N 1 0 349.438 3.098 20 10 EGCDRO COCCCN1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756527979 1300514482 /nfs/dbraw/zinc/51/44/82/1300514482.db2.gz LMLXRSHVTUFOGO-CZUORRHYSA-N 1 0 336.451 3.170 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756604704 1300530805 /nfs/dbraw/zinc/53/08/05/1300530805.db2.gz PDVAGMFUTAJQIV-OAHLLOKOSA-N 1 0 326.440 3.262 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc(Br)ccc1O ZINC000756609977 1300532440 /nfs/dbraw/zinc/53/24/40/1300532440.db2.gz GRGBTDPVZHKHOR-NTZNESFSSA-N 1 0 327.266 3.288 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000756737072 1300556330 /nfs/dbraw/zinc/55/63/30/1300556330.db2.gz DEELGLMSNABNAC-CYZMBNFOSA-N 1 0 331.865 3.052 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2O ZINC000756737925 1300557127 /nfs/dbraw/zinc/55/71/27/1300557127.db2.gz HZAOOTSJGDUZAA-NMKXLXIOSA-N 1 0 341.448 3.025 20 10 EGCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C2 ZINC000756774952 1300564351 /nfs/dbraw/zinc/56/43/51/1300564351.db2.gz MPRQQQZXHYWTLY-ZWNOBZJWSA-N 1 0 335.350 3.333 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000756777332 1300565253 /nfs/dbraw/zinc/56/52/53/1300565253.db2.gz IBUYAWULRHLXOC-GCOQZVFPSA-N 1 0 325.499 3.431 20 10 EGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C(F)(F)F ZINC000756836945 1300574227 /nfs/dbraw/zinc/57/42/27/1300574227.db2.gz ZSKMHSDFVHTZDA-CPCISQLKSA-N 1 0 342.155 3.383 20 10 EGCDRO CCOc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648999 1300649910 /nfs/dbraw/zinc/64/99/10/1300649910.db2.gz ITMPKIPFOMBRTC-OAHLLOKOSA-N 1 0 342.439 3.100 20 10 EGCDRO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000758715148 1300943013 /nfs/dbraw/zinc/94/30/13/1300943013.db2.gz HLBPZNOAADYTLG-UHFFFAOYSA-N 1 0 327.428 3.395 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]Cc2nn(C)c3ccccc23)c1O ZINC000761224958 1301424314 /nfs/dbraw/zinc/42/43/14/1301424314.db2.gz DCLFJQKAZBKXCY-UHFFFAOYSA-N 1 0 331.803 3.231 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c(O)c1 ZINC000762613942 1301713214 /nfs/dbraw/zinc/71/32/14/1301713214.db2.gz LHPHDNQNBSAQRY-BMFZPTHFSA-N 1 0 325.499 3.260 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)C(C)(C)C)CC2)cc1 ZINC000764686213 1302118061 /nfs/dbraw/zinc/11/80/61/1302118061.db2.gz ZXUMTNILAAXEMS-QGZVFWFLSA-N 1 0 333.520 3.232 20 10 EGCDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000764761235 1302129038 /nfs/dbraw/zinc/12/90/38/1302129038.db2.gz LBJDHCKEWNHDQM-OAHLLOKOSA-N 1 0 341.455 3.188 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000765312191 1302246041 /nfs/dbraw/zinc/24/60/41/1302246041.db2.gz YLBLGOUTVFWURO-IBGZPJMESA-N 1 0 343.446 3.362 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CCCC23OCCO3)c(O)c(C(C)(C)C)c1 ZINC000883178079 1302287144 /nfs/dbraw/zinc/28/71/44/1302287144.db2.gz OKMRCWVPZCDXGA-INIZCTEOSA-N 1 0 335.444 3.084 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000765977005 1302359824 /nfs/dbraw/zinc/35/98/24/1302359824.db2.gz PFQORJPRKYSURW-LAUBAEHRSA-N 1 0 345.531 3.437 20 10 EGCDRO CCc1nncn1CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766310777 1302428339 /nfs/dbraw/zinc/42/83/39/1302428339.db2.gz UXXVSCAOVOBOFI-MRXNPFEDSA-N 1 0 327.476 3.182 20 10 EGCDRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768247785 1302865447 /nfs/dbraw/zinc/86/54/47/1302865447.db2.gz CZRMRGKIWWIKJJ-AWEZNQCLSA-N 1 0 340.851 3.487 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(C)CCO[C@@H]3C3CC3)CC2)cc1 ZINC000768296366 1302875467 /nfs/dbraw/zinc/87/54/67/1302875467.db2.gz WXDBZTROXMNNHL-NHCUHLMSSA-N 1 0 344.499 3.459 20 10 EGCDRO CCOc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(O)c1 ZINC000768438967 1302900509 /nfs/dbraw/zinc/90/05/09/1302900509.db2.gz CLDTWUUKAUHIJU-UHFFFAOYSA-N 1 0 340.423 3.054 20 10 EGCDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768441496 1302903989 /nfs/dbraw/zinc/90/39/89/1302903989.db2.gz MGYAPCGXTWNRTH-MJGOQNOKSA-N 1 0 325.408 3.464 20 10 EGCDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445680 1302905849 /nfs/dbraw/zinc/90/58/49/1302905849.db2.gz GMNICPZNLCFYDB-XLIONFOSSA-N 1 0 339.435 3.334 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768452134 1302909395 /nfs/dbraw/zinc/90/93/95/1302909395.db2.gz OYWAJHIGHIVKSY-KRWDZBQOSA-N 1 0 346.471 3.370 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCOC3(CCOCC3)CC1)CCCC2 ZINC000768905320 1303010666 /nfs/dbraw/zinc/01/06/66/1303010666.db2.gz KPXSBUFENAKBST-UHFFFAOYSA-N 1 0 331.456 3.043 20 10 EGCDRO COc1cc(Br)cc(C[N@H+](C)Cc2ccoc2)c1O ZINC000769006425 1303030716 /nfs/dbraw/zinc/03/07/16/1303030716.db2.gz TVKZQGPNAMPJBZ-UHFFFAOYSA-N 1 0 326.190 3.388 20 10 EGCDRO O=C1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H]2CCCC[C@H]2N1 ZINC000769192850 1303067785 /nfs/dbraw/zinc/06/77/85/1303067785.db2.gz QOEBZHBMKKDYAM-RTBURBONSA-N 1 0 336.435 3.302 20 10 EGCDRO CC(C)COC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000769225012 1303076208 /nfs/dbraw/zinc/07/62/08/1303076208.db2.gz GSUXRQRYVJKAPP-UHFFFAOYSA-N 1 0 340.851 3.346 20 10 EGCDRO CCCC[N@H+](CCOC)Cc1cc(Br)cc(OC)c1O ZINC000769389358 1303103412 /nfs/dbraw/zinc/10/34/12/1303103412.db2.gz NHYOOTUJLUIPLT-UHFFFAOYSA-N 1 0 346.265 3.412 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(O)c1 ZINC000769386656 1303103821 /nfs/dbraw/zinc/10/38/21/1303103821.db2.gz DLXUCHKXGKACNK-HNNXBMFYSA-N 1 0 348.487 3.165 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000769423772 1303110643 /nfs/dbraw/zinc/11/06/43/1303110643.db2.gz IINHTSFVVFRLPY-HOCLYGCPSA-N 1 0 334.460 3.436 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000769525369 1303134652 /nfs/dbraw/zinc/13/46/52/1303134652.db2.gz HMMUBSSVHOJZHJ-FQEVSTJZSA-N 1 0 332.488 3.303 20 10 EGCDRO COC1CC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000769528388 1303135913 /nfs/dbraw/zinc/13/59/13/1303135913.db2.gz WIFONJGMZVJJQJ-VEAWUBTESA-N 1 0 326.387 3.024 20 10 EGCDRO COc1cccc(OC)c1OC1CC[NH+](Cc2ccccc2O)CC1 ZINC000770510465 1303280400 /nfs/dbraw/zinc/28/04/00/1303280400.db2.gz LWUDBKMENMNYML-UHFFFAOYSA-N 1 0 343.423 3.453 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000771926252 1303462157 /nfs/dbraw/zinc/46/21/57/1303462157.db2.gz FAALHGNZEUSQQE-UHFFFAOYSA-N 1 0 326.440 3.109 20 10 EGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000772083322 1303484501 /nfs/dbraw/zinc/48/45/01/1303484501.db2.gz SEFIZKXKAKCYJB-HNNXBMFYSA-N 1 0 331.504 3.410 20 10 EGCDRO C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1c(O)cccc1F ZINC000886578260 1303509538 /nfs/dbraw/zinc/50/95/38/1303509538.db2.gz PPYHLLKACYZXDW-UKRRQHHQSA-N 1 0 344.434 3.240 20 10 EGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746871 1303582156 /nfs/dbraw/zinc/58/21/56/1303582156.db2.gz DTPMTFLERJXBQA-VQIMIIECSA-N 1 0 329.488 3.057 20 10 EGCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746870 1303582474 /nfs/dbraw/zinc/58/24/74/1303582474.db2.gz DTPMTFLERJXBQA-QFBILLFUSA-N 1 0 329.488 3.057 20 10 EGCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000886749048 1303583058 /nfs/dbraw/zinc/58/30/58/1303583058.db2.gz HZRVGJDAQIMCDA-HXUWFJFHSA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCCCC1 ZINC000886747606 1303583785 /nfs/dbraw/zinc/58/37/85/1303583785.db2.gz ZFILURXWNJMUIP-MRXNPFEDSA-N 1 0 343.515 3.447 20 10 EGCDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000772949471 1303597659 /nfs/dbraw/zinc/59/76/59/1303597659.db2.gz BLZPKEUWMHXHQJ-GJZGRUSLSA-N 1 0 348.878 3.112 20 10 EGCDRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773061514 1303617120 /nfs/dbraw/zinc/61/71/20/1303617120.db2.gz ZGWGOZCKCNFVPN-HNNXBMFYSA-N 1 0 344.455 3.499 20 10 EGCDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000773428558 1303678863 /nfs/dbraw/zinc/67/88/63/1303678863.db2.gz QEBVUSQTPAKSIZ-HNNXBMFYSA-N 1 0 343.446 3.471 20 10 EGCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000773428563 1303679265 /nfs/dbraw/zinc/67/92/65/1303679265.db2.gz QEBVUSQTPAKSIZ-OAHLLOKOSA-N 1 0 343.446 3.471 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)cc1 ZINC000773755653 1303735515 /nfs/dbraw/zinc/73/55/15/1303735515.db2.gz VBPXLUXBPSNROX-SFHVURJKSA-N 1 0 338.499 3.417 20 10 EGCDRO CCN(C)c1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1 ZINC000773810762 1303740548 /nfs/dbraw/zinc/74/05/48/1303740548.db2.gz KVXFWDBCXNOACJ-HXUWFJFHSA-N 1 0 339.483 3.452 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774109972 1303774330 /nfs/dbraw/zinc/77/43/30/1303774330.db2.gz JMTAVEOLCKBTAI-IAGOWNOFSA-N 1 0 343.431 3.131 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 ZINC000774480766 1303815117 /nfs/dbraw/zinc/81/51/17/1303815117.db2.gz DIHIEGRIGCZTEX-IAGOWNOFSA-N 1 0 339.483 3.450 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000774482002 1303815482 /nfs/dbraw/zinc/81/54/82/1303815482.db2.gz DIZNYISVKKEKGV-OLZOCXBDSA-N 1 0 346.862 3.479 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCC(C)CC1 ZINC000774486771 1303816860 /nfs/dbraw/zinc/81/68/60/1303816860.db2.gz XQUQDBAAOQACJB-GARNVTTQSA-N 1 0 331.504 3.487 20 10 EGCDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774913720 1303876634 /nfs/dbraw/zinc/87/66/34/1303876634.db2.gz OZUKKRWZZXSCMX-QWHCGFSZSA-N 1 0 340.445 3.415 20 10 EGCDRO COc1c([O-])c(C[NH2+]Cc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000774978398 1303885269 /nfs/dbraw/zinc/88/52/69/1303885269.db2.gz SSXHEXKBCJWDHU-UHFFFAOYSA-N 1 0 346.383 3.386 20 10 EGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000775199778 1303923679 /nfs/dbraw/zinc/92/36/79/1303923679.db2.gz GFGFNKBADXOZCS-LJQANCHMSA-N 1 0 335.444 3.202 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c(O)c1 ZINC000775204734 1303925188 /nfs/dbraw/zinc/92/51/88/1303925188.db2.gz CKVPJAWTLCZJJA-UHFFFAOYSA-N 1 0 346.402 3.368 20 10 EGCDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000775418287 1303961622 /nfs/dbraw/zinc/96/16/22/1303961622.db2.gz PUWYKJABMVGOEN-ZSZQSSIHSA-N 1 0 336.451 3.128 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@H]1Oc1ccccc1 ZINC000775484790 1303971022 /nfs/dbraw/zinc/97/10/22/1303971022.db2.gz IWFJYFSTXWUMQU-PWRODBHTSA-N 1 0 340.467 3.467 20 10 EGCDRO CCOC1CC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000775634563 1303998993 /nfs/dbraw/zinc/99/89/93/1303998993.db2.gz XYIYCNUAADVRNS-CBCUQQMYSA-N 1 0 340.414 3.414 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)cc(C)c1O)C[C@@H]1CCOC1 ZINC000775654014 1304005472 /nfs/dbraw/zinc/00/54/72/1304005472.db2.gz RGTVDBBUCYETBS-LBPRGKRZSA-N 1 0 328.250 3.322 20 10 EGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000775700196 1304018273 /nfs/dbraw/zinc/01/82/73/1304018273.db2.gz DJMLGRHKCRQPCR-AWEZNQCLSA-N 1 0 336.863 3.188 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000775826687 1304044390 /nfs/dbraw/zinc/04/43/90/1304044390.db2.gz FPCSDSYYFKOJIO-GFCCVEGCSA-N 1 0 332.835 3.090 20 10 EGCDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775830633 1304045618 /nfs/dbraw/zinc/04/56/18/1304045618.db2.gz LJSRFPDCHPQJJL-FXAWDEMLSA-N 1 0 342.483 3.460 20 10 EGCDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000775834137 1304046278 /nfs/dbraw/zinc/04/62/78/1304046278.db2.gz KNNOCYMRRFRIHS-KBPBESRZSA-N 1 0 331.485 3.342 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775835541 1304047576 /nfs/dbraw/zinc/04/75/76/1304047576.db2.gz UIRMOGBGKDITQA-TXPKVOOTSA-N 1 0 331.504 3.440 20 10 EGCDRO C[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccc(N(C)C)cc1 ZINC000775835750 1304047625 /nfs/dbraw/zinc/04/76/25/1304047625.db2.gz IXUVGOCNFGCLEQ-YOEHRIQHSA-N 1 0 334.485 3.042 20 10 EGCDRO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775837356 1304048253 /nfs/dbraw/zinc/04/82/53/1304048253.db2.gz RRVAWKNLAPUTRY-CQSZACIVSA-N 1 0 339.439 3.245 20 10 EGCDRO C[C@@H](NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776238445 1304118752 /nfs/dbraw/zinc/11/87/52/1304118752.db2.gz ODNUJJQOOSWPRL-HZPDHXFCSA-N 1 0 346.519 3.185 20 10 EGCDRO C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776249431 1304120797 /nfs/dbraw/zinc/12/07/97/1304120797.db2.gz OQWNJLAUAMIAAZ-INIZCTEOSA-N 1 0 346.519 3.329 20 10 EGCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000776249508 1304120986 /nfs/dbraw/zinc/12/09/86/1304120986.db2.gz OWMWZEPDIMFGHQ-BXWFABGCSA-N 1 0 346.519 3.328 20 10 EGCDRO C[C@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000776248402 1304121220 /nfs/dbraw/zinc/12/12/20/1304121220.db2.gz ZOHOJGBGWRDGTC-INIZCTEOSA-N 1 0 344.503 3.083 20 10 EGCDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000776294611 1304130435 /nfs/dbraw/zinc/13/04/35/1304130435.db2.gz FTEODKQSYPLGQI-INIZCTEOSA-N 1 0 330.453 3.094 20 10 EGCDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779036445 1304521640 /nfs/dbraw/zinc/52/16/40/1304521640.db2.gz OIQWPCYPGJGHJA-NWDGAFQWSA-N 1 0 346.265 3.165 20 10 EGCDRO OC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(C(F)(F)F)cc1 ZINC000779099869 1304529100 /nfs/dbraw/zinc/52/91/00/1304529100.db2.gz CRMRPURKHPPLEH-CQSZACIVSA-N 1 0 329.293 3.373 20 10 EGCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000779527068 1304580861 /nfs/dbraw/zinc/58/08/61/1304580861.db2.gz CCMZKLSHLYDCPO-WZUFQYTHSA-N 1 0 344.455 3.024 20 10 EGCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000779605768 1304586965 /nfs/dbraw/zinc/58/69/65/1304586965.db2.gz YRZBKGPQSPEIQJ-CYBMUJFWSA-N 1 0 325.836 3.457 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC=CO2)ccc1N1CCCCC1 ZINC000780565586 1304710298 /nfs/dbraw/zinc/71/02/98/1304710298.db2.gz BSFHTDQLMHZBNM-MRXNPFEDSA-N 1 0 331.416 3.367 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2c1OCC2 ZINC000891523826 1305078540 /nfs/dbraw/zinc/07/85/40/1305078540.db2.gz DCFXLLFPSKTVGN-UHFFFAOYSA-N 1 0 338.451 3.090 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000783513238 1305101225 /nfs/dbraw/zinc/10/12/25/1305101225.db2.gz JSELGCAXXXBILT-CSODHUTKSA-N 1 0 340.467 3.332 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c(O)c1 ZINC000783718096 1305131704 /nfs/dbraw/zinc/13/17/04/1305131704.db2.gz OSOINXYDMDMRGS-HNNXBMFYSA-N 1 0 333.350 3.334 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cnc(F)cc3C)CC2)cc1 ZINC000891775472 1305161608 /nfs/dbraw/zinc/16/16/08/1305161608.db2.gz OYCUKKFOYDDVMR-UHFFFAOYSA-N 1 0 329.419 3.250 20 10 EGCDRO COc1ccc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c(O)c1OC ZINC000891783937 1305164034 /nfs/dbraw/zinc/16/40/34/1305164034.db2.gz PMSPFDSNCWTKCT-SFHVURJKSA-N 1 0 343.423 3.155 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CCc3cc(OC)ccc3C2)c1O ZINC000784622607 1305265964 /nfs/dbraw/zinc/26/59/64/1305265964.db2.gz CLAHTCBPOXHINV-QGZVFWFLSA-N 1 0 327.424 3.447 20 10 EGCDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC000787428105 1305744047 /nfs/dbraw/zinc/74/40/47/1305744047.db2.gz IXGFZJSVUOMCIO-FQEVSTJZSA-N 1 0 327.424 3.224 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000788604527 1305980730 /nfs/dbraw/zinc/98/07/30/1305980730.db2.gz CERGMGYCFWGTNI-IINYFYTJSA-N 1 0 329.375 3.223 20 10 EGCDRO C/C=C(\CC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000789816360 1306219743 /nfs/dbraw/zinc/21/97/43/1306219743.db2.gz LPVDEZWAGUSCQN-JORANLSZSA-N 1 0 336.863 3.483 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c(O)c1OC ZINC000894258115 1306305450 /nfs/dbraw/zinc/30/54/50/1306305450.db2.gz JFLKMPMMGRBOGK-HNNXBMFYSA-N 1 0 333.815 3.320 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2cccc3c2OCCCO3)c1O ZINC000894345180 1306352740 /nfs/dbraw/zinc/35/27/40/1306352740.db2.gz GHMLPXQAIFYGGC-UHFFFAOYSA-N 1 0 329.396 3.160 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1O ZINC000894370715 1306363533 /nfs/dbraw/zinc/36/35/33/1306363533.db2.gz ORCGFIJYVVOZGY-UHFFFAOYSA-N 1 0 337.423 3.400 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)cc1F ZINC000895006735 1309154237 /nfs/dbraw/zinc/15/42/37/1309154237.db2.gz CMGRUKKKQYBOPX-OAHLLOKOSA-N 1 0 331.439 3.088 20 10 EGCDRO CN(C)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000792920533 1309261279 /nfs/dbraw/zinc/26/12/79/1309261279.db2.gz ZDNSLOUOIOTXNZ-HOCLYGCPSA-N 1 0 341.421 3.488 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c(C(F)(F)F)c1 ZINC000793098810 1309296000 /nfs/dbraw/zinc/29/60/00/1309296000.db2.gz MPICQWNNNGYABO-CYBMUJFWSA-N 1 0 338.377 3.073 20 10 EGCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1c(O)cccc1OC ZINC000793259245 1309335377 /nfs/dbraw/zinc/33/53/77/1309335377.db2.gz HBAVNFWCHDSFOM-CYBMUJFWSA-N 1 0 338.448 3.136 20 10 EGCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(C)cc3O)C2)cc1F ZINC000895505211 1309378804 /nfs/dbraw/zinc/37/88/04/1309378804.db2.gz PFSIRUDHZYNVNX-HNNXBMFYSA-N 1 0 344.386 3.131 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000895845146 1309554257 /nfs/dbraw/zinc/55/42/57/1309554257.db2.gz NTYBWZNWFWPGCH-INIZCTEOSA-N 1 0 330.394 3.280 20 10 EGCDRO CC[C@@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccc(C)cc1O ZINC000794801314 1309597478 /nfs/dbraw/zinc/59/74/78/1309597478.db2.gz JMPPCDRBPGOFSN-GOSISDBHSA-N 1 0 326.440 3.344 20 10 EGCDRO C[C@H]([NH2+]CCN1CC=CCC1)c1ccc(Br)cc1O ZINC000794834365 1309604639 /nfs/dbraw/zinc/60/46/39/1309604639.db2.gz NAQNTHKSEKKLTJ-LBPRGKRZSA-N 1 0 325.250 3.067 20 10 EGCDRO Cc1cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000795705546 1309813522 /nfs/dbraw/zinc/81/35/22/1309813522.db2.gz YQVYLVZVLJLMIR-SJLPKXTDSA-N 1 0 346.515 3.293 20 10 EGCDRO c1cn(-c2ccccc2)c(NCc2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000795806381 1309839056 /nfs/dbraw/zinc/83/90/56/1309839056.db2.gz XKAOXTDLTUPBJW-UHFFFAOYSA-N 1 0 334.423 3.321 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2cnn3ccccc23)ccc1OC ZINC000796481404 1310011195 /nfs/dbraw/zinc/01/11/95/1310011195.db2.gz PSDUMKDXLRXUEN-UHFFFAOYSA-N 1 0 325.412 3.169 20 10 EGCDRO CSCC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000896936955 1310092467 /nfs/dbraw/zinc/09/24/67/1310092467.db2.gz GZPUFIUOHREKLY-UHFFFAOYSA-N 1 0 338.492 3.237 20 10 EGCDRO CN(C)c1ccc([C@@H](CNc2ncc(C(F)F)cn2)[NH+](C)C)cc1 ZINC000897521971 1310361189 /nfs/dbraw/zinc/36/11/89/1310361189.db2.gz JVKYTTWCEJRPKF-OAHLLOKOSA-N 1 0 335.402 3.195 20 10 EGCDRO CCOc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)c(O)c1 ZINC000798503606 1310374854 /nfs/dbraw/zinc/37/48/54/1310374854.db2.gz NIEMPZMINIJXPT-UHFFFAOYSA-N 1 0 333.457 3.006 20 10 EGCDRO Oc1cc(Br)ccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897983153 1310539831 /nfs/dbraw/zinc/53/98/31/1310539831.db2.gz ZTGXNFKXAIDXMM-UHFFFAOYSA-N 1 0 339.277 3.261 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)cc1C ZINC000800311564 1310730680 /nfs/dbraw/zinc/73/06/80/1310730680.db2.gz JZPZAZFGNCAPGN-MDZDMXLPSA-N 1 0 338.451 3.318 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cc3cnccc3o2)N(C)C)cc1 ZINC000898446839 1310739724 /nfs/dbraw/zinc/73/97/24/1310739724.db2.gz CGKDNJKTZBOXIW-LJQANCHMSA-N 1 0 338.455 3.286 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCC12CCOCC2)c1ccc(N2CCOCC2)cc1 ZINC000800475358 1310765148 /nfs/dbraw/zinc/76/51/48/1310765148.db2.gz WABAJZSLJQOZFD-APWZRJJASA-N 1 0 330.472 3.133 20 10 EGCDRO CCCC[N@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1O ZINC000801595114 1310971236 /nfs/dbraw/zinc/97/12/36/1310971236.db2.gz IGRAPFYXTPYAPS-UHFFFAOYSA-N 1 0 327.428 3.418 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCN(C)C[C@H]3C(C)C)cc2)CC1 ZINC000823172037 1320159497 /nfs/dbraw/zinc/15/94/97/1320159497.db2.gz JWCAOROMQIYVFP-NRFANRHFSA-N 1 0 345.531 3.074 20 10 EGCDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824620598 1320271049 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/nfs/dbraw/zinc/34/10/06/1317341006.db2.gz YPVDFTDKEQFWHS-GJYPPUQNSA-N 1 0 344.503 3.082 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000805767593 1317420694 /nfs/dbraw/zinc/42/06/94/1317420694.db2.gz LVWHBLUJGGEGBO-SJKOYZFVSA-N 1 0 336.863 3.307 20 10 EGCDRO CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000806129273 1317462031 /nfs/dbraw/zinc/46/20/31/1317462031.db2.gz DBWLUHWCIDHFBG-MRXNPFEDSA-N 1 0 339.911 3.112 20 10 EGCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858186133 1328706506 /nfs/dbraw/zinc/70/65/06/1328706506.db2.gz RCUWYECUAJREKV-UHFFFAOYSA-N 1 0 348.393 3.036 20 10 EGCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1cccs1 ZINC000808221642 1317646447 /nfs/dbraw/zinc/64/64/47/1317646447.db2.gz BQHOPKRCVVFZPO-PBHICJAKSA-N 1 0 331.437 3.463 20 10 EGCDRO COCCOCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000808237417 1317649523 /nfs/dbraw/zinc/64/95/23/1317649523.db2.gz PKSBKOHDXORQGX-UHFFFAOYSA-N 1 0 329.396 3.386 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000808426122 1317675707 /nfs/dbraw/zinc/67/57/07/1317675707.db2.gz PAECAOWJDULAHX-GOSISDBHSA-N 1 0 332.419 3.323 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cc(Br)ccc1O ZINC000903440286 1317699921 /nfs/dbraw/zinc/69/99/21/1317699921.db2.gz NBSQGBKEOAUEIL-IGGJQXEISA-N 1 0 348.240 3.464 20 10 EGCDRO Cc1ncc([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000903447637 1317700736 /nfs/dbraw/zinc/70/07/36/1317700736.db2.gz AICBCLJQIYGQAA-CXAGYDPISA-N 1 0 332.517 3.471 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)N(C)C)cc1 ZINC000903449331 1317702000 /nfs/dbraw/zinc/70/20/00/1317702000.db2.gz XIQGHOBEMYCQOM-LEWJYISDSA-N 1 0 338.499 3.491 20 10 EGCDRO COc1cc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC000903448308 1317702314 /nfs/dbraw/zinc/70/23/14/1317702314.db2.gz MXVRJNLPYNEHKJ-BEFAXECRSA-N 1 0 342.487 3.110 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1 ZINC000903448071 1317702487 /nfs/dbraw/zinc/70/24/87/1317702487.db2.gz JCASWCOFWZMHCC-PMACEKPBSA-N 1 0 326.488 3.491 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)c1O ZINC000808682293 1317715443 /nfs/dbraw/zinc/71/54/43/1317715443.db2.gz QJYADVSDRHFVMP-LBPRGKRZSA-N 1 0 333.819 3.428 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1O ZINC000808700209 1317717108 /nfs/dbraw/zinc/71/71/08/1317717108.db2.gz WAYLUMKOBJALRQ-LBPRGKRZSA-N 1 0 348.830 3.069 20 10 EGCDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000858241161 1328719590 /nfs/dbraw/zinc/71/95/90/1328719590.db2.gz LVSITJXDTHFFCT-UHFFFAOYSA-N 1 0 339.483 3.294 20 10 EGCDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000858249929 1328722104 /nfs/dbraw/zinc/72/21/04/1328722104.db2.gz CNXYPOXPVIFDGO-UHFFFAOYSA-N 1 0 329.419 3.164 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2c3ccccc3CCN2C(C)=O)cc1C ZINC000958766873 1317829264 /nfs/dbraw/zinc/82/92/64/1317829264.db2.gz OIKUTEJGWLDEBV-HXUWFJFHSA-N 1 0 338.451 3.239 20 10 EGCDRO c1cncc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000809737757 1317884421 /nfs/dbraw/zinc/88/44/21/1317884421.db2.gz JOEOMUAEONVAAJ-UHFFFAOYSA-N 1 0 337.467 3.298 20 10 EGCDRO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)CC1 ZINC000809755541 1317891742 /nfs/dbraw/zinc/89/17/42/1317891742.db2.gz JXGJMRMKNWMOIW-CYBMUJFWSA-N 1 0 326.843 3.348 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810213289 1317977329 /nfs/dbraw/zinc/97/73/29/1317977329.db2.gz QMAMXADZQCIMLQ-UKRRQHHQSA-N 1 0 349.393 3.485 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810214985 1317977551 /nfs/dbraw/zinc/97/75/51/1317977551.db2.gz NEZJNSZGEQGONH-UKRRQHHQSA-N 1 0 347.377 3.239 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1ccc(C(F)(F)F)cc1O ZINC000810238819 1317983763 /nfs/dbraw/zinc/98/37/63/1317983763.db2.gz NTSOWUSJFPGHHX-GXFFZTMASA-N 1 0 332.366 3.319 20 10 EGCDRO Cc1cc(Cn2cc(C[NH2+]C(C)C)nn2)ccc1N1CCCCC1 ZINC000905813272 1318004132 /nfs/dbraw/zinc/00/41/32/1318004132.db2.gz OOUKHZIQQSERKK-UHFFFAOYSA-N 1 0 327.476 3.123 20 10 EGCDRO COC(=O)CC1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000858357712 1328743943 /nfs/dbraw/zinc/74/39/43/1328743943.db2.gz JYPHSEVTLRUOMA-UHFFFAOYSA-N 1 0 330.472 3.281 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1O ZINC000811510778 1318188690 /nfs/dbraw/zinc/18/86/90/1318188690.db2.gz OPTITMGXLHSGKA-MRXNPFEDSA-N 1 0 348.443 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C=C(C)C)cc1C ZINC000959859997 1318232516 /nfs/dbraw/zinc/23/25/16/1318232516.db2.gz PZYUKXZRHMVLNH-SFHVURJKSA-N 1 0 330.472 3.441 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000812739807 1318446127 /nfs/dbraw/zinc/44/61/27/1318446127.db2.gz DYDWAGQKEQDHQT-ZBFHGGJFSA-N 1 0 341.430 3.348 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c(O)c1 ZINC000812741560 1318447872 /nfs/dbraw/zinc/44/78/72/1318447872.db2.gz VGHLKZALWQHIJP-ZIAGYGMSSA-N 1 0 328.387 3.296 20 10 EGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n(C)c1C ZINC000812756980 1318449439 /nfs/dbraw/zinc/44/94/39/1318449439.db2.gz IJEVBNMAFGNTJU-CYBMUJFWSA-N 1 0 329.444 3.037 20 10 EGCDRO CO[C@@](C)(C[NH2+]Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000812773411 1318450733 /nfs/dbraw/zinc/45/07/33/1318450733.db2.gz VYIIWCJPOFYWAA-HNNXBMFYSA-N 1 0 328.250 3.368 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccncc2)c1 ZINC000813330622 1318535112 /nfs/dbraw/zinc/53/51/12/1318535112.db2.gz BEZXBVJNZLQXED-CYBMUJFWSA-N 1 0 338.411 3.047 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000813857306 1318644677 /nfs/dbraw/zinc/64/46/77/1318644677.db2.gz RYEFDWQPONFXFY-CQSZACIVSA-N 1 0 343.446 3.444 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccsc3)C2)cc1C ZINC001021814434 1318694853 /nfs/dbraw/zinc/69/48/53/1318694853.db2.gz WHYJYKNVVXSEPM-IYBDPMFKSA-N 1 0 330.453 3.116 20 10 EGCDRO O=C(NCc1ccc(O)cc1O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000910944495 1318698025 /nfs/dbraw/zinc/69/80/25/1318698025.db2.gz MXRMJOVWFKBYAY-UHFFFAOYSA-N 1 0 340.423 3.014 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(N(C)C)cc1 ZINC000858535181 1328790953 /nfs/dbraw/zinc/79/09/53/1328790953.db2.gz RFSIQIYPFPRYSX-NSHGMRRFSA-N 1 0 341.455 3.424 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)ccc1N(C)C ZINC000815095064 1318890405 /nfs/dbraw/zinc/89/04/05/1318890405.db2.gz LMUIMJQUTCNNGH-NRFANRHFSA-N 1 0 335.451 3.157 20 10 EGCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000815116429 1318898047 /nfs/dbraw/zinc/89/80/47/1318898047.db2.gz MTNYGQZXGRLTIB-GOSISDBHSA-N 1 0 333.476 3.243 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)cc1 ZINC000815119712 1318899104 /nfs/dbraw/zinc/89/91/04/1318899104.db2.gz FNCKCOVECZCKHV-LJQANCHMSA-N 1 0 345.487 3.386 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000815149075 1318913954 /nfs/dbraw/zinc/91/39/54/1318913954.db2.gz YKYFQCXSVBJTNN-UHFFFAOYSA-N 1 0 326.318 3.147 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000815154559 1318915871 /nfs/dbraw/zinc/91/58/71/1318915871.db2.gz GQWAGGCEPKYJES-KRWDZBQOSA-N 1 0 335.448 3.224 20 10 EGCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000858586256 1328802113 /nfs/dbraw/zinc/80/21/13/1328802113.db2.gz HMJAIDCNYBYQTQ-HZPDHXFCSA-N 1 0 333.476 3.126 20 10 EGCDRO CC[S@](=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815579667 1319019738 /nfs/dbraw/zinc/01/97/38/1319019738.db2.gz SCJZWNWUDMIPPT-MBSDFSHPSA-N 1 0 331.481 3.424 20 10 EGCDRO COC[C@@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815579836 1319021510 /nfs/dbraw/zinc/02/15/10/1319021510.db2.gz WFDJXPMGEVOFGQ-ICSRJNTNSA-N 1 0 329.440 3.053 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000815643091 1319035404 /nfs/dbraw/zinc/03/54/04/1319035404.db2.gz TXJGBCZMFRUBPZ-KGLIPLIRSA-N 1 0 345.418 3.175 20 10 EGCDRO CCc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001022660244 1319047815 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COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000816610618 1319193985 /nfs/dbraw/zinc/19/39/85/1319193985.db2.gz RMXIBXXNOIISCI-GOEBONIOSA-N 1 0 335.444 3.393 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C)cc3)C2)cc1C ZINC001023013298 1319219083 /nfs/dbraw/zinc/21/90/83/1319219083.db2.gz OLLLLOVWKZSAQG-KDURUIRLSA-N 1 0 338.451 3.363 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000816822327 1319227645 /nfs/dbraw/zinc/22/76/45/1319227645.db2.gz HNPSILJLHRVDNO-UHFFFAOYSA-N 1 0 339.483 3.129 20 10 EGCDRO COc1ccc(OC)c([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817938797 1319467003 /nfs/dbraw/zinc/46/70/03/1319467003.db2.gz SMNVXGLFPJVFRW-AUUYWEPGSA-N 1 0 343.471 3.120 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(O)c1C ZINC000817939974 1319468905 /nfs/dbraw/zinc/46/89/05/1319468905.db2.gz DOOWOVMHZDCFKK-HNAYVOBHSA-N 1 0 327.472 3.426 20 10 EGCDRO C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817954845 1319476672 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C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000838560201 1320791187 /nfs/dbraw/zinc/79/11/87/1320791187.db2.gz UNANWEFMLMLYCK-HNNXBMFYSA-N 1 0 334.508 3.233 20 10 EGCDRO Fc1cc(C[NH2+]C2Cc3ccccc3C2)cc(F)c1N1CCOCC1 ZINC000839146366 1320880281 /nfs/dbraw/zinc/88/02/81/1320880281.db2.gz FLZJBTUNIPWJQL-UHFFFAOYSA-N 1 0 344.405 3.058 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000839146525 1320880298 /nfs/dbraw/zinc/88/02/98/1320880298.db2.gz KTEJSZSAAJIBSP-UHFFFAOYSA-N 1 0 348.393 3.100 20 10 EGCDRO Cc1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c(C)o1 ZINC000839146611 1320880380 /nfs/dbraw/zinc/88/03/80/1320880380.db2.gz OHEWDWFTEFIJQH-UHFFFAOYSA-N 1 0 336.382 3.301 20 10 EGCDRO CC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000840875369 1321167152 /nfs/dbraw/zinc/16/71/52/1321167152.db2.gz DLAYJTDWBNNJIK-INIZCTEOSA-N 1 0 326.506 3.007 20 10 EGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840912650 1321176327 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3.363 20 10 EGCDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000840975054 1321192656 /nfs/dbraw/zinc/19/26/56/1321192656.db2.gz TZJPOAKYRDXSRN-HNNXBMFYSA-N 1 0 345.512 3.387 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]C/C=C/c2ccc(F)cc2F)cc1 ZINC000841046222 1321209189 /nfs/dbraw/zinc/20/91/89/1321209189.db2.gz YBWVVYOLIOSPSH-GNAXCBTBSA-N 1 0 331.410 3.334 20 10 EGCDRO COc1cc(O)c(CN2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)cc1OC ZINC000841046475 1321209592 /nfs/dbraw/zinc/20/95/92/1321209592.db2.gz BQQTUJQRYJCKNT-GFCCVEGCSA-N 1 0 346.402 3.047 20 10 EGCDRO CCN(C(=O)Nc1ccc(N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000841295574 1321247583 /nfs/dbraw/zinc/24/75/83/1321247583.db2.gz BQPFWDZSOCQFFS-IBGZPJMESA-N 1 0 338.455 3.397 20 10 EGCDRO C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841307940 1321252441 /nfs/dbraw/zinc/25/24/41/1321252441.db2.gz LYQMHXSUVOSBMT-UHFFFAOYSA-N 1 0 336.439 3.104 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)Nc2ccc(C[NH3+])cc2)cc1F ZINC000841326494 1321257156 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3.126 20 10 EGCDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843053196 1321461658 /nfs/dbraw/zinc/46/16/58/1321461658.db2.gz YZWJULSYCOSYFW-OLZOCXBDSA-N 1 0 329.410 3.331 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000843051276 1321462459 /nfs/dbraw/zinc/46/24/59/1321462459.db2.gz GTJBZFUTAPTQJA-BXUZGUMPSA-N 1 0 327.266 3.022 20 10 EGCDRO COc1cc(OC)c(CN2CCCc3cc(C[NH3+])ccc32)c(OC)c1 ZINC000843057744 1321464079 /nfs/dbraw/zinc/46/40/79/1321464079.db2.gz STYFNNBJJBKNBX-UHFFFAOYSA-N 1 0 342.439 3.124 20 10 EGCDRO CC[NH+](CC)Cc1ccc(-c2nc(Cc3ccc(N)cc3)no2)o1 ZINC000843160677 1321481128 /nfs/dbraw/zinc/48/11/28/1321481128.db2.gz ZQHALSZLPGFWAN-UHFFFAOYSA-N 1 0 326.400 3.344 20 10 EGCDRO CC(C)CO[C@@H](C)c1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843350389 1321504095 /nfs/dbraw/zinc/50/40/95/1321504095.db2.gz OEIXCNTVGNXLEQ-AWEZNQCLSA-N 1 0 344.459 3.215 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]Cc2ccc(CO)cc2)c1O ZINC000843420020 1321515567 /nfs/dbraw/zinc/51/55/67/1321515567.db2.gz YTSMWKUCVZYVCY-UHFFFAOYSA-N 1 0 336.229 3.245 20 10 EGCDRO CCOc1ccc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c(O)c1 ZINC000843422899 1321516630 /nfs/dbraw/zinc/51/66/30/1321516630.db2.gz YIVZYVHLOPROQV-FQEVSTJZSA-N 1 0 327.424 3.057 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000843487422 1321522539 /nfs/dbraw/zinc/52/25/39/1321522539.db2.gz FCFNSFGIWOCNEE-HNAYVOBHSA-N 1 0 338.451 3.480 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000844902852 1321656325 /nfs/dbraw/zinc/65/63/25/1321656325.db2.gz URXABLPTFBEXDP-BBRMVZONSA-N 1 0 339.277 3.024 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc4cnccc4o3)C2)cc1 ZINC000845985411 1321761622 /nfs/dbraw/zinc/76/16/22/1321761622.db2.gz CEMSHCPZGNUFEN-OAHLLOKOSA-N 1 0 337.423 3.453 20 10 EGCDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846028161 1321762987 /nfs/dbraw/zinc/76/29/87/1321762987.db2.gz XTWZKPMPUZVTDW-INIZCTEOSA-N 1 0 336.451 3.052 20 10 EGCDRO Fc1cc(C[NH+]2CCC3(CC3(F)F)CC2)ccc1N1CCOCC1 ZINC000846054667 1321765173 /nfs/dbraw/zinc/76/51/73/1321765173.db2.gz ORBQRWGSFTWSIQ-UHFFFAOYSA-N 1 0 340.389 3.284 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1O ZINC000846142489 1321770722 /nfs/dbraw/zinc/77/07/22/1321770722.db2.gz UNFPUDPKRYJXKY-CYBMUJFWSA-N 1 0 328.412 3.435 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)CC2CCCCC2)c1O ZINC000846150606 1321772111 /nfs/dbraw/zinc/77/21/11/1321772111.db2.gz KBDHLNJYQZQDOE-CQSZACIVSA-N 1 0 334.460 3.138 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)c1O ZINC000846153780 1321772306 /nfs/dbraw/zinc/77/23/06/1321772306.db2.gz IIGPSQLFSMNHCY-PBHICJAKSA-N 1 0 340.423 3.165 20 10 EGCDRO CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(-c2nccs2)cc1 ZINC000846996589 1321831897 /nfs/dbraw/zinc/83/18/97/1321831897.db2.gz SWKFILNCTJJFGO-CALCHBBNSA-N 1 0 329.469 3.110 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847443850 1321871767 /nfs/dbraw/zinc/87/17/67/1321871767.db2.gz FGIOJYUIGIOIAP-ZWKOTPCHSA-N 1 0 345.487 3.331 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1O ZINC000848894954 1322034128 /nfs/dbraw/zinc/03/41/28/1322034128.db2.gz IUAQOSCJNQIRDV-UHFFFAOYSA-N 1 0 342.439 3.197 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1O ZINC000848904620 1322039897 /nfs/dbraw/zinc/03/98/97/1322039897.db2.gz YNFWTFLLSFTTTL-UHFFFAOYSA-N 1 0 340.471 3.262 20 10 EGCDRO CCc1cccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1O ZINC000848903300 1322040394 /nfs/dbraw/zinc/04/03/94/1322040394.db2.gz PJXHLHCUWBYAAX-UHFFFAOYSA-N 1 0 326.440 3.270 20 10 EGCDRO CCc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000848904542 1322040531 /nfs/dbraw/zinc/04/05/31/1322040531.db2.gz WXEWHCLGEXWUCB-OAHLLOKOSA-N 1 0 347.480 3.215 20 10 EGCDRO COc1ccc(NC(=[NH2+])NCc2ccc(N(C)C)cc2C)cc1OC ZINC000849101629 1322079245 /nfs/dbraw/zinc/07/92/45/1322079245.db2.gz VSSVZLSCLXZDAY-UHFFFAOYSA-N 1 0 342.443 3.215 20 10 EGCDRO CN(C)c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000849350263 1322116781 /nfs/dbraw/zinc/11/67/81/1322116781.db2.gz WHJWZTJWRQBXRV-WOJBJXKFSA-N 1 0 327.447 3.127 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000850010922 1322180495 /nfs/dbraw/zinc/18/04/95/1322180495.db2.gz JDDOZKSRZWRXBW-HXUWFJFHSA-N 1 0 326.440 3.210 20 10 EGCDRO COc1cc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850186181 1322203649 /nfs/dbraw/zinc/20/36/49/1322203649.db2.gz OPAIILJQWJLHDN-ACJLOTCBSA-N 1 0 332.488 3.271 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](OC)C3CCCC3)CC2)cc1 ZINC000850401062 1322239677 /nfs/dbraw/zinc/23/96/77/1322239677.db2.gz UDEYFRRUTHSFNK-FQEVSTJZSA-N 1 0 332.488 3.459 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)CC1 ZINC000850405973 1322240573 /nfs/dbraw/zinc/24/05/73/1322240573.db2.gz MEFHZMSSONFYLH-UHFFFAOYSA-N 1 0 335.451 3.419 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3F)cc2)CC1 ZINC000850405713 1322240880 /nfs/dbraw/zinc/24/08/80/1322240880.db2.gz ALHKEXJRCFEPPX-UHFFFAOYSA-N 1 0 332.394 3.216 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(F)c1 ZINC000850406343 1322240999 /nfs/dbraw/zinc/24/09/99/1322240999.db2.gz CIHIJWQEVRCHMJ-UHFFFAOYSA-N 1 0 344.430 3.085 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[NH+](CC)CC)cc1 ZINC000921118443 1322259342 /nfs/dbraw/zinc/25/93/42/1322259342.db2.gz SRYAGLUIELOUKC-INIZCTEOSA-N 1 0 334.508 3.062 20 10 EGCDRO COc1ccc(N2C[C@H]([NH2+][C@@H](C)c3cc(C)ccc3O)CC2=O)cc1 ZINC000850513881 1322260144 /nfs/dbraw/zinc/26/01/44/1322260144.db2.gz HRSBGUMGZGPONH-LSDHHAIUSA-N 1 0 340.423 3.165 20 10 EGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1OC ZINC000850568401 1322269605 /nfs/dbraw/zinc/26/96/05/1322269605.db2.gz WXBRBCONRLVPBQ-WOJBJXKFSA-N 1 0 346.515 3.331 20 10 EGCDRO c1ccc(CN2CCC([NH2+]Cc3ccc4c(c3)CCCO4)CC2)nc1 ZINC000921547412 1322348440 /nfs/dbraw/zinc/34/84/40/1322348440.db2.gz QHRULYVOJSJBIQ-UHFFFAOYSA-N 1 0 337.467 3.161 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NCc1cccs1 ZINC000922211136 1322479454 /nfs/dbraw/zinc/47/94/54/1322479454.db2.gz UYZOKYIRQZKCBL-KRWDZBQOSA-N 1 0 344.480 3.258 20 10 EGCDRO CC(C)CNC(=O)CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000851732745 1323075347 /nfs/dbraw/zinc/07/53/47/1323075347.db2.gz XFOGFIYWQLSWHF-UHFFFAOYSA-N 1 0 331.504 3.269 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1(Cl)CC1 ZINC000924760181 1323148286 /nfs/dbraw/zinc/14/82/86/1323148286.db2.gz OPZFTYHXTSXOLK-GFCCVEGCSA-N 1 0 326.843 3.036 20 10 EGCDRO CC1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)CC1 ZINC000853099380 1323281165 /nfs/dbraw/zinc/28/11/65/1323281165.db2.gz RNUAVYMWWDPRBC-HXUWFJFHSA-N 1 0 325.456 3.141 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cccs3)C2)cc1C ZINC001026659076 1324957842 /nfs/dbraw/zinc/95/78/42/1324957842.db2.gz PDKOFGNHQPMOKJ-MRXNPFEDSA-N 1 0 344.480 3.317 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CC(C)(C)C)C2)cc1C ZINC001026686791 1324976342 /nfs/dbraw/zinc/97/63/42/1324976342.db2.gz CHURGIDAJQEDRK-KRWDZBQOSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C)C3CCC3)C2)cc1C ZINC001026912192 1325074527 /nfs/dbraw/zinc/07/45/27/1325074527.db2.gz NGNUMYGGSAOPNI-FUHWJXTLSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(F)CCCC3)C2)cc1C ZINC001026930822 1325089045 /nfs/dbraw/zinc/08/90/45/1325089045.db2.gz UTLIQUXONVREMH-QGZVFWFLSA-N 1 0 348.462 3.224 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000857005669 1325553130 /nfs/dbraw/zinc/55/31/30/1325553130.db2.gz OFIMNFNPWWZACX-QGZVFWFLSA-N 1 0 331.504 3.269 20 10 EGCDRO CC(=O)N1CC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000857084632 1325570750 /nfs/dbraw/zinc/57/07/50/1325570750.db2.gz YVMXZDKSVKHGNO-UYAOXDASSA-N 1 0 338.451 3.277 20 10 EGCDRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000927082463 1327850837 /nfs/dbraw/zinc/85/08/37/1327850837.db2.gz AWJWHFZDYSGSJK-RDJZCZTQSA-N 1 0 336.451 3.272 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)cc1C ZINC000966907310 1328466996 /nfs/dbraw/zinc/46/69/96/1328466996.db2.gz TZHZAJFLOREMCV-QZTJIDSGSA-N 1 0 328.456 3.050 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000862251041 1329471231 /nfs/dbraw/zinc/47/12/31/1329471231.db2.gz ZCUGXGITJFKKCL-VXGBXAGGSA-N 1 0 326.234 3.013 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1n1ccnc1 ZINC000862251492 1329471343 /nfs/dbraw/zinc/47/13/43/1329471343.db2.gz FWXJAIKEFDIXRU-FZKQIMNGSA-N 1 0 334.414 3.310 20 10 EGCDRO C[NH+](C)Cc1ccnc(NCc2c(O)cccc2Br)c1 ZINC000862302746 1329474719 /nfs/dbraw/zinc/47/47/19/1329474719.db2.gz APJDHFBXDROLLU-UHFFFAOYSA-N 1 0 336.233 3.223 20 10 EGCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(O)cccc1Br ZINC000862365294 1329478303 /nfs/dbraw/zinc/47/83/03/1329478303.db2.gz ONDVBZIHRQARQU-QWHCGFSZSA-N 1 0 339.277 3.213 20 10 EGCDRO Oc1cccc(Br)c1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000862375542 1329480002 /nfs/dbraw/zinc/48/00/02/1329480002.db2.gz ANIZKZSSQGAOOF-CQSZACIVSA-N 1 0 326.234 3.034 20 10 EGCDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Br)C1 ZINC000862390153 1329481667 /nfs/dbraw/zinc/48/16/67/1329481667.db2.gz BJNCFOJAVDGWDU-GFCCVEGCSA-N 1 0 327.266 3.069 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000862396028 1329482311 /nfs/dbraw/zinc/48/23/11/1329482311.db2.gz ZJYYJWMZSIJACC-CZUORRHYSA-N 1 0 348.240 3.463 20 10 EGCDRO Cc1cc(CNC(=O)CCc2cncn2C)c(C)n1-c1ccccc1 ZINC000863164693 1329531697 /nfs/dbraw/zinc/53/16/97/1329531697.db2.gz SPLCVDSANSUCJQ-UHFFFAOYSA-N 1 0 336.439 3.077 20 10 EGCDRO COc1cccc(Nc2ccc(NC[C@@H](O)C[N@H+](C)C3CC3)cc2)c1 ZINC000863567732 1329563845 /nfs/dbraw/zinc/56/38/45/1329563845.db2.gz FZZWRHWNSQHFFV-LJQANCHMSA-N 1 0 341.455 3.306 20 10 EGCDRO COCCc1ncc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000865603886 1329718946 /nfs/dbraw/zinc/71/89/46/1329718946.db2.gz ONJRAMXMYSCMOK-OAHLLOKOSA-N 1 0 347.528 3.427 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1O ZINC000865731679 1329733541 /nfs/dbraw/zinc/73/35/41/1329733541.db2.gz WDIYWZFNKGMQQU-NSHDSACASA-N 1 0 328.368 3.489 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000936036238 1330108383 /nfs/dbraw/zinc/10/83/83/1330108383.db2.gz DFILNUFTGAMPIW-MRXNPFEDSA-N 1 0 349.438 3.208 20 10 EGCDRO CC(C)(C)[NH2+]CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000936038622 1330108527 /nfs/dbraw/zinc/10/85/27/1330108527.db2.gz WKJDSYIIPCLMGA-UHFFFAOYSA-N 1 0 337.427 3.113 20 10 EGCDRO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cc(Cl)ccc1O ZINC000866431596 1330111315 /nfs/dbraw/zinc/11/13/15/1330111315.db2.gz XOZDJBIYCJDOMU-MRVPVSSYSA-N 1 0 344.640 3.392 20 10 EGCDRO CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC000948073477 1333365722 /nfs/dbraw/zinc/36/57/22/1333365722.db2.gz KLXHMJKRNFYPCJ-XJKSGUPXSA-N 1 0 345.447 3.232 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C2)cc1C ZINC000968336383 1335893315 /nfs/dbraw/zinc/89/33/15/1335893315.db2.gz KEYATNIBIMUPKX-MRXNPFEDSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C)CC2)cc1C ZINC001034588065 1342633385 /nfs/dbraw/zinc/63/33/85/1342633385.db2.gz OHPCWECOBQNMQX-XDKFSHSGSA-N 1 0 330.472 3.177 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001035025972 1342884487 /nfs/dbraw/zinc/88/44/87/1342884487.db2.gz QNWHCPMKIUJIIG-YDZRNGNQSA-N 1 0 342.483 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)C2CC2)cc1C ZINC001036482978 1343508531 /nfs/dbraw/zinc/50/85/31/1343508531.db2.gz CPBCYWZJHLITBK-KSSFIOAISA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2ccc[nH]2)cc1C ZINC001036945454 1343886693 /nfs/dbraw/zinc/88/66/93/1343886693.db2.gz YSKYBKXRVQGJPN-SJORKVTESA-N 1 0 341.455 3.020 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(C)CCC3)C[C@@H]2C)cc1C ZINC001048341662 1347524009 /nfs/dbraw/zinc/52/40/09/1347524009.db2.gz BKQHFSKWDCORLL-FUHWJXTLSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC3CCC3)C[C@H]2C)cc1C ZINC001054521498 1349382045 /nfs/dbraw/zinc/38/20/45/1349382045.db2.gz KAGSCQOLJCHQDV-CRAIPNDOSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(C)=C3CCC3)C[C@H]2C)cc1C ZINC001054633628 1349423000 /nfs/dbraw/zinc/42/30/00/1349423000.db2.gz AJCGOOXIHNCOEI-BEFAXECRSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(C)CC3)CC[C@@H]2C)cc1C ZINC001072291486 1355223259 /nfs/dbraw/zinc/22/32/59/1355223259.db2.gz BGAXEAWKPZTIOH-MAUKXSAKSA-N 1 0 344.499 3.378 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001183561024 1387319134 /nfs/dbraw/zinc/31/91/34/1387319134.db2.gz HMYCYWGWONZPNC-SFHVURJKSA-N 1 0 342.483 3.377 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccsc3)C2)cc1C ZINC001086024420 1358970486 /nfs/dbraw/zinc/97/04/86/1358970486.db2.gz SBDWLMOREWOKOK-WOVMCDHWSA-N 1 0 344.480 3.363 20 10 EGCDRO CC[C@]1(C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086239496 1359036651 /nfs/dbraw/zinc/03/66/51/1359036651.db2.gz GFJYTWGCIRYTAL-BMQTXXJKSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCC3(C)C)C2)cc1C ZINC001086453314 1359101180 /nfs/dbraw/zinc/10/11/80/1359101180.db2.gz LWCKYMHNWWLGEB-BZSNNMDCSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[C@@H](C)C3)C2)cc1C ZINC001086496333 1359119899 /nfs/dbraw/zinc/11/98/99/1359119899.db2.gz SNMWTORQCNDEDT-DQEVTTJGSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[C@@H]3C(C)C)C2)cc1C ZINC001086518136 1359126270 /nfs/dbraw/zinc/12/62/70/1359126270.db2.gz HNVZTCQVRSBLQZ-MKXGPGLRSA-N 1 0 344.499 3.280 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[C@@H]2C)cc1C ZINC001087199503 1359318141 /nfs/dbraw/zinc/31/81/41/1359318141.db2.gz MPWZKPDTEXSGBT-PDWMJMLSSA-N 1 0 344.499 3.376 20 10 EGCDRO CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CC(C)C ZINC001087844271 1359676956 /nfs/dbraw/zinc/67/69/56/1359676956.db2.gz QIFYTWRPNBAPPV-JKSUJKDBSA-N 1 0 345.447 3.088 20 10 EGCDRO CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001089263243 1360291011 /nfs/dbraw/zinc/29/10/11/1360291011.db2.gz QXAVABXOVBTJQF-INIZCTEOSA-N 1 0 345.447 3.184 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(C)C)C3)cc1C ZINC001094862297 1361928371 /nfs/dbraw/zinc/92/83/71/1361928371.db2.gz GVSGCRRNZGUFBY-BZSNNMDCSA-N 1 0 330.472 3.129 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC3CC3)C2)cc1C ZINC001185077302 1387612467 /nfs/dbraw/zinc/61/24/67/1387612467.db2.gz AEYXSJXGHQNXMO-GOSISDBHSA-N 1 0 330.472 3.274 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC001324993550 1387873247 /nfs/dbraw/zinc/87/32/47/1387873247.db2.gz RYGXJPHWVZLRJY-HXUWFJFHSA-N 1 0 330.472 3.057 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)c3cnn(C)c3C)cc2)CC1 ZINC001325191009 1387912503 /nfs/dbraw/zinc/91/25/03/1387912503.db2.gz BZFQWXFDJMQYQI-HNNXBMFYSA-N 1 0 342.487 3.195 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001325316774 1387932874 /nfs/dbraw/zinc/93/28/74/1387932874.db2.gz UWQVYENKGTUBER-CZUORRHYSA-N 1 0 345.464 3.442 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001325339960 1387941037 /nfs/dbraw/zinc/94/10/37/1387941037.db2.gz MESQAUNSHDYMAJ-HOCLYGCPSA-N 1 0 342.439 3.459 20 10 EGCDRO C[NH+]1CCN(c2cccc(NC(=S)Nc3ccccc3F)c2)CC1 ZINC001195773699 1368487941 /nfs/dbraw/zinc/48/79/41/1368487941.db2.gz ZAPKPPJSPHGXHD-UHFFFAOYSA-N 1 0 344.459 3.386 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)[C@H]1c1ccccc1 ZINC001203589066 1370180643 /nfs/dbraw/zinc/18/06/43/1370180643.db2.gz CVGTYHQJQFOCGY-AEFFLSMTSA-N 1 0 341.407 3.137 20 10 EGCDRO COc1cccc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1O ZINC001203589742 1370180688 /nfs/dbraw/zinc/18/06/88/1370180688.db2.gz MUFKUXAORBGDPE-IYBDPMFKSA-N 1 0 344.480 3.026 20 10 EGCDRO COc1cccc(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1O ZINC001203596572 1370182751 /nfs/dbraw/zinc/18/27/51/1370182751.db2.gz JDESUKFBZQFTQA-INIZCTEOSA-N 1 0 326.440 3.280 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC001203601983 1370183879 /nfs/dbraw/zinc/18/38/79/1370183879.db2.gz VDFRKTDEASTTPP-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC001203603403 1370184418 /nfs/dbraw/zinc/18/44/18/1370184418.db2.gz NNYIUXBLSIYUFC-LJQANCHMSA-N 1 0 335.444 3.346 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001203609511 1370186647 /nfs/dbraw/zinc/18/66/47/1370186647.db2.gz WBXKEHIOXUMORC-GOSISDBHSA-N 1 0 326.440 3.280 20 10 EGCDRO CCOc1cccc(C[NH+](CCOC(C)C)CCOC(C)C)c1O ZINC001203609215 1370187052 /nfs/dbraw/zinc/18/70/52/1370187052.db2.gz LRUPTDKLNBUYNE-UHFFFAOYSA-N 1 0 339.476 3.443 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c1O ZINC001203613630 1370188156 /nfs/dbraw/zinc/18/81/56/1370188156.db2.gz CJVZSFRRUKMQGG-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)cc2O)[C@H]1c1ccccc1 ZINC001203621410 1370190192 /nfs/dbraw/zinc/19/01/92/1370190192.db2.gz DSGVBKFDEHKMBA-MJGOQNOKSA-N 1 0 341.407 3.137 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c(O)c1 ZINC001203635136 1370195334 /nfs/dbraw/zinc/19/53/34/1370195334.db2.gz LCMKBTSSSGKPTC-QGZVFWFLSA-N 1 0 328.412 3.148 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCC[C@@]1(C)O ZINC001203636568 1370196165 /nfs/dbraw/zinc/19/61/65/1370196165.db2.gz XIQZSRNEZFTOAW-XHDPSFHLSA-N 1 0 328.250 3.138 20 10 EGCDRO C[N@H+](C1CC1)C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC001203650597 1370201472 /nfs/dbraw/zinc/20/14/72/1370201472.db2.gz XKDGMMXBWWHLID-UHFFFAOYSA-N 1 0 339.277 3.213 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001203659441 1370205602 /nfs/dbraw/zinc/20/56/02/1370205602.db2.gz VMFCZYJEPOICKN-UHFFFAOYSA-N 1 0 329.831 3.314 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]21 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CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2cnn(CC)c21 ZINC001203932219 1370319333 /nfs/dbraw/zinc/31/93/33/1370319333.db2.gz WSEGKSSOHRJVRL-GOSISDBHSA-N 1 0 342.487 3.105 20 10 EGCDRO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2cn(CC)nc21 ZINC001203933776 1370320443 /nfs/dbraw/zinc/32/04/43/1370320443.db2.gz QEOKVHXTHQQZDF-GOSISDBHSA-N 1 0 342.487 3.105 20 10 EGCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203936105 1370322197 /nfs/dbraw/zinc/32/21/97/1370322197.db2.gz JBNNNTQBVHANIK-ZBFHGGJFSA-N 1 0 333.476 3.240 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+]2Cc3ccnn3C[C@@H](COC)C2)cc1 ZINC001203939896 1370323474 /nfs/dbraw/zinc/32/34/74/1370323474.db2.gz YAQZDYVEXWQNGP-SFHVURJKSA-N 1 0 342.487 3.008 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCN(CC)C3=O)CC2)cc1 ZINC001203942808 1370324262 /nfs/dbraw/zinc/32/42/62/1370324262.db2.gz RTWYQYZGJKVNHR-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)NC(C)C)C2)cc1 ZINC001203945456 1370325691 /nfs/dbraw/zinc/32/56/91/1370325691.db2.gz MALXCMICNGGPGA-SFHVURJKSA-N 1 0 346.519 3.205 20 10 EGCDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204241148 1370418878 /nfs/dbraw/zinc/41/88/78/1370418878.db2.gz XANPATGIALIAHC-OAHLLOKOSA-N 1 0 326.440 3.291 20 10 EGCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204241168 1370418992 /nfs/dbraw/zinc/41/89/92/1370418992.db2.gz YQGWSBFJVBHNLX-IBGZPJMESA-N 1 0 325.456 3.006 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)c2ccccc21 ZINC001204241980 1370419830 /nfs/dbraw/zinc/41/98/30/1370419830.db2.gz LICNWIYHRZJKAD-INIZCTEOSA-N 1 0 327.447 3.134 20 10 EGCDRO Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272841 1370427692 /nfs/dbraw/zinc/42/76/92/1370427692.db2.gz TZOHOSUWZBMBKU-UHFFFAOYSA-N 1 0 332.831 3.382 20 10 EGCDRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204271689 1370427895 /nfs/dbraw/zinc/42/78/95/1370427895.db2.gz BQDNYBFLQHJSCV-UHFFFAOYSA-N 1 0 329.371 3.332 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2ccc(O)cc2O)C1 ZINC001204276246 1370428902 /nfs/dbraw/zinc/42/89/02/1370428902.db2.gz IDIRNSNNVDUHBB-IBGZPJMESA-N 1 0 348.443 3.073 20 10 EGCDRO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1)N1CCCC1 ZINC001204327519 1370445269 /nfs/dbraw/zinc/44/52/69/1370445269.db2.gz WWJIRQBTOGGOKA-FQEVSTJZSA-N 1 0 341.499 3.264 20 10 EGCDRO COc1cc(C[NH+]2CCC(COc3ccccc3)CC2)cc(O)c1O ZINC001204341927 1370448549 /nfs/dbraw/zinc/44/85/49/1370448549.db2.gz HODUVMMADQMBAV-UHFFFAOYSA-N 1 0 343.423 3.397 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C)C2)cc(O)c1O ZINC001204343649 1370449037 /nfs/dbraw/zinc/44/90/37/1370449037.db2.gz VENNCSWGWNSRHY-INIZCTEOSA-N 1 0 343.423 3.458 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001116047839 1370826901 /nfs/dbraw/zinc/82/69/01/1370826901.db2.gz XHCVPWYLVGKRBB-MOPGFXCFSA-N 1 0 346.519 3.157 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205912848 1370908360 /nfs/dbraw/zinc/90/83/60/1370908360.db2.gz DBIWQEHHVBAZAR-NWDGAFQWSA-N 1 0 327.266 3.022 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC001116564894 1370937460 /nfs/dbraw/zinc/93/74/60/1370937460.db2.gz AMLSOSALOFIBHM-UKRRQHHQSA-N 1 0 335.411 3.014 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206025815 1370942210 /nfs/dbraw/zinc/94/22/10/1370942210.db2.gz PJOMKXCHGXGBET-QWHCGFSZSA-N 1 0 341.293 3.270 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)cc1Br ZINC001206338215 1371026930 /nfs/dbraw/zinc/02/69/30/1371026930.db2.gz YGLNQOGJONYVEU-MRXNPFEDSA-N 1 0 341.293 3.414 20 10 EGCDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001117596214 1371055398 /nfs/dbraw/zinc/05/53/98/1371055398.db2.gz PQRWMUINERTTHX-HSZRJFAPSA-N 1 0 328.481 3.314 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccn3C3CC3)cc2F)CC1 ZINC001117784777 1371083431 /nfs/dbraw/zinc/08/34/31/1371083431.db2.gz XVKUXVQKSNQNLQ-UHFFFAOYSA-N 1 0 343.446 3.213 20 10 EGCDRO COc1cc([O-])c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC001206597371 1371104744 /nfs/dbraw/zinc/10/47/44/1371104744.db2.gz BHIVDDWIVXTSFQ-CQSZACIVSA-N 1 0 326.868 3.407 20 10 EGCDRO CCOc1cc(C)ccc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001120034661 1371464159 /nfs/dbraw/zinc/46/41/59/1371464159.db2.gz GJJHUWDXCXFDST-UHFFFAOYSA-N 1 0 331.412 3.406 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCC(F)F)C2)cc1C ZINC001208581454 1371826500 /nfs/dbraw/zinc/82/65/00/1371826500.db2.gz ZCGDOLFCKRTURD-HNNXBMFYSA-N 1 0 340.414 3.130 20 10 EGCDRO Cc1cc(N)[nH+]cc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001209966088 1372243424 /nfs/dbraw/zinc/24/34/24/1372243424.db2.gz SCNNAFIANSDPOU-UHFFFAOYSA-N 1 0 329.359 3.491 20 10 EGCDRO Oc1cc(Cl)c(F)cc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210383027 1372339142 /nfs/dbraw/zinc/33/91/42/1372339142.db2.gz JJYGDNHXRGFMSA-OAHLLOKOSA-N 1 0 334.822 3.201 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]C[C@H]3F)n2)cc1 ZINC001211406215 1372552939 /nfs/dbraw/zinc/55/29/39/1372552939.db2.gz PRCPOAPMQZMXRK-JKSUJKDBSA-N 1 0 326.375 3.169 20 10 EGCDRO C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC001326474332 1388206750 /nfs/dbraw/zinc/20/67/50/1388206750.db2.gz VEZRPQZICFTPTD-BDAKNGLRSA-N 1 0 335.673 3.457 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc([C@@H]3C[C@H]3C)o2)cc1C ZINC001127107990 1373087456 /nfs/dbraw/zinc/08/74/56/1373087456.db2.gz WROOYWDPRPPIOA-CZUORRHYSA-N 1 0 342.439 3.240 20 10 EGCDRO CC[C@H]1CCC[C@]1(C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130261367 1373480511 /nfs/dbraw/zinc/48/05/11/1373480511.db2.gz AINSLLPKUMDLBS-PXNSSMCTSA-N 1 0 332.488 3.426 20 10 EGCDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001218031500 1373543391 /nfs/dbraw/zinc/54/33/91/1373543391.db2.gz PDNAEGCUCXQGLX-DJJJIMSYSA-N 1 0 335.403 3.229 20 10 EGCDRO C[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC001218318332 1373595244 /nfs/dbraw/zinc/59/52/44/1373595244.db2.gz TUGPZLQLDHIIML-CQSZACIVSA-N 1 0 327.384 3.144 20 10 EGCDRO C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1cccc(N(C)C)c1 ZINC001218353275 1373601515 /nfs/dbraw/zinc/60/15/15/1373601515.db2.gz RGHVXWUSYFBFBC-INIZCTEOSA-N 1 0 325.456 3.302 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[C@]12CCC[NH2+]C2 ZINC001222197757 1373819845 /nfs/dbraw/zinc/81/98/45/1373819845.db2.gz LNEJMICTFRVHTF-NRFANRHFSA-N 1 0 338.451 3.299 20 10 EGCDRO C/C=C(/C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001225623659 1375134134 /nfs/dbraw/zinc/13/41/34/1375134134.db2.gz WCXIGNCDFWJMIM-OWSOAGIPSA-N 1 0 330.472 3.487 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(Cl)c(C)c2)cc1C ZINC001133248519 1375867691 /nfs/dbraw/zinc/86/76/91/1375867691.db2.gz GURGYMQQFMEZQL-UHFFFAOYSA-N 1 0 346.858 3.485 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cccn2C)cc1C ZINC001133754456 1376191163 /nfs/dbraw/zinc/19/11/63/1376191163.db2.gz MJKCOFUKVYKWCX-HZPDHXFCSA-N 1 0 343.471 3.029 20 10 EGCDRO COc1ccc(Br)c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1O ZINC001231548683 1376262278 /nfs/dbraw/zinc/26/22/78/1376262278.db2.gz WXSFCXGWDKFVKX-GHMZBOCLSA-N 1 0 326.234 3.395 20 10 EGCDRO Cc1cccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1O ZINC001231592266 1376273660 /nfs/dbraw/zinc/27/36/60/1376273660.db2.gz LNNXOQKQXSLMQJ-MRXNPFEDSA-N 1 0 342.487 3.314 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)cc1Cl ZINC001231868469 1376331720 /nfs/dbraw/zinc/33/17/20/1376331720.db2.gz BXZAZIAIPWYIHE-CQSZACIVSA-N 1 0 336.863 3.044 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)cc1Cl ZINC001231871718 1376333516 /nfs/dbraw/zinc/33/35/16/1376333516.db2.gz PVICUTUFQAVKTM-UHFFFAOYSA-N 1 0 338.879 3.481 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)cc1Cl ZINC001231871280 1376333814 /nfs/dbraw/zinc/33/38/14/1376333814.db2.gz ISIXPWZTBUESEJ-OAHLLOKOSA-N 1 0 347.846 3.496 20 10 EGCDRO C[N@H+](Cc1cc2ccncc2[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001232093694 1376398051 /nfs/dbraw/zinc/39/80/51/1376398051.db2.gz YGEHDJCHHOQAGC-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)c1 ZINC001232263114 1376426091 /nfs/dbraw/zinc/42/60/91/1376426091.db2.gz HLLIKVKZAFPUNB-AWEZNQCLSA-N 1 0 348.830 3.498 20 10 EGCDRO CN1CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC001233194438 1376583535 /nfs/dbraw/zinc/58/35/35/1376583535.db2.gz TYWCQXLGGGKBPT-UHFFFAOYSA-N 1 0 349.272 3.445 20 10 EGCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC001233286160 1376604845 /nfs/dbraw/zinc/60/48/45/1376604845.db2.gz HXETWHPUSYHJPL-UHFFFAOYSA-N 1 0 330.472 3.180 20 10 EGCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233291409 1376606108 /nfs/dbraw/zinc/60/61/08/1376606108.db2.gz ZWFLCIKNCFFIKM-GFCCVEGCSA-N 1 0 341.835 3.219 20 10 EGCDRO COc1cc(Cl)cc(CN2CCN(c3cc[nH+]c(C)c3)CC2)c1O ZINC001233291322 1376606181 /nfs/dbraw/zinc/60/61/81/1376606181.db2.gz VWEUQLWJPCKHJN-UHFFFAOYSA-N 1 0 347.846 3.080 20 10 EGCDRO Oc1ccc(F)c(F)c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001233334969 1376619361 /nfs/dbraw/zinc/61/93/61/1376619361.db2.gz BRPASQIPPVZNQZ-QAPCUYQASA-N 1 0 344.405 3.377 20 10 EGCDRO Oc1c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cccc1OC(F)(F)F ZINC001233737074 1376706229 /nfs/dbraw/zinc/70/62/29/1376706229.db2.gz VKSPFJUTUKTYMZ-HNNXBMFYSA-N 1 0 331.334 3.293 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cccc1OC(F)(F)F ZINC001233768306 1376711700 /nfs/dbraw/zinc/71/17/00/1376711700.db2.gz OXAUKGFTGXITAK-OAHLLOKOSA-N 1 0 331.334 3.293 20 10 EGCDRO C[NH+]1C(C)(C)CC(Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1(C)C ZINC001233949082 1376741639 /nfs/dbraw/zinc/74/16/39/1376741639.db2.gz VOZOXSZLIVFZOR-UHFFFAOYSA-N 1 0 331.416 3.071 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@]3(CNCCO3)C2)c(C)n1-c1ccccc1 ZINC001235116238 1376847571 /nfs/dbraw/zinc/84/75/71/1376847571.db2.gz UGYSDNFOKONPHE-OAQYLSRUSA-N 1 0 339.483 3.049 20 10 EGCDRO Oc1ccc(F)c(Cl)c1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235222553 1376861571 /nfs/dbraw/zinc/86/15/71/1376861571.db2.gz MGORAHADZBWSBQ-XJKSGUPXSA-N 1 0 332.806 3.256 20 10 EGCDRO CC[N@H+](C)C1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237061205 1376973439 /nfs/dbraw/zinc/97/34/39/1376973439.db2.gz HDEMCHBIGPTONS-UHFFFAOYSA-N 1 0 346.393 3.249 20 10 EGCDRO CCN(CC[NH+](CC)CC)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237058246 1376974630 /nfs/dbraw/zinc/97/46/30/1376974630.db2.gz XFXAMLFPMIZRNM-UHFFFAOYSA-N 1 0 348.409 3.497 20 10 EGCDRO Cc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(C)n1-c1ccccc1 ZINC001137856004 1377631592 /nfs/dbraw/zinc/63/15/92/1377631592.db2.gz MZMSTEDFFPAMRT-FQEVSTJZSA-N 1 0 326.440 3.085 20 10 EGCDRO Cc1cc(C[N@@H+]2CCOC3(CCOCC3)C2)c(C)n1-c1ccccc1 ZINC001137859170 1377632450 /nfs/dbraw/zinc/63/24/50/1377632450.db2.gz MBYUZDCNMDQUAA-UHFFFAOYSA-N 1 0 340.467 3.476 20 10 EGCDRO c1nncn1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138220914 1377690812 /nfs/dbraw/zinc/69/08/12/1377690812.db2.gz RKAQMYMKVIEXKV-UHFFFAOYSA-N 1 0 325.460 3.106 20 10 EGCDRO Cc1c(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c2ccccc2n1C ZINC001138255415 1377693923 /nfs/dbraw/zinc/69/39/23/1377693923.db2.gz GIVXPUGFPDHWEL-NRFANRHFSA-N 1 0 347.466 3.132 20 10 EGCDRO Cc1c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c2ccccc2n1C ZINC001138256945 1377694885 /nfs/dbraw/zinc/69/48/85/1377694885.db2.gz QKQFJWODEUHNFO-UHFFFAOYSA-N 1 0 339.483 3.367 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138339633 1377705291 /nfs/dbraw/zinc/70/52/91/1377705291.db2.gz HHADGSFWYZZWDO-KXBFYZLASA-N 1 0 342.483 3.092 20 10 EGCDRO C[C@]1(F)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1F ZINC001138338019 1377705302 /nfs/dbraw/zinc/70/53/02/1377705302.db2.gz KHRINGPVKGXEDX-APWZRJJASA-N 1 0 336.426 3.363 20 10 EGCDRO CC1(C)C[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC(C)(C)O1 ZINC001138343064 1377706583 /nfs/dbraw/zinc/70/65/83/1377706583.db2.gz WXOMJIHVPXOKCG-UHFFFAOYSA-N 1 0 344.499 3.480 20 10 EGCDRO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)cc[nH+]1 ZINC001138357139 1377708658 /nfs/dbraw/zinc/70/86/58/1377708658.db2.gz BXPIXUVOKCEXPZ-UHFFFAOYSA-N 1 0 336.483 3.095 20 10 EGCDRO CN1CCCc2cc(CN3CC[C@H]([NH+]4CCCC4)[C@@H](F)C3)ccc21 ZINC001138360318 1377709470 /nfs/dbraw/zinc/70/94/70/1377709470.db2.gz SREHGNDJGNRTHJ-ICSRJNTNSA-N 1 0 331.479 3.077 20 10 EGCDRO CCN(CC)c1ccc(CN2CCCC[C@H]2C(=O)OC)c(OC)c1 ZINC001138386199 1377714094 /nfs/dbraw/zinc/71/40/94/1377714094.db2.gz JJIWSYKFQPNZIK-KRWDZBQOSA-N 1 0 334.460 3.069 20 10 EGCDRO Brc1cc(C[NH+]2CCCCC2)ccc1N1CCOCC1 ZINC001138675634 1377765517 /nfs/dbraw/zinc/76/55/17/1377765517.db2.gz FAVKVAQDUHVHOA-UHFFFAOYSA-N 1 0 339.277 3.272 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)nc1OC ZINC001139107189 1377829787 /nfs/dbraw/zinc/82/97/87/1377829787.db2.gz ZAQGJCLOBISICG-UHFFFAOYSA-N 1 0 341.455 3.331 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)ccc1N(C)C ZINC001139669782 1377930563 /nfs/dbraw/zinc/93/05/63/1377930563.db2.gz NGZZBPTWSVQSHS-XJKSGUPXSA-N 1 0 330.394 3.196 20 10 EGCDRO Cc1cc(CN2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)ccc1N(C)C ZINC001139670158 1377930699 /nfs/dbraw/zinc/93/06/99/1377930699.db2.gz JGPOFIOUBQCSDP-CALCHBBNSA-N 1 0 345.487 3.255 20 10 EGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140053919 1377996592 /nfs/dbraw/zinc/99/65/92/1377996592.db2.gz FBCFWGNGXDIRCJ-CJNGLKHVSA-N 1 0 347.459 3.084 20 10 EGCDRO Oc1ccc(F)cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001140055366 1377997211 /nfs/dbraw/zinc/99/72/11/1377997211.db2.gz STXRHMIPPLXGBO-QFBILLFUSA-N 1 0 326.415 3.238 20 10 EGCDRO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140057802 1377998055 /nfs/dbraw/zinc/99/80/55/1377998055.db2.gz MZZSGIPMUGLLTC-CQSZACIVSA-N 1 0 332.394 3.377 20 10 EGCDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC001140059982 1377998376 /nfs/dbraw/zinc/99/83/76/1377998376.db2.gz FAEJQPYFRAVUES-CQSZACIVSA-N 1 0 331.387 3.485 20 10 EGCDRO Cc1ccc(C)c(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c1O ZINC001140184886 1378028222 /nfs/dbraw/zinc/02/82/22/1378028222.db2.gz JLYPBAXQEPJSIK-QGZVFWFLSA-N 1 0 338.451 3.356 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CN3CC[C@](C)(F)[C@@H](F)C3)cc2)CC1 ZINC001140302656 1378042809 /nfs/dbraw/zinc/04/28/09/1378042809.db2.gz WZBKEOUNNKQABZ-OALUTQOASA-N 1 0 337.458 3.101 20 10 EGCDRO C[C@@H]1CN(Cc2c(O)cccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001140338152 1378048252 /nfs/dbraw/zinc/04/82/52/1378048252.db2.gz XNZWIGFOGXMDGN-GFCCVEGCSA-N 1 0 340.851 3.487 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140463076 1378066530 /nfs/dbraw/zinc/06/65/30/1378066530.db2.gz RTLXNTGQPHWQOW-ZDUSSCGKSA-N 1 0 326.824 3.145 20 10 EGCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140466405 1378067836 /nfs/dbraw/zinc/06/78/36/1378067836.db2.gz DIFXSWRJXUCFGC-DOTOQJQBSA-N 1 0 325.836 3.206 20 10 EGCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)CC[C@H]21 ZINC001140464924 1378067844 /nfs/dbraw/zinc/06/78/44/1378067844.db2.gz FDGSJPRPQIAWTO-CZUORRHYSA-N 1 0 336.863 3.124 20 10 EGCDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464328 1378068280 /nfs/dbraw/zinc/06/82/80/1378068280.db2.gz LMSFLEANLBNZTG-CQSZACIVSA-N 1 0 334.803 3.103 20 10 EGCDRO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC001140619739 1378099361 /nfs/dbraw/zinc/09/93/61/1378099361.db2.gz MJBNXMPQNUFLFT-UHFFFAOYSA-N 1 0 339.435 3.365 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)c1 ZINC001140623395 1378100469 /nfs/dbraw/zinc/10/04/69/1378100469.db2.gz QGESCNNRYOSDAM-ICSRJNTNSA-N 1 0 338.451 3.324 20 10 EGCDRO Fc1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1F)C2 ZINC001140664672 1378110166 /nfs/dbraw/zinc/11/01/66/1378110166.db2.gz OFSKGIKYBRKATO-UHFFFAOYSA-N 1 0 344.405 3.360 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c1O ZINC001140745566 1378128352 /nfs/dbraw/zinc/12/83/52/1378128352.db2.gz KSANYORBKHUFOO-CQSZACIVSA-N 1 0 335.350 3.338 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)CC2)c(O)c1 ZINC001140857102 1378159724 /nfs/dbraw/zinc/15/97/24/1378159724.db2.gz SXPUIBZWXVNHMX-OAHLLOKOSA-N 1 0 334.460 3.014 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)c(O)c1 ZINC001140856683 1378159860 /nfs/dbraw/zinc/15/98/60/1378159860.db2.gz GQYVAQDBIFVETH-INIZCTEOSA-N 1 0 344.459 3.309 20 10 EGCDRO CN(C)c1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001140921972 1378181082 /nfs/dbraw/zinc/18/10/82/1378181082.db2.gz YOFMKZSURHBLRL-UHFFFAOYSA-N 1 0 330.863 3.123 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)c(O)c1 ZINC001140949643 1378190626 /nfs/dbraw/zinc/19/06/26/1378190626.db2.gz GERGZIUEPSOKCF-UHFFFAOYSA-N 1 0 336.439 3.153 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCN(c3cccc(C)c3)CC2)c(OC)c1 ZINC001141032209 1378214035 /nfs/dbraw/zinc/21/40/35/1378214035.db2.gz VTEVAZYPVVJXAE-UHFFFAOYSA-N 1 0 342.439 3.040 20 10 EGCDRO c1c(CN2CCC([NH+]3CCCC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141074803 1378232496 /nfs/dbraw/zinc/23/24/96/1378232496.db2.gz TUVMIRWWMLEKOS-UHFFFAOYSA-N 1 0 339.527 3.446 20 10 EGCDRO c1c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc2c3c1CCCN3CCC2 ZINC001141078009 1378233686 /nfs/dbraw/zinc/23/36/86/1378233686.db2.gz INQGRXMGRIOKJL-OAQYLSRUSA-N 1 0 326.484 3.388 20 10 EGCDRO FC1(F)CO[C@@]2(CC[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)C1 ZINC001141078197 1378233728 /nfs/dbraw/zinc/23/37/28/1378233728.db2.gz ORAGSHHIAOISNL-IBGZPJMESA-N 1 0 348.437 3.386 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c1O ZINC001143110821 1378542293 /nfs/dbraw/zinc/54/22/93/1378542293.db2.gz QGXFFUIUVWORRM-UHFFFAOYSA-N 1 0 332.488 3.413 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cccc(O)c3C)CC2)c(C)c1 ZINC001144121798 1378685136 /nfs/dbraw/zinc/68/51/36/1378685136.db2.gz RIGBALAZWCPHFN-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509446 1378740048 /nfs/dbraw/zinc/74/00/48/1378740048.db2.gz WVAXJPYTSOJTPN-HNNXBMFYSA-N 1 0 329.396 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2c[nH]cc2C)cc1C ZINC001146386601 1378832989 /nfs/dbraw/zinc/83/29/89/1378832989.db2.gz WFFHJRSSPSRWFZ-JKSUJKDBSA-N 1 0 343.471 3.327 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2c[nH]cc2C)cc1C ZINC001146386600 1378833004 /nfs/dbraw/zinc/83/30/04/1378833004.db2.gz WFFHJRSSPSRWFZ-HZPDHXFCSA-N 1 0 343.471 3.327 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc3c(c2)CCC3)cc1C ZINC001150630149 1379582648 /nfs/dbraw/zinc/58/26/48/1379582648.db2.gz YRKKDQRPFBPVPE-UHFFFAOYSA-N 1 0 338.451 3.012 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC(C)(C)C2)cc1C ZINC001152837213 1379985566 /nfs/dbraw/zinc/98/55/66/1379985566.db2.gz IRGDUAFQLJXFDV-QGZVFWFLSA-N 1 0 332.488 3.426 20 10 EGCDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)c1cccc2c1CCN2C ZINC001154156771 1380218249 /nfs/dbraw/zinc/21/82/49/1380218249.db2.gz DOCZCZOXXOEGGM-GOSISDBHSA-N 1 0 335.451 3.428 20 10 EGCDRO Fc1cc(Nc2ccc3c(c2)CCCN3)ccc1N1CC[NH2+]CC1 ZINC001159536028 1381819643 /nfs/dbraw/zinc/81/96/43/1381819643.db2.gz QRJQRLBWEJLTCZ-UHFFFAOYSA-N 1 0 326.419 3.337 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2conc2C(C)C)cc1C ZINC001159792603 1381900827 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CC[C@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccccc1O ZINC000155244544 454979502 /nfs/dbraw/zinc/97/95/02/454979502.db2.gz OLRQKYQXFWAHRU-INIZCTEOSA-N 1 0 331.412 3.013 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000185079923 455498065 /nfs/dbraw/zinc/49/80/65/455498065.db2.gz UBWTZEUJLGOBQD-ACJLOTCBSA-N 1 0 332.419 3.493 20 10 EGCDRO Cc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)n1-c1ccc(F)cc1 ZINC000178845885 454984468 /nfs/dbraw/zinc/98/44/68/454984468.db2.gz JZOGMJMEDYCZMP-AWEZNQCLSA-N 1 0 343.446 3.433 20 10 EGCDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179557559 455057553 /nfs/dbraw/zinc/05/75/53/455057553.db2.gz SXLRCERECRATJF-UHFFFAOYSA-N 1 0 342.414 3.060 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000179678405 455066330 /nfs/dbraw/zinc/06/63/30/455066330.db2.gz PLYGXTRAMHKABG-GFCCVEGCSA-N 1 0 340.261 3.464 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1O ZINC000179793936 455080354 /nfs/dbraw/zinc/08/03/54/455080354.db2.gz MOVLLJFFJQXKOW-UHFFFAOYSA-N 1 0 330.472 3.171 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C)c3O)CC2)s1 ZINC000179918677 455099443 /nfs/dbraw/zinc/09/94/43/455099443.db2.gz DDIADPQTJKADFE-UHFFFAOYSA-N 1 0 344.480 3.465 20 10 EGCDRO C[N@H+](Cc1cnc2cnccn12)Cc1ccc(N2CCCCC2)cc1 ZINC000156479649 455123849 /nfs/dbraw/zinc/12/38/49/455123849.db2.gz YGRBSAZJGZWORY-UHFFFAOYSA-N 1 0 335.455 3.352 20 10 EGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000130088962 455142314 /nfs/dbraw/zinc/14/23/14/455142314.db2.gz RVLJVDQFJLETCR-UHFFFAOYSA-N 1 0 332.227 3.284 20 10 EGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180198540 455147401 /nfs/dbraw/zinc/14/74/01/455147401.db2.gz FHPJCZAWNSGJKN-GFCCVEGCSA-N 1 0 328.250 3.322 20 10 EGCDRO C[C@@H]([NH2+]CCOCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000156901677 455155987 /nfs/dbraw/zinc/15/59/87/455155987.db2.gz CTUKHMUWXGLHED-GOSISDBHSA-N 1 0 340.467 3.391 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Br)ccc1O ZINC000189289128 455170335 /nfs/dbraw/zinc/17/03/35/455170335.db2.gz SJURUNQPXFXZEC-VHRBIJSZSA-N 1 0 328.250 3.356 20 10 EGCDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000237481381 455188292 /nfs/dbraw/zinc/18/82/92/455188292.db2.gz SOSTXYIBYNOIRU-INIZCTEOSA-N 1 0 337.467 3.153 20 10 EGCDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)cc1 ZINC000183432880 455293011 /nfs/dbraw/zinc/29/30/11/455293011.db2.gz LWAHVJUBRZLKKC-YLJYHZDGSA-N 1 0 340.467 3.425 20 10 EGCDRO COc1ccc(CC[NH2+][C@H](C)c2ccccc2O)c(OC)c1OC ZINC000183487238 455298756 /nfs/dbraw/zinc/29/87/56/455298756.db2.gz PZBVTNUHNLZKHL-CYBMUJFWSA-N 1 0 331.412 3.311 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1OCC ZINC000265094842 455300403 /nfs/dbraw/zinc/30/04/03/455300403.db2.gz PBFSGSXMRSJHNV-UHFFFAOYSA-N 1 0 331.412 3.488 20 10 EGCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2)c1 ZINC000183543663 455304594 /nfs/dbraw/zinc/30/45/94/455304594.db2.gz OLHKMWYPYFGUCB-HUUCEWRRSA-N 1 0 342.439 3.339 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3cccnc3)C2)cc1 ZINC000174622377 455407006 /nfs/dbraw/zinc/40/70/06/455407006.db2.gz FBZAJQVEXDMSOR-HNNXBMFYSA-N 1 0 333.382 3.442 20 10 EGCDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c(O)c1 ZINC000266160814 455423949 /nfs/dbraw/zinc/42/39/49/455423949.db2.gz NNQZOAGCGZAKDM-IBGZPJMESA-N 1 0 333.428 3.388 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(OC3CCCC3)CC2)cc1OC ZINC000160061958 455425279 /nfs/dbraw/zinc/42/52/79/455425279.db2.gz DIVFMNLWCCZMJI-UHFFFAOYSA-N 1 0 335.444 3.333 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699292 455430204 /nfs/dbraw/zinc/43/02/04/455430204.db2.gz FBNZRERKYDHVMS-ZDUSSCGKSA-N 1 0 326.868 3.218 20 10 EGCDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2cc(F)ccc2O)N2CCOCC2)o1 ZINC000184909898 455470754 /nfs/dbraw/zinc/47/07/54/455470754.db2.gz MGHAOOIMJAOAFF-PBHICJAKSA-N 1 0 348.418 3.157 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000185170548 455515024 /nfs/dbraw/zinc/51/50/24/455515024.db2.gz SLYCQUIVWFKGEH-STQMWFEESA-N 1 0 349.452 3.216 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1 ZINC000185263148 455530554 /nfs/dbraw/zinc/53/05/54/455530554.db2.gz XGBXSRSSCSEJIR-CQSZACIVSA-N 1 0 333.453 3.096 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185374807 455550804 /nfs/dbraw/zinc/55/08/04/455550804.db2.gz YSKZPKNLUJXJRN-OLZOCXBDSA-N 1 0 337.366 3.069 20 10 EGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc2ccccc2c1O ZINC000185449904 455558910 /nfs/dbraw/zinc/55/89/10/455558910.db2.gz TUCUBGIXFLMDCE-OAHLLOKOSA-N 1 0 328.456 3.307 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000283968344 455617699 /nfs/dbraw/zinc/61/76/99/455617699.db2.gz KYEGOWUJFRHDEZ-LJQANCHMSA-N 1 0 328.456 3.405 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000271432546 455634630 /nfs/dbraw/zinc/63/46/30/455634630.db2.gz BDVOGCHYZCCKTA-HLAWJBBLSA-N 1 0 342.483 3.278 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2cccc(NC(C)=O)c2)c1 ZINC000185966540 455663462 /nfs/dbraw/zinc/66/34/62/455663462.db2.gz BZYRXOVEXOLODF-ZDUSSCGKSA-N 1 0 344.411 3.089 20 10 EGCDRO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000185983673 455668972 /nfs/dbraw/zinc/66/89/72/455668972.db2.gz COKPQCQCYOJPCK-AWEZNQCLSA-N 1 0 338.451 3.263 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000186019280 455676654 /nfs/dbraw/zinc/67/66/54/455676654.db2.gz YGOCQQSDBMIUQZ-MRXNPFEDSA-N 1 0 348.487 3.087 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)c1 ZINC000186039119 455681772 /nfs/dbraw/zinc/68/17/72/455681772.db2.gz GSRYJIQBICAPJV-LBPRGKRZSA-N 1 0 343.402 3.320 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC2(O)CCC2)c1O ZINC000284441883 455686808 /nfs/dbraw/zinc/68/68/08/455686808.db2.gz SUMVBLGHZGOMBX-NSHDSACASA-N 1 0 328.250 3.419 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271572023 455687754 /nfs/dbraw/zinc/68/77/54/455687754.db2.gz YZUAYUIYKIDKCL-NVXWUHKLSA-N 1 0 348.462 3.415 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000186191132 455712384 /nfs/dbraw/zinc/71/23/84/455712384.db2.gz IGIAACNPWSPPHL-SJLPKXTDSA-N 1 0 338.451 3.400 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000268773606 455713204 /nfs/dbraw/zinc/71/32/04/455713204.db2.gz GBDQDHWGEIEIHF-UWJYYQICSA-N 1 0 340.467 3.216 20 10 EGCDRO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000268841061 455715148 /nfs/dbraw/zinc/71/51/48/455715148.db2.gz HTWBEPXUXMJKKR-BVIKNXMNSA-N 1 0 349.494 3.012 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cncc(F)c1 ZINC000268867241 455715878 /nfs/dbraw/zinc/71/58/78/455715878.db2.gz ULAHRSZUSSKVJB-ZDUSSCGKSA-N 1 0 347.409 3.172 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1O ZINC000186449073 455771692 /nfs/dbraw/zinc/77/16/92/455771692.db2.gz BRVFXJMHGDTWOB-HXUWFJFHSA-N 1 0 325.408 3.422 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)c(O)c1 ZINC000186481290 455777840 /nfs/dbraw/zinc/77/78/40/455777840.db2.gz VPKLJFVQANZJJJ-UHFFFAOYSA-N 1 0 337.485 3.279 20 10 EGCDRO CC(C)C(=O)NCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293216024 455778378 /nfs/dbraw/zinc/77/83/78/455778378.db2.gz AEGMIRWAKCGRIE-IBGZPJMESA-N 1 0 340.467 3.428 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000293433943 455787159 /nfs/dbraw/zinc/78/71/59/455787159.db2.gz OLAOQRYWFJZYDR-DNVCBOLYSA-N 1 0 341.430 3.057 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293690263 455794413 /nfs/dbraw/zinc/79/44/13/455794413.db2.gz QNLLBPRDLPQPSP-SFHVURJKSA-N 1 0 330.428 3.035 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C)c1 ZINC000271879025 455796665 /nfs/dbraw/zinc/79/66/65/455796665.db2.gz YPULWKSFXSTBCS-AWEZNQCLSA-N 1 0 328.412 3.307 20 10 EGCDRO CCn1cnnc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293950712 455801638 /nfs/dbraw/zinc/80/16/38/455801638.db2.gz ZHMPSQGDVFAGEI-SFHVURJKSA-N 1 0 336.439 3.467 20 10 EGCDRO CCC[C@](C)([NH3+])C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000269241862 455819555 /nfs/dbraw/zinc/81/95/55/455819555.db2.gz NTBJOBQYCJMMCA-HNNXBMFYSA-N 1 0 343.265 3.021 20 10 EGCDRO CCN(C)C(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000272038522 455828832 /nfs/dbraw/zinc/82/88/32/455828832.db2.gz OHLBKZZEBKNXGC-INIZCTEOSA-N 1 0 326.440 3.434 20 10 EGCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000278365919 455831024 /nfs/dbraw/zinc/83/10/24/455831024.db2.gz DGHRBBFMLCVUDN-DZIBYMRMSA-N 1 0 332.488 3.258 20 10 EGCDRO C=Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000194344472 455831342 /nfs/dbraw/zinc/83/13/42/455831342.db2.gz HNJOMACNFQLAQT-OAHLLOKOSA-N 1 0 348.397 3.344 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(O)c1 ZINC000278429368 455835366 /nfs/dbraw/zinc/83/53/66/455835366.db2.gz SYSFFEBXVFNKAC-XJKSGUPXSA-N 1 0 347.377 3.316 20 10 EGCDRO CCCN(Cc1ccc(N(C)CCOC)nc1)c1ccc(C[NH3+])cc1 ZINC000278455078 455836726 /nfs/dbraw/zinc/83/67/26/455836726.db2.gz YOSLRZSQVVEXNU-UHFFFAOYSA-N 1 0 342.487 3.040 20 10 EGCDRO COc1c(O)c(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)ccc1[N+](=O)[O-] ZINC000278541261 455838841 /nfs/dbraw/zinc/83/88/41/455838841.db2.gz XMPPJXCBBKPDME-CYBMUJFWSA-N 1 0 349.412 3.315 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1O ZINC000295171032 455841862 /nfs/dbraw/zinc/84/18/62/455841862.db2.gz UGXMDJGIMUPDGV-DLTWYDFYSA-N 1 0 332.444 3.298 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)OC(C)(C)C3)cc2)CC1 ZINC000295417418 455848599 /nfs/dbraw/zinc/84/85/99/455848599.db2.gz DSHRZCHWEDTRBF-MRXNPFEDSA-N 1 0 332.488 3.301 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)ccc1N(C)C ZINC000295572820 455853805 /nfs/dbraw/zinc/85/38/05/455853805.db2.gz LNRXMBJBZLFECX-QGZVFWFLSA-N 1 0 331.504 3.175 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCn2cccn2)c1O ZINC000186973939 455858373 /nfs/dbraw/zinc/85/83/73/455858373.db2.gz NPLSVGYOAUPIKY-GFCCVEGCSA-N 1 0 338.249 3.401 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3C[C@H](C)O)cc2)CC1 ZINC000295977486 455865604 /nfs/dbraw/zinc/86/56/04/455865604.db2.gz KXBPOTDIUWZVMH-FXAWDEMLSA-N 1 0 346.515 3.427 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1F ZINC000279644988 455869716 /nfs/dbraw/zinc/86/97/16/455869716.db2.gz DLFOGDRCYROHGW-KRWDZBQOSA-N 1 0 335.467 3.020 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(NC(=O)N(C)C)cc2)cc1C ZINC000279813471 455873948 /nfs/dbraw/zinc/87/39/48/455873948.db2.gz BEWFSEUFHRJQFQ-UHFFFAOYSA-N 1 0 327.428 3.387 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)s1)c1ccccc1O ZINC000279928025 455878358 /nfs/dbraw/zinc/87/83/58/455878358.db2.gz ALYDJTJOTWJXEI-AWEZNQCLSA-N 1 0 339.482 3.488 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1ccc(C)cc1O ZINC000280001551 455880179 /nfs/dbraw/zinc/88/01/79/455880179.db2.gz FYFJKVACDXAKDA-KRWDZBQOSA-N 1 0 328.460 3.442 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc(Br)cn2)c(O)c1C ZINC000285605272 455880408 /nfs/dbraw/zinc/88/04/08/455880408.db2.gz ISYHSZNJWMYPGZ-GFCCVEGCSA-N 1 0 338.249 3.319 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccc1C ZINC000272238676 455887787 /nfs/dbraw/zinc/88/77/87/455887787.db2.gz KPNFRPOXDHBRFF-DOTOQJQBSA-N 1 0 325.456 3.212 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1O ZINC000280092001 455889959 /nfs/dbraw/zinc/88/99/59/455889959.db2.gz MLSKQIPCXXURAF-ICSRJNTNSA-N 1 0 345.439 3.492 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000280287290 455936726 /nfs/dbraw/zinc/93/67/26/455936726.db2.gz NGYDPLQMQHASSR-LBPRGKRZSA-N 1 0 344.299 3.174 20 10 EGCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296553968 455972033 /nfs/dbraw/zinc/97/20/33/455972033.db2.gz TVPLHNFCLRSTPH-YOEHRIQHSA-N 1 0 345.464 3.140 20 10 EGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3ccccc3O)CC2)c1 ZINC000296628852 455994021 /nfs/dbraw/zinc/99/40/21/455994021.db2.gz XHRPCCGMULHECC-CQSZACIVSA-N 1 0 343.427 3.164 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2ccco2)c(C(F)(F)F)c1 ZINC000280665967 456025543 /nfs/dbraw/zinc/02/55/43/456025543.db2.gz CAVISPNTKYNSKM-INIZCTEOSA-N 1 0 342.361 3.362 20 10 EGCDRO COC1CCN(c2ccc(CN(C)[C@@H](C)C(=O)OC(C)C)cc2)CC1 ZINC000296810343 456043411 /nfs/dbraw/zinc/04/34/11/456043411.db2.gz QAFLNEOZBOBZHG-INIZCTEOSA-N 1 0 348.487 3.074 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000287264923 456065955 /nfs/dbraw/zinc/06/59/55/456065955.db2.gz IQZUJKXAKYIHIX-HZPDHXFCSA-N 1 0 342.439 3.362 20 10 EGCDRO COC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000287703505 456076599 /nfs/dbraw/zinc/07/65/99/456076599.db2.gz XEVOIWBHQXHTRC-GFCCVEGCSA-N 1 0 330.384 3.430 20 10 EGCDRO C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccccc1O ZINC000272821425 456079519 /nfs/dbraw/zinc/07/95/19/456079519.db2.gz FWDUPXCAUGYXHI-HNNXBMFYSA-N 1 0 340.471 3.491 20 10 EGCDRO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000288150276 456088622 /nfs/dbraw/zinc/08/86/22/456088622.db2.gz NVJNQGQCJSSLAX-BEFAXECRSA-N 1 0 341.455 3.225 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1C ZINC000288359361 456092933 /nfs/dbraw/zinc/09/29/33/456092933.db2.gz CSGYILHWZSRRLA-QGZVFWFLSA-N 1 0 342.439 3.104 20 10 EGCDRO C[C@H](CCOCc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000288479211 456097058 /nfs/dbraw/zinc/09/70/58/456097058.db2.gz PQQDJQIFVVCIHD-CQSZACIVSA-N 1 0 329.396 3.206 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289548780 456130257 /nfs/dbraw/zinc/13/02/57/456130257.db2.gz XMNSPLAOLASEBE-MRXNPFEDSA-N 1 0 336.229 3.368 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000271212963 456176654 /nfs/dbraw/zinc/17/66/54/456176654.db2.gz IDJLUWBOPUYQNE-OAHLLOKOSA-N 1 0 336.229 3.286 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)O1 ZINC000297361094 456198830 /nfs/dbraw/zinc/19/88/30/456198830.db2.gz CASNJHHRNVONFK-VQIMIIECSA-N 1 0 332.488 3.301 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000289970684 456200056 /nfs/dbraw/zinc/20/00/56/456200056.db2.gz ZBHSUZSAHKQBFA-CQSZACIVSA-N 1 0 329.356 3.041 20 10 EGCDRO COCCOCc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297404078 456211632 /nfs/dbraw/zinc/21/16/32/456211632.db2.gz SRMZFOWLBJKUNP-GOSISDBHSA-N 1 0 327.424 3.332 20 10 EGCDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000189094040 456224211 /nfs/dbraw/zinc/22/42/11/456224211.db2.gz VFOBBBSELDHJLQ-QFBILLFUSA-N 1 0 338.451 3.461 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c(O)c1C ZINC000273432967 456230551 /nfs/dbraw/zinc/23/05/51/456230551.db2.gz WIRALZKWKVPAAV-GOEBONIOSA-N 1 0 333.403 3.239 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCO[C@H](c3ccc(F)cc3)C1)OCO2 ZINC000273481056 456233060 /nfs/dbraw/zinc/23/30/60/456233060.db2.gz LGJJPHMWPWZWIH-RDJZCZTQSA-N 1 0 345.370 3.270 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Br)ccc2O)o1 ZINC000273595146 456241590 /nfs/dbraw/zinc/24/15/90/456241590.db2.gz QJDJQZZDTHXWQF-IINYFYTJSA-N 1 0 340.217 3.440 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1O ZINC000273807458 456245038 /nfs/dbraw/zinc/24/50/38/456245038.db2.gz YGHGICGETOYCSW-INIZCTEOSA-N 1 0 335.831 3.138 20 10 EGCDRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297546610 456247910 /nfs/dbraw/zinc/24/79/10/456247910.db2.gz FIJADKVLXIRRQK-IEBWSBKVSA-N 1 0 327.424 3.490 20 10 EGCDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000290192027 456262790 /nfs/dbraw/zinc/26/27/90/456262790.db2.gz OJKLOZYFDKUTFQ-JLTOFOAXSA-N 1 0 345.439 3.054 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000290385495 456312776 /nfs/dbraw/zinc/31/27/76/456312776.db2.gz RXPFGXATUDLVIL-BOUXLOLZSA-N 1 0 326.440 3.288 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1O ZINC000281852094 456341015 /nfs/dbraw/zinc/34/10/15/456341015.db2.gz ZGXRYRZLDZDRPC-HXUWFJFHSA-N 1 0 343.398 3.048 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc(F)ccc1O ZINC000282436884 456513156 /nfs/dbraw/zinc/51/31/56/456513156.db2.gz MSZPLCAWASDJCS-BBRMVZONSA-N 1 0 343.402 3.488 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnn2CCCOC)cc1 ZINC000282701953 456596869 /nfs/dbraw/zinc/59/68/69/456596869.db2.gz QEWKBVIEQQPKOU-UHFFFAOYSA-N 1 0 330.476 3.056 20 10 EGCDRO CCSCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000282799028 456628552 /nfs/dbraw/zinc/62/85/52/456628552.db2.gz QQUDEJSRFRFBBF-CQSZACIVSA-N 1 0 326.481 3.456 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2c1O ZINC000325761991 456685846 /nfs/dbraw/zinc/68/58/46/456685846.db2.gz BFBXSRBYXNVDJW-UAGQMJEPSA-N 1 0 326.440 3.059 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000283095868 456709081 /nfs/dbraw/zinc/70/90/81/456709081.db2.gz WULWGPCWEYGTGU-GOSISDBHSA-N 1 0 338.455 3.149 20 10 EGCDRO COc1cc(O)c(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1OC ZINC000292160545 456873064 /nfs/dbraw/zinc/87/30/64/456873064.db2.gz WDKKBVUKEDKCOO-ZDUSSCGKSA-N 1 0 329.396 3.193 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000359955438 457170896 /nfs/dbraw/zinc/17/08/96/457170896.db2.gz IHKIWBKWHGYSAM-MAZHCROVSA-N 1 0 325.836 3.347 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000378436699 457395690 /nfs/dbraw/zinc/39/56/90/457395690.db2.gz CWUWPDFZORJPJJ-ICSRJNTNSA-N 1 0 327.424 3.489 20 10 EGCDRO COc1c(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755941 457686918 /nfs/dbraw/zinc/68/69/18/457686918.db2.gz CUAQKAKWORQERM-LRDDRELGSA-N 1 0 343.383 3.287 20 10 EGCDRO O=C(c1cccs1)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000361392510 457715254 /nfs/dbraw/zinc/71/52/54/457715254.db2.gz OODKZBRDYCXISW-UHFFFAOYSA-N 1 0 345.420 3.277 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000375039273 457766539 /nfs/dbraw/zinc/76/65/39/457766539.db2.gz MPKFCVXPMLTEEW-IBGZPJMESA-N 1 0 331.387 3.024 20 10 EGCDRO COC[C@H]1CCCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000375096853 457789156 /nfs/dbraw/zinc/78/91/56/457789156.db2.gz MOPYWPHYRSIREF-LBPRGKRZSA-N 1 0 328.250 3.403 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1O ZINC000375267545 457857195 /nfs/dbraw/zinc/85/71/95/457857195.db2.gz KFIVKBLDWDLDPH-UHFFFAOYSA-N 1 0 335.835 3.465 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1OC ZINC000367221857 457933796 /nfs/dbraw/zinc/93/37/96/457933796.db2.gz SOQMJYOCNPTMGX-MRXNPFEDSA-N 1 0 329.396 3.063 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1OC ZINC000367221856 457934266 /nfs/dbraw/zinc/93/42/66/457934266.db2.gz SOQMJYOCNPTMGX-INIZCTEOSA-N 1 0 329.396 3.063 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000527237410 459612999 /nfs/dbraw/zinc/61/29/99/459612999.db2.gz FKFZVIXQXCVAAR-UHFFFAOYSA-N 1 0 349.413 3.496 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)c(O)c1 ZINC000527842394 459756172 /nfs/dbraw/zinc/75/61/72/459756172.db2.gz XQUJQABVNMHHPU-LJQANCHMSA-N 1 0 328.412 3.435 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000726274453 574547946 /nfs/dbraw/zinc/54/79/46/574547946.db2.gz DFAANVGNNIAGOQ-UHFFFAOYSA-N 1 0 346.519 3.016 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000726707681 574567378 /nfs/dbraw/zinc/56/73/78/574567378.db2.gz FLXLYGZSCOSSPO-OALUTQOASA-N 1 0 345.531 3.376 20 10 EGCDRO CC(C)(C)C(=O)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729684067 574878854 /nfs/dbraw/zinc/87/88/54/574878854.db2.gz ILRRWNXCKHBATK-UHFFFAOYSA-N 1 0 326.440 3.311 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000738159287 574884623 /nfs/dbraw/zinc/88/46/23/574884623.db2.gz RRDLKIRNCBQTAN-MRXNPFEDSA-N 1 0 329.444 3.429 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)C3CC3)cc2F)CC1 ZINC000730194178 574940424 /nfs/dbraw/zinc/94/04/24/574940424.db2.gz KZHFRLFLUAWWNP-OAHLLOKOSA-N 1 0 347.478 3.020 20 10 EGCDRO COC1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000730817683 575024093 /nfs/dbraw/zinc/02/40/93/575024093.db2.gz RHRKBINDCHURHF-UHFFFAOYSA-N 1 0 326.868 3.025 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000731024961 575045584 /nfs/dbraw/zinc/04/55/84/575045584.db2.gz GOYQIBUPIQKSAT-GOSISDBHSA-N 1 0 339.483 3.474 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000731123378 575056009 /nfs/dbraw/zinc/05/60/09/575056009.db2.gz DNWVYGUQNLVGAL-SFHVURJKSA-N 1 0 346.519 3.016 20 10 EGCDRO Cc1c(CN(C)c2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000732410675 575268109 /nfs/dbraw/zinc/26/81/09/575268109.db2.gz GMXNLCOLABOKJN-UHFFFAOYSA-N 1 0 343.427 3.480 20 10 EGCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C(C)(C)C)cc(O)c1O)CC2 ZINC000733791639 575389939 /nfs/dbraw/zinc/38/99/39/575389939.db2.gz ALVZXCXCMFEZDZ-HNNXBMFYSA-N 1 0 347.455 3.170 20 10 EGCDRO O=C(CCCC[NH+]1CCCC1)NCCCSc1nccs1 ZINC000733974974 575416944 /nfs/dbraw/zinc/41/69/44/575416944.db2.gz SFDQGUCKIFEURM-UHFFFAOYSA-N 1 0 327.519 3.008 20 10 EGCDRO Oc1cc2c(cc1CN1CCC[N@H+](CC3CCCCC3)CC1)OCO2 ZINC000738036583 576282287 /nfs/dbraw/zinc/28/22/87/576282287.db2.gz LPULJYQUPVKMOW-UHFFFAOYSA-N 1 0 346.471 3.209 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000744433232 576828123 /nfs/dbraw/zinc/82/81/23/576828123.db2.gz OPGWJZRUVHLENA-OAHLLOKOSA-N 1 0 327.472 3.473 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000769404737 1303108748 /nfs/dbraw/zinc/10/87/48/1303108748.db2.gz ORMBUXAMOMQBEB-LJQANCHMSA-N 1 0 343.515 3.367 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCc4nn(C)cc43)CC2)cc1 ZINC000794803325 1309598446 /nfs/dbraw/zinc/59/84/46/1309598446.db2.gz IHQGEOLOFVCOHU-IBGZPJMESA-N 1 0 340.471 3.065 20 10 EGCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000895940315 1309601962 /nfs/dbraw/zinc/60/19/62/1309601962.db2.gz LKLAKSIENZSHMA-GOSISDBHSA-N 1 0 329.488 3.166 20 10 EGCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000021959274 1291207291 /nfs/dbraw/zinc/20/72/91/1291207291.db2.gz DGNOIBAPYRIXPG-UHFFFAOYSA-N 1 0 333.435 3.258 20 10 EGCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054543949 1291756428 /nfs/dbraw/zinc/75/64/28/1291756428.db2.gz FLCDIZQONOEXSV-CYBMUJFWSA-N 1 0 332.488 3.294 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCOc3ccccc3)CC2)cc1 ZINC000060993037 1291955943 /nfs/dbraw/zinc/95/59/43/1291955943.db2.gz QXGRNHPIHCABBL-UHFFFAOYSA-N 1 0 326.440 3.286 20 10 EGCDRO C[N@H+](CCc1c(F)cccc1F)Cc1ccc(N2CCOCC2)cc1 ZINC000827719583 1292359858 /nfs/dbraw/zinc/35/98/58/1292359858.db2.gz MFVNNJKKTNRVAU-UHFFFAOYSA-N 1 0 346.421 3.476 20 10 EGCDRO COC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@H](C)O1 ZINC000829113500 1292542778 /nfs/dbraw/zinc/54/27/78/1292542778.db2.gz JJQRRGFWNQMHJG-HKUYNNGSSA-N 1 0 332.488 3.221 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000079296681 1292552602 /nfs/dbraw/zinc/55/26/02/1292552602.db2.gz KOCBMORXJGNWLX-QGZVFWFLSA-N 1 0 346.519 3.159 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)OC4(CCC4)C3)cc2)CC1 ZINC000830740050 1292761029 /nfs/dbraw/zinc/76/10/29/1292761029.db2.gz NNCJHVLZZNLKNR-KRWDZBQOSA-N 1 0 344.499 3.445 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000093278862 1292913052 /nfs/dbraw/zinc/91/30/52/1292913052.db2.gz JIFDUFCVTFSYQF-IBGZPJMESA-N 1 0 329.488 3.120 20 10 EGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000093692670 1292931555 /nfs/dbraw/zinc/93/15/55/1292931555.db2.gz TYIGDYUGOSPSRR-CYBMUJFWSA-N 1 0 341.293 3.318 20 10 EGCDRO Cc1cc(C)c(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000832267420 1292979689 /nfs/dbraw/zinc/97/96/89/1292979689.db2.gz RTOYYBUZVKIKRX-HXUWFJFHSA-N 1 0 339.483 3.037 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1C(C)C ZINC000832279332 1292980904 /nfs/dbraw/zinc/98/09/04/1292980904.db2.gz JCIKDGHGPQJPFM-IBGZPJMESA-N 1 0 342.487 3.182 20 10 EGCDRO CCCc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832282420 1292982339 /nfs/dbraw/zinc/98/23/39/1292982339.db2.gz ZKZHELNSHGBJNC-LJQANCHMSA-N 1 0 325.456 3.135 20 10 EGCDRO CCC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832284376 1292982386 /nfs/dbraw/zinc/98/23/86/1292982386.db2.gz JXVJYEUYRNMHGG-VQTJNVASSA-N 1 0 339.483 3.453 20 10 EGCDRO CCSc1ccccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292437 1292983171 /nfs/dbraw/zinc/98/31/71/1292983171.db2.gz HAMBFVHLYNKLOX-KRWDZBQOSA-N 1 0 343.496 3.294 20 10 EGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834774823 1293145617 /nfs/dbraw/zinc/14/56/17/1293145617.db2.gz RSNQACTVGZJBKW-BBRMVZONSA-N 1 0 332.444 3.226 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c(C)n1-c1ccccc1C ZINC000834791616 1293149498 /nfs/dbraw/zinc/14/94/98/1293149498.db2.gz PHMPQWQTBMLLLM-IBGZPJMESA-N 1 0 337.467 3.274 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000834883350 1293163276 /nfs/dbraw/zinc/16/32/76/1293163276.db2.gz JMSUEVXFBBMOJP-LJQANCHMSA-N 1 0 346.496 3.397 20 10 EGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000834895669 1293167535 /nfs/dbraw/zinc/16/75/35/1293167535.db2.gz CQMPYQYVKWVKOP-GHMZBOCLSA-N 1 0 338.249 3.170 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000834902100 1293170416 /nfs/dbraw/zinc/17/04/16/1293170416.db2.gz DRGUQGOCVRIMIK-AWEZNQCLSA-N 1 0 338.467 3.110 20 10 EGCDRO O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C[C@H]2CCCCN12 ZINC000835074655 1293201154 /nfs/dbraw/zinc/20/11/54/1293201154.db2.gz SMBCFUOVNWBYHG-MOPGFXCFSA-N 1 0 336.435 3.302 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000119101899 1293254043 /nfs/dbraw/zinc/25/40/43/1293254043.db2.gz GEGRXLGDJXRUTC-HXUWFJFHSA-N 1 0 339.483 3.452 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CCO[C@](C)(c3ccccc3)C2)c1O ZINC000121258079 1293362619 /nfs/dbraw/zinc/36/26/19/1293362619.db2.gz VHHBXGHXMMMZIY-FQEVSTJZSA-N 1 0 343.398 3.482 20 10 EGCDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122538833 1293416912 /nfs/dbraw/zinc/41/69/12/1293416912.db2.gz WIAPUWNVNYKLKJ-ZBFHGGJFSA-N 1 0 340.895 3.234 20 10 EGCDRO COCc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000126189384 1293527480 /nfs/dbraw/zinc/52/74/80/1293527480.db2.gz RNRBGGRTKMBSMQ-HNNXBMFYSA-N 1 0 330.428 3.113 20 10 EGCDRO Oc1ccc(Br)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000134123111 1293764033 /nfs/dbraw/zinc/76/40/33/1293764033.db2.gz NOMPPXLWWXJENQ-HNNXBMFYSA-N 1 0 339.277 3.215 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000151172062 1293911072 /nfs/dbraw/zinc/91/10/72/1293911072.db2.gz LWGVGFGCIUYTLI-HNNXBMFYSA-N 1 0 331.485 3.322 20 10 EGCDRO CC(C)C(=O)N1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000151932576 1293945420 /nfs/dbraw/zinc/94/54/20/1293945420.db2.gz YPEQGBNMRVZZQO-UHFFFAOYSA-N 1 0 348.487 3.086 20 10 EGCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000156344082 1294139657 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COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(CC(C)C)CC(C)C)c1 ZINC000182360231 1295038342 /nfs/dbraw/zinc/03/83/42/1295038342.db2.gz KHBBZDWTDNGYOF-OAHLLOKOSA-N 1 0 336.476 3.192 20 10 EGCDRO C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1O ZINC000185534098 1295269029 /nfs/dbraw/zinc/26/90/29/1295269029.db2.gz OZASRWAHEYELSM-XHDPSFHLSA-N 1 0 338.423 3.485 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)c1 ZINC000189844166 1295547074 /nfs/dbraw/zinc/54/70/74/1295547074.db2.gz YONZCSDCFWCBIB-SECBINFHSA-N 1 0 343.292 3.266 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc(N2CCOCC2)cc1 ZINC000237592135 1296251826 /nfs/dbraw/zinc/25/18/26/1296251826.db2.gz CAPJSWFVKZCJSO-HNNXBMFYSA-N 1 0 336.439 3.250 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000246257566 1296344717 /nfs/dbraw/zinc/34/47/17/1296344717.db2.gz NCDVPVVGWMKQED-SJORKVTESA-N 1 0 347.503 3.434 20 10 EGCDRO Cc1cc(C(=O)CN2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1cccc(F)c1 ZINC000249602502 1296448548 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COc1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1Cn1cccn1 ZINC000873129692 1297286920 /nfs/dbraw/zinc/28/69/20/1297286920.db2.gz QPJQIYMRKUHQFV-KRWDZBQOSA-N 1 0 343.471 3.235 20 10 EGCDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC000873196975 1297342413 /nfs/dbraw/zinc/34/24/13/1297342413.db2.gz VPPTVLDKIAQJQP-VLIAUNLRSA-N 1 0 345.439 3.233 20 10 EGCDRO CC1(C)CN(C(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000382758465 1297564622 /nfs/dbraw/zinc/56/46/22/1297564622.db2.gz UAAGPYALJXZSBZ-UHFFFAOYSA-N 1 0 338.455 3.397 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)Cc2ccco2)c1O ZINC000725843948 1298372203 /nfs/dbraw/zinc/37/22/03/1298372203.db2.gz IWHVUSDZVDKOKX-JTQLQIEISA-N 1 0 340.217 3.477 20 10 EGCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000746117971 1298536117 /nfs/dbraw/zinc/53/61/17/1298536117.db2.gz OOEHQPNSKBQUSX-HZPDHXFCSA-N 1 0 329.488 3.116 20 10 EGCDRO COC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOCC1 ZINC000746756719 1298655076 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Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877110982 1299159212 /nfs/dbraw/zinc/15/92/12/1299159212.db2.gz CDXREMHHMCEXMB-CQSZACIVSA-N 1 0 343.471 3.146 20 10 EGCDRO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000749177277 1299159331 /nfs/dbraw/zinc/15/93/31/1299159331.db2.gz RGXIMKHMCHQJAW-UHFFFAOYSA-N 1 0 331.504 3.364 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c(C)noc1C ZINC000877120690 1299165696 /nfs/dbraw/zinc/16/56/96/1299165696.db2.gz TXDKZNGZHCRKNJ-LJQANCHMSA-N 1 0 343.471 3.493 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000749556065 1299235794 /nfs/dbraw/zinc/23/57/94/1299235794.db2.gz VLVWWMPJIAOYBD-MJGOQNOKSA-N 1 0 346.519 3.205 20 10 EGCDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877487253 1299338748 /nfs/dbraw/zinc/33/87/48/1299338748.db2.gz RKCUMJMFJLIKND-DYVFJYSZSA-N 1 0 342.405 3.420 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)cc2)CC1 ZINC000877603362 1299425519 /nfs/dbraw/zinc/42/55/19/1299425519.db2.gz LHXYKOBFCMJOFJ-RXVVDRJESA-N 1 0 344.499 3.039 20 10 EGCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC000877672350 1299468684 /nfs/dbraw/zinc/46/86/84/1299468684.db2.gz CNSBOKAESDKXBN-UHFFFAOYSA-N 1 0 338.451 3.403 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000877694005 1299485973 /nfs/dbraw/zinc/48/59/73/1299485973.db2.gz WTEAWWVLKMOLBV-QPUJVOFHSA-N 1 0 344.299 3.173 20 10 EGCDRO CC1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOCC1 ZINC000753371952 1299924003 /nfs/dbraw/zinc/92/40/03/1299924003.db2.gz BOYMNXIBOCVSCS-UHFFFAOYSA-N 1 0 347.459 3.491 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCCO1 ZINC000753619379 1299992481 /nfs/dbraw/zinc/99/24/81/1299992481.db2.gz MGAJWRGQRYFPPP-GPINWOSQSA-N 1 0 336.451 3.096 20 10 EGCDRO CN(C)c1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000754058133 1300073697 /nfs/dbraw/zinc/07/36/97/1300073697.db2.gz LYQNOELVWDQZRU-SFHVURJKSA-N 1 0 341.455 3.034 20 10 EGCDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000756355715 1300474114 /nfs/dbraw/zinc/47/41/14/1300474114.db2.gz RISJMVIKXSZOCO-QFBILLFUSA-N 1 0 346.515 3.278 20 10 EGCDRO CC(C)CN1CCO[C@H](C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756355667 1300474417 /nfs/dbraw/zinc/47/44/17/1300474417.db2.gz QQKOHZUTQBEGMM-LZWOXQAQSA-N 1 0 336.451 3.026 20 10 EGCDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCOCC1 ZINC000756402755 1300484762 /nfs/dbraw/zinc/48/47/62/1300484762.db2.gz YJACWNVHAKPLCJ-KSSFIOAISA-N 1 0 338.467 3.319 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cn1 ZINC000756433845 1300490003 /nfs/dbraw/zinc/49/00/03/1300490003.db2.gz PUNVQPVEORUWDG-LBPRGKRZSA-N 1 0 336.819 3.317 20 10 EGCDRO C[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000756453300 1300495230 /nfs/dbraw/zinc/49/52/30/1300495230.db2.gz DUCCEQZIIIROKW-NSHDSACASA-N 1 0 336.794 3.265 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756461390 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CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000769914154 1303192448 /nfs/dbraw/zinc/19/24/48/1303192448.db2.gz VGMFRARFCKJSTJ-QGZVFWFLSA-N 1 0 325.836 3.375 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(O)c1 ZINC000770380584 1303258454 /nfs/dbraw/zinc/25/84/54/1303258454.db2.gz ORYBHLWTPHBJMD-HNNXBMFYSA-N 1 0 342.443 3.166 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770752362 1303313741 /nfs/dbraw/zinc/31/37/41/1303313741.db2.gz NUEAIQOMGVSDLJ-CTNGQTDRSA-N 1 0 339.435 3.487 20 10 EGCDRO CC(C)[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771063303 1303355555 /nfs/dbraw/zinc/35/55/55/1303355555.db2.gz DZUPANCVPDKOTO-XJKSGUPXSA-N 1 0 338.879 3.418 20 10 EGCDRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000886228601 1303404006 /nfs/dbraw/zinc/40/40/06/1303404006.db2.gz BVYNNEKTTATBPU-RTBURBONSA-N 1 0 327.424 3.079 20 10 EGCDRO CCC1(O)CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000771876486 1303454164 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346.519 3.233 20 10 EGCDRO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773300051 1303658551 /nfs/dbraw/zinc/65/85/51/1303658551.db2.gz XTZSYFYYFZGQOB-YJBOKZPZSA-N 1 0 348.535 3.479 20 10 EGCDRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773366693 1303668563 /nfs/dbraw/zinc/66/85/63/1303668563.db2.gz CYORKOXUQUEBFI-DLBZAZTESA-N 1 0 346.519 3.235 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775365840 1303947318 /nfs/dbraw/zinc/94/73/18/1303947318.db2.gz XYHQOFXBGIPHHG-CQSZACIVSA-N 1 0 339.418 3.323 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000775371451 1303948584 /nfs/dbraw/zinc/94/85/84/1303948584.db2.gz XYFVSCUHEJTXIW-LSDHHAIUSA-N 1 0 342.439 3.271 20 10 EGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](CC)c2cc(Cl)ccc2O)C1 ZINC000775555204 1303983310 /nfs/dbraw/zinc/98/33/10/1303983310.db2.gz TUGJLYXCTMTZOF-GXTWGEPZSA-N 1 0 326.824 3.317 20 10 EGCDRO CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Cl)ccc1O 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326.444 3.008 20 10 EGCDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775987840 1304075919 /nfs/dbraw/zinc/07/59/19/1304075919.db2.gz WMHSYIRZZXEIOO-HOTGVXAUSA-N 1 0 346.475 3.110 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2OC)[C@H]1Oc1ccccc1 ZINC000776007184 1304078330 /nfs/dbraw/zinc/07/83/30/1304078330.db2.gz MDYAJZYZYRUHFN-NSISKUIASA-N 1 0 343.423 3.115 20 10 EGCDRO CO[C@H](C[NH2+]Cc1cc(Br)cc(C)c1O)C(F)(F)F ZINC000776174306 1304106989 /nfs/dbraw/zinc/10/69/89/1304106989.db2.gz LWMIVDAJGSYJMG-SNVBAGLBSA-N 1 0 342.155 3.130 20 10 EGCDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776217961 1304116018 /nfs/dbraw/zinc/11/60/18/1304116018.db2.gz CSYMZIQHCGAQCI-QMTHXVAHSA-N 1 0 330.266 3.350 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000776254462 1304122416 /nfs/dbraw/zinc/12/24/16/1304122416.db2.gz WSTFUIQFBCIOCY-OAHLLOKOSA-N 1 0 341.329 3.243 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCOCC2)ccc1N1CCCCC1 ZINC000776498264 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COc1ccc(C2(C[NH2+]Cc3cc4c(cc3O)OCO4)CCC2)cc1 ZINC000784657354 1305268943 /nfs/dbraw/zinc/26/89/43/1305268943.db2.gz WVWUICWBBGDNCC-UHFFFAOYSA-N 1 0 341.407 3.341 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OCC1CC1 ZINC000785096433 1305312310 /nfs/dbraw/zinc/31/23/10/1305312310.db2.gz QKNYUIQWNXTGGW-OAHLLOKOSA-N 1 0 338.835 3.146 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O ZINC000785540474 1305373489 /nfs/dbraw/zinc/37/34/89/1305373489.db2.gz JXRUGXSNELNRQV-KANYHAFZSA-N 1 0 325.836 3.230 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)c(O)c1OC ZINC000892740682 1305532746 /nfs/dbraw/zinc/53/27/46/1305532746.db2.gz PMWJMSYXTNEXAB-KRWDZBQOSA-N 1 0 344.455 3.110 20 10 EGCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(OC)c(OC)c2O)o1 ZINC000892956864 1305626203 /nfs/dbraw/zinc/62/62/03/1305626203.db2.gz YSSAUNWDYAYHCV-CQSZACIVSA-N 1 0 335.400 3.042 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1O ZINC000786958066 1305666115 /nfs/dbraw/zinc/66/61/15/1305666115.db2.gz LNSACYKQQDBSTN-ZDUSSCGKSA-N 1 0 325.455 3.098 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000787333052 1305733571 /nfs/dbraw/zinc/73/35/71/1305733571.db2.gz VAVWDUWBYCMFDC-HXUWFJFHSA-N 1 0 341.499 3.166 20 10 EGCDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000787436441 1305745172 /nfs/dbraw/zinc/74/51/72/1305745172.db2.gz BKHYUXUIPXRJBN-NRFANRHFSA-N 1 0 339.435 3.232 20 10 EGCDRO CCC(O)(CC)CC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000788077297 1305860602 /nfs/dbraw/zinc/86/06/02/1305860602.db2.gz LNRLDBUSGUBELR-UHFFFAOYSA-N 1 0 346.265 3.194 20 10 EGCDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000893403155 1305875144 /nfs/dbraw/zinc/87/51/44/1305875144.db2.gz RJGUVFDDSBDJNK-RDJZCZTQSA-N 1 0 337.460 3.483 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c(O)c1OC ZINC000893572672 1305974327 /nfs/dbraw/zinc/97/43/27/1305974327.db2.gz SMUFJFQLXNJCDS-CJNGLKHVSA-N 1 0 328.412 3.388 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788601299 1305979403 /nfs/dbraw/zinc/97/94/03/1305979403.db2.gz HWKIBNZXZDYNTR-OAHLLOKOSA-N 1 0 326.440 3.262 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000893985265 1306163481 /nfs/dbraw/zinc/16/34/81/1306163481.db2.gz ZWFLTPKAUQMOKV-LLVKDONJSA-N 1 0 342.386 3.017 20 10 EGCDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC000789974922 1306240028 /nfs/dbraw/zinc/24/00/28/1306240028.db2.gz KSMWQXQEXDDCAP-LBPRGKRZSA-N 1 0 346.402 3.096 20 10 EGCDRO COC(=O)c1[nH]c2ccccc2c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000894159594 1306253218 /nfs/dbraw/zinc/25/32/18/1306253218.db2.gz FPEIFDAFEARWCM-UHFFFAOYSA-N 1 0 337.423 3.310 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C2CCN(c3ccccc3)CC2)c1O ZINC000894200938 1306273487 /nfs/dbraw/zinc/27/34/87/1306273487.db2.gz SIBITOULKJNRJJ-UHFFFAOYSA-N 1 0 326.440 3.468 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3N(C)CCCC3(C)C)CC2)cc1 ZINC000790499694 1306339348 /nfs/dbraw/zinc/33/93/48/1306339348.db2.gz YPFOXCLGYZGCET-HXUWFJFHSA-N 1 0 345.531 3.374 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CC(=O)Nc2c(C)cccc2C)c1O ZINC000894385833 1306371423 /nfs/dbraw/zinc/37/14/23/1306371423.db2.gz ZGXPXKTUUMIFKP-UHFFFAOYSA-N 1 0 328.412 3.054 20 10 EGCDRO COC1CCN(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808700143 1317717099 /nfs/dbraw/zinc/71/70/99/1317717099.db2.gz CUYIHDDPMCLMNZ-CYBMUJFWSA-N 1 0 326.868 3.115 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000894533770 1308943555 /nfs/dbraw/zinc/94/35/55/1308943555.db2.gz PAFTYPLGINWEJM-QGZVFWFLSA-N 1 0 346.471 3.123 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c(O)c1OC ZINC000894591409 1308969488 /nfs/dbraw/zinc/96/94/88/1308969488.db2.gz DQQDBWDALDAXBR-GTNSWQLSSA-N 1 0 349.452 3.263 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1O ZINC000894659988 1309007849 /nfs/dbraw/zinc/00/78/49/1309007849.db2.gz GRFMMEBCEJKWCF-HXUWFJFHSA-N 1 0 327.424 3.023 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1O ZINC000894814614 1309085361 /nfs/dbraw/zinc/08/53/61/1309085361.db2.gz YRQDNLCEXCWMRR-OAHLLOKOSA-N 1 0 344.430 3.464 20 10 EGCDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c(O)c1OC ZINC000894920506 1309128018 /nfs/dbraw/zinc/12/80/18/1309128018.db2.gz RDGHKEKUKLAIGC-SFHVURJKSA-N 1 0 335.444 3.046 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(O)c(F)c3)C2)cc1 ZINC000895007223 1309154914 /nfs/dbraw/zinc/15/49/14/1309154914.db2.gz ZNCNTSPTEVKMOW-HNNXBMFYSA-N 1 0 330.403 3.156 20 10 EGCDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792886091 1309251526 /nfs/dbraw/zinc/25/15/26/1309251526.db2.gz YOWLTYXUAGLBND-HNNXBMFYSA-N 1 0 329.410 3.345 20 10 EGCDRO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000792979054 1309275639 /nfs/dbraw/zinc/27/56/39/1309275639.db2.gz FNSVZMSHEUJCAC-COXVUDFISA-N 1 0 338.879 3.025 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c(C(F)(F)F)c1 ZINC000793013527 1309280400 /nfs/dbraw/zinc/28/04/00/1309280400.db2.gz RBLBXSGQNBMFOQ-MQMHXKEQSA-N 1 0 330.394 3.412 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c(C(F)(F)F)c1 ZINC000793013529 1309281202 /nfs/dbraw/zinc/28/12/02/1309281202.db2.gz RBLBXSGQNBMFOQ-XBXGTLAGSA-N 1 0 330.394 3.412 20 10 EGCDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075419 1309291970 /nfs/dbraw/zinc/29/19/70/1309291970.db2.gz CTICHNJOHBRYGB-NEPJUHHUSA-N 1 0 346.393 3.449 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC2CCC2)ccc1N1CCCCC1 ZINC000793321916 1309345518 /nfs/dbraw/zinc/34/55/18/1309345518.db2.gz MAFKAAULFZNUFB-KRWDZBQOSA-N 1 0 347.459 3.226 20 10 EGCDRO COCCC1([NH2+]Cc2cc(Br)cc(OC)c2O)CCC1 ZINC000793330046 1309348539 /nfs/dbraw/zinc/34/85/39/1309348539.db2.gz UNGMNSUFLODEFS-UHFFFAOYSA-N 1 0 344.249 3.212 20 10 EGCDRO COc1ccc(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)c(O)c1 ZINC000793389456 1309362057 /nfs/dbraw/zinc/36/20/57/1309362057.db2.gz YWBHGHVMFBNWMA-UHFFFAOYSA-N 1 0 331.803 3.231 20 10 EGCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(C)ccc3O)C2)cc1F ZINC000895502327 1309377179 /nfs/dbraw/zinc/37/71/79/1309377179.db2.gz BCUIPVRVPCPDHB-HNNXBMFYSA-N 1 0 344.386 3.131 20 10 EGCDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000793598731 1309412782 /nfs/dbraw/zinc/41/27/82/1309412782.db2.gz CILYCHXMXQZNLZ-LLVKDONJSA-N 1 0 328.840 3.439 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000795290248 1309716919 /nfs/dbraw/zinc/71/69/19/1309716919.db2.gz RJNZQHDCQRBMLR-HNNXBMFYSA-N 1 0 337.847 3.497 20 10 EGCDRO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1O)c1cnn(C)c1 ZINC000897079963 1310169945 /nfs/dbraw/zinc/16/99/45/1310169945.db2.gz MTTBELPAAIISAX-HNNXBMFYSA-N 1 0 338.249 3.375 20 10 EGCDRO Oc1c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)ccc2ccccc21 ZINC000897257985 1310249205 /nfs/dbraw/zinc/24/92/05/1310249205.db2.gz FSRFMXGFNOGVTA-QGZVFWFLSA-N 1 0 327.424 3.051 20 10 EGCDRO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000798494550 1310371609 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EGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000898449717 1310742190 /nfs/dbraw/zinc/74/21/90/1310742190.db2.gz JMAOGFLGMLVERO-IHPCNDPISA-N 1 0 333.520 3.149 20 10 EGCDRO CC(C)N(CC1CC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899096420 1310932521 /nfs/dbraw/zinc/93/25/21/1310932521.db2.gz UEOLUBQFVIBJIY-IBGZPJMESA-N 1 0 346.519 3.185 20 10 EGCDRO COCc1csc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000824534485 1320263457 /nfs/dbraw/zinc/26/34/57/1320263457.db2.gz DWBHBGDMVOXWHD-UHFFFAOYSA-N 1 0 346.496 3.363 20 10 EGCDRO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@@H](C)C2)c1O ZINC000824977455 1320301303 /nfs/dbraw/zinc/30/13/03/1320301303.db2.gz MTMSTMAKOHBAOE-QGZVFWFLSA-N 1 0 340.467 3.355 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1Cl ZINC000825353055 1320331681 /nfs/dbraw/zinc/33/16/81/1320331681.db2.gz KXTGKNSHRVOMGE-CQSZACIVSA-N 1 0 325.836 3.172 20 10 EGCDRO COc1ccc(N2CC[NH+](C[C@@H](OC)c3ccccc3)CC2)cc1F ZINC000801926235 1316966951 /nfs/dbraw/zinc/96/69/51/1316966951.db2.gz PIRMAAFMNGXRPZ-HXUWFJFHSA-N 1 0 344.430 3.344 20 10 EGCDRO CSC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC000858146633 1328695925 /nfs/dbraw/zinc/69/59/25/1328695925.db2.gz JOMYFZJJCURJKX-UHFFFAOYSA-N 1 0 330.444 3.033 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3sccc3C)C2)cc1C ZINC001019944166 1317469564 /nfs/dbraw/zinc/46/95/64/1317469564.db2.gz QCEQBLDQFSYBFT-WKILWMFISA-N 1 0 344.480 3.424 20 10 EGCDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000806177630 1317470178 /nfs/dbraw/zinc/47/01/78/1317470178.db2.gz DVHDIYJZPJJAOM-CQSZACIVSA-N 1 0 336.863 3.174 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccccc3C)C2)cc1C ZINC001019954450 1317474664 /nfs/dbraw/zinc/47/46/64/1317474664.db2.gz UHWLMAYDZUNPEI-IYARVYRRSA-N 1 0 338.451 3.363 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1F ZINC000858178679 1328703991 /nfs/dbraw/zinc/70/39/91/1328703991.db2.gz PFYHAUHKYCYYHY-AWEZNQCLSA-N 1 0 338.373 3.036 20 10 EGCDRO Cc1cccc2nc(CC[NH2+]Cc3cc(F)c(N(C)C)cc3F)cn21 ZINC000858184465 1328705872 /nfs/dbraw/zinc/70/58/72/1328705872.db2.gz NEXKILNLLIXCGL-UHFFFAOYSA-N 1 0 344.409 3.319 20 10 EGCDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000807441344 1317566101 /nfs/dbraw/zinc/56/61/01/1317566101.db2.gz GFNQFFRXRLGBJN-GDBMZVCRSA-N 1 0 345.443 3.256 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3C=CC=CC=C3)C2)cc1C ZINC001020203124 1317592740 /nfs/dbraw/zinc/59/27/40/1317592740.db2.gz DPGOBCFGMVAROY-WGSAOQKQSA-N 1 0 338.451 3.039 20 10 EGCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000808218321 1317646204 /nfs/dbraw/zinc/64/62/04/1317646204.db2.gz ODTDGQKSOBZNFZ-INIZCTEOSA-N 1 0 326.440 3.284 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1F ZINC000808431194 1317676424 /nfs/dbraw/zinc/67/64/24/1317676424.db2.gz PCFYJACTSMSDDE-OAHLLOKOSA-N 1 0 336.838 3.411 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCOCC1 ZINC000903448735 1317702386 /nfs/dbraw/zinc/70/23/86/1317702386.db2.gz RPSKHJIXKZIWBA-WOJBJXKFSA-N 1 0 333.520 3.150 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1O ZINC000808680819 1317715888 /nfs/dbraw/zinc/71/58/88/1317715888.db2.gz PSOXYCXBYCBGEA-WBMJQRKESA-N 1 0 349.862 3.271 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)c1O ZINC000808690686 1317716324 /nfs/dbraw/zinc/71/63/24/1317716324.db2.gz BMWPOSRCIPBYFF-RDBSUJKOSA-N 1 0 326.868 3.114 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)ccc1N1CCOCC1 ZINC000809729701 1317881070 /nfs/dbraw/zinc/88/10/70/1317881070.db2.gz XGVNLJKTVPTSIZ-IBGZPJMESA-N 1 0 341.430 3.394 20 10 EGCDRO COc1cccc(O)c1CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000809736388 1317884361 /nfs/dbraw/zinc/88/43/61/1317884361.db2.gz SAXXQXQIDYTTRR-UHFFFAOYSA-N 1 0 332.419 3.104 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[NH+]2CCC1CC2 ZINC000809743200 1317886944 /nfs/dbraw/zinc/88/69/44/1317886944.db2.gz UEWWAGSSYDSJJB-UHFFFAOYSA-N 1 0 338.451 3.251 20 10 EGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2cccc(C)c2O)c1 ZINC000809751700 1317890363 /nfs/dbraw/zinc/89/03/63/1317890363.db2.gz IRCBVRYGSBMQLS-UHFFFAOYSA-N 1 0 328.456 3.273 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000809750219 1317890488 /nfs/dbraw/zinc/89/04/88/1317890488.db2.gz WHCXWOGYVQIZOX-HNNXBMFYSA-N 1 0 335.444 3.345 20 10 EGCDRO Fc1cc(C[N@@H+]2CCCc3occc3C2)ccc1N1CCOCC1 ZINC000809791924 1317901932 /nfs/dbraw/zinc/90/19/32/1317901932.db2.gz BVHIXWQRBFIDPC-UHFFFAOYSA-N 1 0 330.403 3.204 20 10 EGCDRO Cc1cc(C[NH2+]Cc2cnc(N(C)C)nc2)c(C)n1-c1ccccc1 ZINC000858293249 1328731022 /nfs/dbraw/zinc/73/10/22/1328731022.db2.gz KZSUXTHJZUFALJ-UHFFFAOYSA-N 1 0 335.455 3.240 20 10 EGCDRO CC[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810212324 1317978056 /nfs/dbraw/zinc/97/80/56/1317978056.db2.gz QGZAUNKEVPWKGO-CYBMUJFWSA-N 1 0 332.366 3.320 20 10 EGCDRO CC[C@H]([NH2+]CCCn1cncn1)c1ccc(C(F)(F)F)cc1O ZINC000810231596 1317980816 /nfs/dbraw/zinc/98/08/16/1317980816.db2.gz HGEFMCWSQPZRNU-ZDUSSCGKSA-N 1 0 328.338 3.134 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810227683 1317981255 /nfs/dbraw/zinc/98/12/55/1317981255.db2.gz ZTDGCBMQQSIIGX-RISCZKNCSA-N 1 0 342.361 3.215 20 10 EGCDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@@H](C2OCCO2)C1)CCCC3 ZINC000905695157 1317981705 /nfs/dbraw/zinc/98/17/05/1317981705.db2.gz XWWMGGAWMGBENT-CYBMUJFWSA-N 1 0 343.423 3.212 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810237094 1317982708 /nfs/dbraw/zinc/98/27/08/1317982708.db2.gz FDMGJWUDJHQNLU-XUJVJEKNSA-N 1 0 347.377 3.097 20 10 EGCDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810244939 1317985119 /nfs/dbraw/zinc/98/51/19/1317985119.db2.gz KVXZULACAQQOEI-HOTGVXAUSA-N 1 0 337.483 3.042 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000811512306 1318190248 /nfs/dbraw/zinc/19/02/48/1318190248.db2.gz LEAQONHJQQIIGZ-HXUWFJFHSA-N 1 0 325.408 3.371 20 10 EGCDRO C/C=C(\C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000959957108 1318288697 /nfs/dbraw/zinc/28/86/97/1318288697.db2.gz XJZSVTFLKAMPPU-IQXODGKNSA-N 1 0 330.472 3.441 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000812514125 1318404459 /nfs/dbraw/zinc/40/44/59/1318404459.db2.gz PTHOJVNDTKXHRM-INIZCTEOSA-N 1 0 335.492 3.433 20 10 EGCDRO C[NH+]1CCC(CC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000813480986 1318575627 /nfs/dbraw/zinc/57/56/27/1318575627.db2.gz RGIVWINWOPBYNT-UHFFFAOYSA-N 1 0 342.439 3.246 20 10 EGCDRO OC[C@@H]([NH2+]Cc1ccccc1O)c1ccc(Br)c(F)c1 ZINC000813791477 1318633838 /nfs/dbraw/zinc/63/38/38/1318633838.db2.gz BOZDZFXCFMHAAX-CQSZACIVSA-N 1 0 340.192 3.117 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C)oc3C)C2)cc1C ZINC001021825917 1318701075 /nfs/dbraw/zinc/70/10/75/1318701075.db2.gz NDFOQWNGMAWZRH-CALCHBBNSA-N 1 0 342.439 3.264 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC=CCC3)C2)cc1C ZINC001021829991 1318703420 /nfs/dbraw/zinc/70/34/20/1318703420.db2.gz ZWLVRRVVEIGFAZ-OKZBNKHCSA-N 1 0 328.456 3.097 20 10 EGCDRO COc1ccncc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000814298525 1318718943 /nfs/dbraw/zinc/71/89/43/1318718943.db2.gz VSWYTRHPODKSOB-UHFFFAOYSA-N 1 0 339.361 3.465 20 10 EGCDRO Cc1cc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)ccc1N(C)C ZINC000815051378 1318874889 /nfs/dbraw/zinc/87/48/89/1318874889.db2.gz REAFJEUCUTZBOV-UHFFFAOYSA-N 1 0 335.492 3.408 20 10 EGCDRO Cc1cc(C[N@@H+](CC(N)=O)[C@H](C)c2ccccc2)ccc1N(C)C ZINC000815073919 1318883672 /nfs/dbraw/zinc/88/36/72/1318883672.db2.gz ZDOQGCFVPUKWSA-MRXNPFEDSA-N 1 0 325.456 3.110 20 10 EGCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000815116430 1318898590 /nfs/dbraw/zinc/89/85/90/1318898590.db2.gz MTNYGQZXGRLTIB-SFHVURJKSA-N 1 0 333.476 3.243 20 10 EGCDRO CCOCC(C)(C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000815147878 1318913589 /nfs/dbraw/zinc/91/35/89/1318913589.db2.gz HKNJXEJFPDOBFU-UHFFFAOYSA-N 1 0 332.238 3.068 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C)CCCC3)C2)cc1C ZINC001022508687 1318971751 /nfs/dbraw/zinc/97/17/51/1318971751.db2.gz XKZIKIYPSUDUNQ-CALCHBBNSA-N 1 0 330.472 3.321 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)(C)O ZINC000815651790 1319037037 /nfs/dbraw/zinc/03/70/37/1319037037.db2.gz DKAPXQCAECYVDP-GUYCJALGSA-N 1 0 340.895 3.377 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1O ZINC000816631223 1319197298 /nfs/dbraw/zinc/19/72/98/1319197298.db2.gz KFOKCJSEQUVEIS-IBGZPJMESA-N 1 0 327.424 3.394 20 10 EGCDRO CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817936042 1319464953 /nfs/dbraw/zinc/46/49/53/1319464953.db2.gz MJGGXIXULSSUEF-AWEZNQCLSA-N 1 0 346.302 3.035 20 10 EGCDRO COc1ccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(OC)c1 ZINC000817938027 1319466006 /nfs/dbraw/zinc/46/60/06/1319466006.db2.gz BRNPMBVXZCQYNB-LIRRHRJNSA-N 1 0 343.471 3.120 20 10 EGCDRO COC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000817939282 1319466211 /nfs/dbraw/zinc/46/62/11/1319466211.db2.gz AYKCILYNDBYFCA-RTBURBONSA-N 1 0 347.890 3.383 20 10 EGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817938298 1319466465 /nfs/dbraw/zinc/46/64/65/1319466465.db2.gz IJRVEYUGQHCNOP-UGSOOPFHSA-N 1 0 328.416 3.011 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2c1c(F)ccc2O ZINC000817939862 1319468647 /nfs/dbraw/zinc/46/86/47/1319468647.db2.gz CSNPIYXYMYHSDE-OAUYIBNBSA-N 1 0 343.446 3.435 20 10 EGCDRO Nc1ccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000817956377 1319476124 /nfs/dbraw/zinc/47/61/24/1319476124.db2.gz XRTYZNDNQBOIBD-SFHVURJKSA-N 1 0 325.412 3.330 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817954844 1319476778 /nfs/dbraw/zinc/47/67/78/1319476778.db2.gz LEWBJYGGQCKEAA-HNAYVOBHSA-N 1 0 343.446 3.013 20 10 EGCDRO CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817958158 1319477062 /nfs/dbraw/zinc/47/70/62/1319477062.db2.gz IKRVQEJFSUVFNB-QPUJVOFHSA-N 1 0 335.673 3.442 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817961193 1319477861 /nfs/dbraw/zinc/47/78/61/1319477861.db2.gz VGIPOMKKYVVBOH-IMSIIYSGSA-N 1 0 345.256 3.462 20 10 EGCDRO CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817962383 1319478201 /nfs/dbraw/zinc/47/82/01/1319478201.db2.gz IYDULDZULBHKNO-HUUCEWRRSA-N 1 0 339.911 3.345 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817969508 1319480806 /nfs/dbraw/zinc/48/08/06/1319480806.db2.gz VRZHQLDIFZVWPV-NXEZZACHSA-N 1 0 331.229 3.087 20 10 EGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000817975824 1319482621 /nfs/dbraw/zinc/48/26/21/1319482621.db2.gz CVAFPKAPGAIMDW-LNLFQRSKSA-N 1 0 328.431 3.356 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000818220840 1319521330 /nfs/dbraw/zinc/52/13/30/1319521330.db2.gz MVRFZUYBZGSAHE-INIZCTEOSA-N 1 0 341.411 3.220 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(C)ccc3O)C2)cc1 ZINC000818221889 1319523037 /nfs/dbraw/zinc/52/30/37/1319523037.db2.gz OWPMBDBHTUGHJP-MRXNPFEDSA-N 1 0 326.440 3.325 20 10 EGCDRO O=C(CCCc1ccccc1)NCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000818352713 1319533375 /nfs/dbraw/zinc/53/33/75/1319533375.db2.gz OKRUPDWASPKIFM-SFHVURJKSA-N 1 0 338.451 3.108 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccccc3)C2)cc1C ZINC000961500523 1319620493 /nfs/dbraw/zinc/62/04/93/1319620493.db2.gz OEFXDPMWNNRVFL-UHFFFAOYSA-N 1 0 338.451 3.302 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000819373802 1319713075 /nfs/dbraw/zinc/71/30/75/1319713075.db2.gz CNZNGKDELAWXJL-MGPUTAFESA-N 1 0 330.447 3.454 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000918582495 1319977404 /nfs/dbraw/zinc/97/74/04/1319977404.db2.gz TUPQGONSWHFHHJ-WOJBJXKFSA-N 1 0 337.467 3.451 20 10 EGCDRO CCOC(=O)CN(Cc1cccc2cc[nH]c21)Cc1ccccc1O ZINC000822511274 1320091350 /nfs/dbraw/zinc/09/13/50/1320091350.db2.gz AIEMRHRXAWQZPU-UHFFFAOYSA-N 1 0 338.407 3.439 20 10 EGCDRO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000823855604 1320211794 /nfs/dbraw/zinc/21/17/94/1320211794.db2.gz YXZXRUYRHCXMJW-UHOFOFEASA-N 1 0 340.920 3.351 20 10 EGCDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000824085947 1320227433 /nfs/dbraw/zinc/22/74/33/1320227433.db2.gz REYGDHXKQKVRQM-IAGOWNOFSA-N 1 0 329.488 3.057 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000824237662 1320241023 /nfs/dbraw/zinc/24/10/23/1320241023.db2.gz VAPNAYHKDIOMLX-APWZRJJASA-N 1 0 328.481 3.199 20 10 EGCDRO COc1nccc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000824548176 1320264292 /nfs/dbraw/zinc/26/42/92/1320264292.db2.gz BBBDHNPCAVAAFZ-UHFFFAOYSA-N 1 0 336.439 3.491 20 10 EGCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000824701891 1320278584 /nfs/dbraw/zinc/27/85/84/1320278584.db2.gz DONZMOWNPPLPJS-MSOLQXFVSA-N 1 0 325.408 3.491 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000824738740 1320281410 /nfs/dbraw/zinc/28/14/10/1320281410.db2.gz QOGCUAFYTLYSCI-UHFFFAOYSA-N 1 0 342.443 3.253 20 10 EGCDRO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)c(OC)c1 ZINC000824733615 1320282127 /nfs/dbraw/zinc/28/21/27/1320282127.db2.gz VYYYYNOZJKXWPD-CQSZACIVSA-N 1 0 345.439 3.447 20 10 EGCDRO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000824913532 1320296034 /nfs/dbraw/zinc/29/60/34/1320296034.db2.gz AGSQBYCGGGFTDQ-UHFFFAOYSA-N 1 0 329.828 3.164 20 10 EGCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000825104361 1320310289 /nfs/dbraw/zinc/31/02/89/1320310289.db2.gz VBHWHNHWMRQHHQ-MOPGFXCFSA-N 1 0 348.462 3.052 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1nccn1C(F)F ZINC000825155498 1320315378 /nfs/dbraw/zinc/31/53/78/1320315378.db2.gz GDUBWUNFLYLBJU-UHFFFAOYSA-N 1 0 332.148 3.036 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000825284646 1320324016 /nfs/dbraw/zinc/32/40/16/1320324016.db2.gz VZZSJNRAYWYLSG-NDMJEZRESA-N 1 0 330.350 3.106 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)cc1Cl ZINC000825287069 1320324161 /nfs/dbraw/zinc/32/41/61/1320324161.db2.gz IKIIOGRLNRTFQX-UHFFFAOYSA-N 1 0 346.858 3.388 20 10 EGCDRO CCOc1cccc(C[N@H+](CCO)Cc2cc(C)c(C)cc2O)c1 ZINC000825299091 1320324598 /nfs/dbraw/zinc/32/45/98/1320324598.db2.gz BKBDGFFOOJUIKE-UHFFFAOYSA-N 1 0 329.440 3.402 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC000825325319 1320327733 /nfs/dbraw/zinc/32/77/33/1320327733.db2.gz AONULZGEBMBUCI-HKUYNNGSSA-N 1 0 342.487 3.276 20 10 EGCDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000825405263 1320335274 /nfs/dbraw/zinc/33/52/74/1320335274.db2.gz FNRPRDNMBDZKEL-GFCCVEGCSA-N 1 0 342.277 3.433 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1Cl ZINC000825501863 1320343201 /nfs/dbraw/zinc/34/32/01/1320343201.db2.gz SKNQXLXGDJVGJB-AWEZNQCLSA-N 1 0 325.836 3.329 20 10 EGCDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(Br)cc2O)C1 ZINC000825935597 1320372292 /nfs/dbraw/zinc/37/22/92/1320372292.db2.gz YLLGZRMJPNCKGK-IUODEOHRSA-N 1 0 339.277 3.071 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000826065012 1320381733 /nfs/dbraw/zinc/38/17/33/1320381733.db2.gz SKDQDFFFZMMBHQ-CYBMUJFWSA-N 1 0 328.275 3.482 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(CC2)OCCO3)ccc1N1CCCCC1 ZINC000827410875 1320451699 /nfs/dbraw/zinc/45/16/99/1320451699.db2.gz ACCAZFNDJJDPEV-UHFFFAOYSA-N 1 0 330.472 3.324 20 10 EGCDRO Cc1cccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1O ZINC000839146344 1320880183 /nfs/dbraw/zinc/88/01/83/1320880183.db2.gz DPLGGFAHVDXFCA-UHFFFAOYSA-N 1 0 348.393 3.105 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000839644086 1320950236 /nfs/dbraw/zinc/95/02/36/1320950236.db2.gz NVKITSZQKJWWDO-NRFANRHFSA-N 1 0 336.435 3.363 20 10 EGCDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(C)cc(OC)c1O)CCO2 ZINC000840131907 1321036525 /nfs/dbraw/zinc/03/65/25/1321036525.db2.gz FERDQHOAIQGLCH-UHFFFAOYSA-N 1 0 329.396 3.112 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@H]3CCN(C(C)C)C3)c2c1 ZINC000840152800 1321040223 /nfs/dbraw/zinc/04/02/23/1321040223.db2.gz OEOWZHCHLBLEHQ-INIZCTEOSA-N 1 0 328.456 3.469 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840863341 1321164356 /nfs/dbraw/zinc/16/43/56/1321164356.db2.gz HXVQYYONUOVTOU-DZGCQCFKSA-N 1 0 344.411 3.172 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c(O)c1 ZINC000840881915 1321169352 /nfs/dbraw/zinc/16/93/52/1321169352.db2.gz LEUHXWKJAIWGRN-CXAGYDPISA-N 1 0 328.387 3.296 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000840890804 1321171915 /nfs/dbraw/zinc/17/19/15/1321171915.db2.gz OPPHRJIRRASYLA-WDEREUQCSA-N 1 0 343.265 3.027 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000840927782 1321178912 /nfs/dbraw/zinc/17/89/12/1321178912.db2.gz CLTRYIHSRQOCJB-UHFFFAOYSA-N 1 0 337.467 3.478 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000840929811 1321179756 /nfs/dbraw/zinc/17/97/56/1321179756.db2.gz XXWCTGHBRYVUJV-UHFFFAOYSA-N 1 0 325.456 3.053 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000840975819 1321192533 /nfs/dbraw/zinc/19/25/33/1321192533.db2.gz LWKJOTAGEGIGSJ-UONOGXRCSA-N 1 0 333.501 3.292 20 10 EGCDRO CN(C)c1ccc(N2CCC([NH2+]CCc3ccc(N)cc3)CC2)cc1 ZINC000841036881 1321205977 /nfs/dbraw/zinc/20/59/77/1321205977.db2.gz WYQJFJJRBIGWLN-UHFFFAOYSA-N 1 0 338.499 3.136 20 10 EGCDRO Nc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000841302066 1321250843 /nfs/dbraw/zinc/25/08/43/1321250843.db2.gz KNSBHGRHTODAMH-UHFFFAOYSA-N 1 0 330.476 3.389 20 10 EGCDRO CN(C)c1ccc(CN(C(=O)Nc2ccc(C[NH3+])cc2)C2CC2)cc1 ZINC000841322363 1321256387 /nfs/dbraw/zinc/25/63/87/1321256387.db2.gz LZHHGYJNIVMMFV-UHFFFAOYSA-N 1 0 338.455 3.408 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c1O ZINC000841688643 1321297363 /nfs/dbraw/zinc/29/73/63/1321297363.db2.gz KSMVFYKPEHTYQX-UHFFFAOYSA-N 1 0 333.350 3.253 20 10 EGCDRO CC[NH2+]CC1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)CC1 ZINC000841719368 1321301803 /nfs/dbraw/zinc/30/18/03/1321301803.db2.gz KJYOMSLACLAYJX-UHFFFAOYSA-N 1 0 346.519 3.064 20 10 EGCDRO CCCN(C(=O)NCc1ccc(N(CC)CC)cc1)C1CC[NH2+]CC1 ZINC000841719921 1321302166 /nfs/dbraw/zinc/30/21/66/1321302166.db2.gz QUIUIZGTCBCPFT-UHFFFAOYSA-N 1 0 346.519 3.206 20 10 EGCDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841746314 1321305303 /nfs/dbraw/zinc/30/53/03/1321305303.db2.gz YLTSSQVSUZYPML-GFCCVEGCSA-N 1 0 348.830 3.021 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Cl)cc1O ZINC000841744445 1321305651 /nfs/dbraw/zinc/30/56/51/1321305651.db2.gz HOHYTXFBKCICFH-CYBMUJFWSA-N 1 0 347.846 3.128 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(Br)cc1O ZINC000841764781 1321308978 /nfs/dbraw/zinc/30/89/78/1321308978.db2.gz ILKAOWQKHIHWJP-MWLCHTKSSA-N 1 0 349.219 3.145 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000841952960 1321331840 /nfs/dbraw/zinc/33/18/40/1321331840.db2.gz JRQINOIFLBUYDL-DOTOQJQBSA-N 1 0 333.476 3.221 20 10 EGCDRO C[N@H+](Cc1c(O)ccc2ccncc21)C[C@]1(O)CCc2ccccc21 ZINC000842623169 1321408138 /nfs/dbraw/zinc/40/81/38/1321408138.db2.gz KJOZCMSYCQAULB-OAQYLSRUSA-N 1 0 334.419 3.206 20 10 EGCDRO CC[C@H]([NH2+]Cc1c(O)cccc1Cl)C(=O)NCc1cccs1 ZINC000842749316 1321427715 /nfs/dbraw/zinc/42/77/15/1321427715.db2.gz WUSFFUMVVMCBOP-AWEZNQCLSA-N 1 0 338.860 3.292 20 10 EGCDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000859258994 1328956422 /nfs/dbraw/zinc/95/64/22/1328956422.db2.gz ZDFNGRDVALFSSE-JKSUJKDBSA-N 1 0 325.456 3.281 20 10 EGCDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843052887 1321462009 /nfs/dbraw/zinc/46/20/09/1321462009.db2.gz XOYDWZLCIFUOSM-RDJZCZTQSA-N 1 0 346.475 3.144 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843055139 1321463282 /nfs/dbraw/zinc/46/32/82/1321463282.db2.gz SWQRKIUJUFSZOC-UHFFFAOYSA-N 1 0 327.266 3.165 20 10 EGCDRO Cc1cc(Br)cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000843118992 1321473101 /nfs/dbraw/zinc/47/31/01/1321473101.db2.gz RXUXFJJLRWBVDM-MRXNPFEDSA-N 1 0 339.277 3.039 20 10 EGCDRO Cc1cc(Cl)ccc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349717 1321503206 /nfs/dbraw/zinc/50/32/06/1321503206.db2.gz JOXNUICJXGKSOA-UHFFFAOYSA-N 1 0 343.858 3.498 20 10 EGCDRO CCc1ccccc1NC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350111 1321504191 /nfs/dbraw/zinc/50/41/91/1321504191.db2.gz JETJTZCYQFKLJX-HNNXBMFYSA-N 1 0 337.467 3.488 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1Cl ZINC000843351551 1321504248 /nfs/dbraw/zinc/50/42/48/1321504248.db2.gz OMXGKHVXHFSNRC-UHFFFAOYSA-N 1 0 329.831 3.190 20 10 EGCDRO CCc1ccccc1NC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350113 1321504306 /nfs/dbraw/zinc/50/43/06/1321504306.db2.gz JETJTZCYQFKLJX-OAHLLOKOSA-N 1 0 337.467 3.488 20 10 EGCDRO COc1cccc(O)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000843416690 1321514859 /nfs/dbraw/zinc/51/48/59/1321514859.db2.gz KNYGJCZJDCWVJP-QWHCGFSZSA-N 1 0 338.448 3.182 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1 ZINC000843423019 1321516064 /nfs/dbraw/zinc/51/60/64/1321516064.db2.gz ZCXYGLNVLSSXBL-HXUWFJFHSA-N 1 0 327.424 3.057 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1O ZINC000844901638 1321656082 /nfs/dbraw/zinc/65/60/82/1321656082.db2.gz JLLJMABGPFOOPN-BBRMVZONSA-N 1 0 339.277 3.024 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000846169960 1321774008 /nfs/dbraw/zinc/77/40/08/1321774008.db2.gz HGHIFMOCWNGLGD-JNAXZKDPSA-N 1 0 327.424 3.218 20 10 EGCDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000847355853 1321865438 /nfs/dbraw/zinc/86/54/38/1321865438.db2.gz IBMXFPQEBSZFFE-IPELMVKDSA-N 1 0 344.503 3.130 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000847501343 1321875758 /nfs/dbraw/zinc/87/57/58/1321875758.db2.gz WHWGRYRDEAYPLI-UHFFFAOYSA-N 1 0 339.483 3.095 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(C(C)(C)C)c2)cc1 ZINC000848393607 1321957291 /nfs/dbraw/zinc/95/72/91/1321957291.db2.gz HUYPSVGLZYIOGT-LJQANCHMSA-N 1 0 339.483 3.480 20 10 EGCDRO CCc1cccc(C[NH2+]CCOc2cccc(NC(C)=O)c2)c1O ZINC000848895005 1322034530 /nfs/dbraw/zinc/03/45/30/1322034530.db2.gz JSKISOXDAUNFTO-UHFFFAOYSA-N 1 0 328.412 3.082 20 10 EGCDRO COC(=O)/C=C/c1ccc(C[NH2+]CCCSc2nccs2)o1 ZINC000848896979 1322035496 /nfs/dbraw/zinc/03/54/96/1322035496.db2.gz CJIJBSIUFZQHAN-AATRIKPKSA-N 1 0 338.454 3.194 20 10 EGCDRO CCc1cccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1O ZINC000848903380 1322040372 /nfs/dbraw/zinc/04/03/72/1322040372.db2.gz QXNHOLFMRNQKCG-INIZCTEOSA-N 1 0 331.378 3.480 20 10 EGCDRO CCc1cccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1O ZINC000848913094 1322042572 /nfs/dbraw/zinc/04/25/72/1322042572.db2.gz OAJRPTMTFMVWBH-LJQANCHMSA-N 1 0 326.440 3.133 20 10 EGCDRO CC(C)[N@H+](CCC(=O)NC1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000919648846 1322089251 /nfs/dbraw/zinc/08/92/51/1322089251.db2.gz XROUPXIZBADGCL-UHFFFAOYSA-N 1 0 331.504 3.412 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C[C@H](OC1CCCC1)C(F)(F)F)OCO2 ZINC000850356391 1322233915 /nfs/dbraw/zinc/23/39/15/1322233915.db2.gz VQJZWIUWGRJJOB-HNNXBMFYSA-N 1 0 347.333 3.101 20 10 EGCDRO Cc1ccc(F)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850405732 1322240145 /nfs/dbraw/zinc/24/01/45/1322240145.db2.gz BEACIWUXKAMRIY-UHFFFAOYSA-N 1 0 328.431 3.385 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCc4occc43)cc2)CC1 ZINC000850568412 1322269929 /nfs/dbraw/zinc/26/99/29/1322269929.db2.gz XBEZJIUEFVDKTO-IBGZPJMESA-N 1 0 326.440 3.408 20 10 EGCDRO CCCNC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921545689 1322347169 /nfs/dbraw/zinc/34/71/69/1322347169.db2.gz YNDGXTSFTFHNMS-UHFFFAOYSA-N 1 0 338.451 3.441 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)ccc1OC ZINC000922568289 1322559477 /nfs/dbraw/zinc/55/94/77/1322559477.db2.gz ZATDOWLQSQJDDZ-HXUWFJFHSA-N 1 0 347.430 3.368 20 10 EGCDRO Cc1cc(CC[NH2+][C@H](C)c2cc(CO)on2)c(C)n1-c1ccccc1 ZINC000924590941 1323066490 /nfs/dbraw/zinc/06/64/90/1323066490.db2.gz YQDJFTXKEAMFTF-OAHLLOKOSA-N 1 0 339.439 3.468 20 10 EGCDRO C[C@@H]1CN(CC[N@H+](Cc2ccco2)Cc2ccccc2O)C[C@H](C)O1 ZINC000851840165 1323099949 /nfs/dbraw/zinc/09/99/49/1323099949.db2.gz AUAKKYNRWBPYOP-CALCHBBNSA-N 1 0 344.455 3.097 20 10 EGCDRO C[N@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1O ZINC000851841894 1323100517 /nfs/dbraw/zinc/10/05/17/1323100517.db2.gz ZJAFQRWOSXLGKH-QGZVFWFLSA-N 1 0 328.437 3.327 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc2c1OCO2 ZINC000924749717 1323143814 /nfs/dbraw/zinc/14/38/14/1323143814.db2.gz KILDUHYSZXEVQJ-OAHLLOKOSA-N 1 0 340.423 3.103 20 10 EGCDRO CCN(C)c1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000852091877 1323144308 /nfs/dbraw/zinc/14/43/08/1323144308.db2.gz KYLPPBQMJKQSHZ-LJQANCHMSA-N 1 0 327.472 3.387 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1(Cl)CC1 ZINC000924760183 1323148121 /nfs/dbraw/zinc/14/81/21/1323148121.db2.gz OPZFTYHXTSXOLK-LBPRGKRZSA-N 1 0 326.843 3.036 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C3(CF)CC3)C2)cc1C ZINC001024147458 1323172353 /nfs/dbraw/zinc/17/23/53/1323172353.db2.gz IRSCZLDKPVJEND-QGZVFWFLSA-N 1 0 348.462 3.082 20 10 EGCDRO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924900810 1323205172 /nfs/dbraw/zinc/20/51/72/1323205172.db2.gz PJHACYIMMUKPIA-RBZFPXEDSA-N 1 0 342.414 3.116 20 10 EGCDRO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000852741570 1323234685 /nfs/dbraw/zinc/23/46/85/1323234685.db2.gz VYDWKWCIDXCKJS-GOSISDBHSA-N 1 0 344.842 3.466 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CC3CCC3)C2)cc1C ZINC001026753233 1325003263 /nfs/dbraw/zinc/00/32/63/1325003263.db2.gz FJPDBGDBRHGODG-GOSISDBHSA-N 1 0 330.472 3.132 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1 ZINC000854221816 1325230137 /nfs/dbraw/zinc/23/01/37/1325230137.db2.gz AIBPFFFAOBKMTH-BOFPYLFWSA-N 1 0 344.430 3.336 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(N)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000854218474 1325230389 /nfs/dbraw/zinc/23/03/89/1325230389.db2.gz UXYBBSKRHKWWDV-AWEZNQCLSA-N 1 0 329.419 3.095 20 10 EGCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)C4CCC4)C3)C2)cc1C ZINC000963477249 1325273947 /nfs/dbraw/zinc/27/39/47/1325273947.db2.gz WYQKJQBFYMLVGW-UHFFFAOYSA-N 1 0 342.483 3.321 20 10 EGCDRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)c(C)n1-c1ccccc1C ZINC000854722765 1325298525 /nfs/dbraw/zinc/29/85/25/1325298525.db2.gz KFVDCDGREGWYNP-UHFFFAOYSA-N 1 0 325.456 3.036 20 10 EGCDRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)c(C)n1-c1cccc(Cl)c1 ZINC000854722741 1325298913 /nfs/dbraw/zinc/29/89/13/1325298913.db2.gz IXSMHFSMCYIUSM-UHFFFAOYSA-N 1 0 345.874 3.381 20 10 EGCDRO CCOc1cncc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000856768181 1325521406 /nfs/dbraw/zinc/52/14/06/1325521406.db2.gz BLCYGLNLELXDOR-UHFFFAOYSA-N 1 0 341.455 3.248 20 10 EGCDRO CCOc1cncc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000856765466 1325521649 /nfs/dbraw/zinc/52/16/49/1325521649.db2.gz DJYSYBKBQUIAOO-UHFFFAOYSA-N 1 0 343.496 3.323 20 10 EGCDRO C[C@@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)NC(=O)OC(C)(C)C ZINC000856813022 1325530569 /nfs/dbraw/zinc/53/05/69/1325530569.db2.gz HJLZAKKCEQTHIV-ZDUSSCGKSA-N 1 0 339.455 3.285 20 10 EGCDRO C/C(=C/C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccs1 ZINC000856993199 1325552159 /nfs/dbraw/zinc/55/21/59/1325552159.db2.gz ABJQJOQCEINLKB-DVFVSVACSA-N 1 0 329.469 3.034 20 10 EGCDRO CCOc1cncc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)c1 ZINC000857049854 1325563568 /nfs/dbraw/zinc/56/35/68/1325563568.db2.gz WMUCLIATXBAYNN-UHFFFAOYSA-N 1 0 329.444 3.057 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1CO ZINC000857060996 1325565315 /nfs/dbraw/zinc/56/53/15/1325565315.db2.gz HSYSPIJYFYCPMI-QFBILLFUSA-N 1 0 341.451 3.422 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3c(C)noc3C)C2)cc1 ZINC000926609981 1327634460 /nfs/dbraw/zinc/63/44/60/1327634460.db2.gz BPNCRCOPMVSBTJ-XJKSGUPXSA-N 1 0 329.444 3.477 20 10 EGCDRO CC[C@@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000927079556 1327848734 /nfs/dbraw/zinc/84/87/34/1327848734.db2.gz GDTOQJBGBUHNBD-GXTWGEPZSA-N 1 0 344.249 3.001 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3C=CCC3)C2)cc1C ZINC000966889699 1328454373 /nfs/dbraw/zinc/45/43/73/1328454373.db2.gz RLMFODDOSUNZHR-FUHWJXTLSA-N 1 0 328.456 3.050 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cnc(C2CC2)o1)C[C@H]1CCCO1 ZINC000862213461 1329466420 /nfs/dbraw/zinc/46/64/20/1329466420.db2.gz QEBFRFFIGOZODS-MRXNPFEDSA-N 1 0 328.412 3.439 20 10 EGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(O)cccc1Br ZINC000862367174 1329478674 /nfs/dbraw/zinc/47/86/74/1329478674.db2.gz YKFSDYGDIXNGPP-DOMZBBRYSA-N 1 0 339.277 3.213 20 10 EGCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1C ZINC000862369050 1329478787 /nfs/dbraw/zinc/47/87/87/1329478787.db2.gz SGGSCPBJWYFGKL-LBPRGKRZSA-N 1 0 346.427 3.373 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000862518483 1329491931 /nfs/dbraw/zinc/49/19/31/1329491931.db2.gz UIJXJIBBSFFPMB-UHFFFAOYSA-N 1 0 337.423 3.204 20 10 EGCDRO C[C@@H]([NH3+])CN(C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000863651469 1329570476 /nfs/dbraw/zinc/57/04/76/1329570476.db2.gz JNGJZKRMLHWZJA-CYBMUJFWSA-N 1 0 340.309 3.218 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000866433387 1330111587 /nfs/dbraw/zinc/11/15/87/1330111587.db2.gz BVYJJMQCOVEAIN-IUODEOHRSA-N 1 0 341.381 3.188 20 10 EGCDRO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(Cl)cc1O ZINC000866433834 1330111591 /nfs/dbraw/zinc/11/15/91/1330111591.db2.gz ZZPFJMTWUZLQAB-QMMMGPOBSA-N 1 0 344.640 3.392 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c(O)c1C ZINC000866435774 1330111930 /nfs/dbraw/zinc/11/19/30/1330111930.db2.gz FXIBKLFLWPLPSJ-YPMHNXCESA-N 1 0 328.338 3.055 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c(O)c1 ZINC000866436728 1330112160 /nfs/dbraw/zinc/11/21/60/1330112160.db2.gz RAOLTDDXSXPBQX-WCQYABFASA-N 1 0 328.338 3.055 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3C=CCCC3)C2)cc1C ZINC000969063339 1336135441 /nfs/dbraw/zinc/13/54/41/1336135441.db2.gz JRPZYXPFUNRTBW-IEBWSBKVSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(CNC(=O)C3CC3)cc2)cc1C ZINC001034805788 1342770758 /nfs/dbraw/zinc/77/07/58/1342770758.db2.gz LMVWXGJSSXOXON-UHFFFAOYSA-N 1 0 338.451 3.320 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CC(C)(F)F)cc1C ZINC001035037553 1342891154 /nfs/dbraw/zinc/89/11/54/1342891154.db2.gz XFNKWYLKJRWRQK-OAHLLOKOSA-N 1 0 340.414 3.130 20 10 EGCDRO CCC1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001035038716 1342891777 /nfs/dbraw/zinc/89/17/77/1342891777.db2.gz MSYNMWVULMPWAP-QGZVFWFLSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3=CCCC3)C[C@H]2C)cc1C ZINC001035998033 1343307602 /nfs/dbraw/zinc/30/76/02/1343307602.db2.gz RDIDNRHVMKIAPD-VQIMIIECSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C(C)(F)F)cc1C ZINC001036926231 1343869503 /nfs/dbraw/zinc/86/95/03/1343869503.db2.gz VHOBRBUMZIKESZ-CABCVRRESA-N 1 0 340.414 3.033 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C2(C)CC2)cc1C ZINC001037012204 1343928839 /nfs/dbraw/zinc/92/88/39/1343928839.db2.gz CKOBKLDLDRZBJW-IAGOWNOFSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CC(C)(F)F)cc1C ZINC001045186080 1346522532 /nfs/dbraw/zinc/52/25/32/1346522532.db2.gz XFNKWYLKJRWRQK-HNNXBMFYSA-N 1 0 340.414 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C)cc1C ZINC001054341836 1349321652 /nfs/dbraw/zinc/32/16/52/1349321652.db2.gz SKQPJBOGKINQCB-QFBILLFUSA-N 1 0 338.451 3.254 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cccs3)C[C@H]2C)cc1C ZINC001054350427 1349330031 /nfs/dbraw/zinc/33/00/31/1349330031.db2.gz KERFLEGVBGJMKV-ZBFHGGJFSA-N 1 0 344.480 3.315 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C)cc1C ZINC001054366512 1349337192 /nfs/dbraw/zinc/33/71/92/1349337192.db2.gz MATYOKPJPIQSCV-YOEHRIQHSA-N 1 0 344.480 3.315 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3(C)CCC3)C[C@@H]2C)cc1C ZINC001054980088 1349536300 /nfs/dbraw/zinc/53/63/00/1349536300.db2.gz ZQUSOZGUEHXDOV-RDJZCZTQSA-N 1 0 330.472 3.130 20 10 EGCDRO C[NH+](C)CC1CC[NH+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233029360 1376557297 /nfs/dbraw/zinc/55/72/97/1376557297.db2.gz BKQCSTGSZKQHNG-UHFFFAOYSA-N 1 0 345.256 3.067 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1O ZINC001233107374 1376569973 /nfs/dbraw/zinc/56/99/73/1376569973.db2.gz AORNGWMJWAVPBO-SLEUVZQESA-N 1 0 340.261 3.462 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c1O ZINC001233106797 1376570286 /nfs/dbraw/zinc/57/02/86/1376570286.db2.gz OHEAJWAHZGBWDF-HZMBPMFUSA-N 1 0 328.250 3.056 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3C=CCC3)C[C@H]2C)cc1C ZINC001082420417 1358031777 /nfs/dbraw/zinc/03/17/77/1358031777.db2.gz ODDOWHATKYWYPN-ZIFCJYIRSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3occc3C)C2)cc1C ZINC001086029802 1358973593 /nfs/dbraw/zinc/97/35/93/1358973593.db2.gz YAQWDBFQAPIGBH-CALCHBBNSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cocc3C)C2)cc1C ZINC001086449804 1359099796 /nfs/dbraw/zinc/09/97/96/1359099796.db2.gz RFIPZZCXKOCSAB-QAQDUYKDSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3(CCF)CC3)C2)cc1C ZINC001100532946 1364150302 /nfs/dbraw/zinc/15/03/02/1364150302.db2.gz CZRJERGJZCPCNQ-UHFFFAOYSA-N 1 0 348.462 3.128 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC001324873916 1387799278 /nfs/dbraw/zinc/79/92/78/1387799278.db2.gz QINLXGLFQUMEHQ-IUODEOHRSA-N 1 0 325.412 3.392 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(C)nc3C)CC2)cc1 ZINC001192413617 1367777322 /nfs/dbraw/zinc/77/73/22/1367777322.db2.gz PYLRLBGZEQEIMA-UHFFFAOYSA-N 1 0 325.456 3.419 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001325340379 1387940639 /nfs/dbraw/zinc/94/06/39/1387940639.db2.gz OKEFJZWVJNYYSD-QXSJWSMHSA-N 1 0 330.472 3.486 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001325340384 1387941099 /nfs/dbraw/zinc/94/10/99/1387941099.db2.gz OKEFJZWVJNYYSD-WCVJEAGWSA-N 1 0 330.472 3.486 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccccc3OC)CC2)c(C)c1 ZINC001203438628 1370127370 /nfs/dbraw/zinc/12/73/70/1370127370.db2.gz NGHZXXGGXCLRHE-UHFFFAOYSA-N 1 0 326.440 3.334 20 10 EGCDRO COc1cccc(C[NH+]2CCN(Cc3ccc(C)cc3)CC2)c1O ZINC001203595522 1370181764 /nfs/dbraw/zinc/18/17/64/1370181764.db2.gz HBFZJJLBASEQLQ-UHFFFAOYSA-N 1 0 326.440 3.027 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3ccc(F)cc3C)CC2)c1O ZINC001203599525 1370183131 /nfs/dbraw/zinc/18/31/31/1370183131.db2.gz HKQJGIPSEVELHL-UHFFFAOYSA-N 1 0 330.403 3.171 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2cccc(OC)c2OC)c1O ZINC001203614624 1370188683 /nfs/dbraw/zinc/18/86/83/1370188683.db2.gz BWPZQWVSWQHMJU-UHFFFAOYSA-N 1 0 331.412 3.440 20 10 EGCDRO C[N@H+](Cc1cnc2ccccn12)Cc1cc(Br)ccc1O ZINC001203635895 1370195934 /nfs/dbraw/zinc/19/59/34/1370195934.db2.gz KSQMKRVKGMIHMW-UHFFFAOYSA-N 1 0 346.228 3.434 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC[C@@]1(C)O ZINC001203636027 1370196080 /nfs/dbraw/zinc/19/60/80/1370196080.db2.gz NJLCOOBIVLFLKT-IAQYHMDHSA-N 1 0 328.250 3.138 20 10 EGCDRO CC[N@@H+]1CCN(Cc2cc(Br)ccc2O)C(C)(C)C1 ZINC001203647954 1370199465 /nfs/dbraw/zinc/19/94/65/1370199465.db2.gz AJWVWCHYRCLVRU-UHFFFAOYSA-N 1 0 327.266 3.071 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001203645924 1370199647 /nfs/dbraw/zinc/19/96/47/1370199647.db2.gz WOAKITIFHGGXJD-ZDUSSCGKSA-N 1 0 348.187 3.155 20 10 EGCDRO CC(C)Oc1ncnc2c1CC[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203656707 1370204056 /nfs/dbraw/zinc/20/40/56/1370204056.db2.gz VBMNVYOKWJQCON-UHFFFAOYSA-N 1 0 347.846 3.224 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001203655775 1370204163 /nfs/dbraw/zinc/20/41/63/1370204163.db2.gz CWDYPBYNHKVGRM-OKILXGFUSA-N 1 0 349.887 3.066 20 10 EGCDRO O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203659047 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EGCDRO Oc1ccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)cc1O ZINC001203881191 1370298085 /nfs/dbraw/zinc/29/80/85/1370298085.db2.gz NCELGRISAXYYTD-NRFANRHFSA-N 1 0 338.451 3.338 20 10 EGCDRO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882428 1370298395 /nfs/dbraw/zinc/29/83/95/1370298395.db2.gz ITDWODXUFKRUES-UHFFFAOYSA-N 1 0 325.408 3.221 20 10 EGCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203929551 1370317631 /nfs/dbraw/zinc/31/76/31/1370317631.db2.gz GCMAKUCSIYVLPD-INIZCTEOSA-N 1 0 347.503 3.441 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)cc1 ZINC001203946565 1370325488 /nfs/dbraw/zinc/32/54/88/1370325488.db2.gz VUDIGMRLGFLOMG-IBGZPJMESA-N 1 0 340.471 3.285 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2ccc(O)cc2O)C1 ZINC001204276247 1370429103 /nfs/dbraw/zinc/42/91/03/1370429103.db2.gz IDIRNSNNVDUHBB-LJQANCHMSA-N 1 0 348.443 3.073 20 10 EGCDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2O)c1 ZINC001204282008 1370431042 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COC(=O)Cc1ccc(C[N@H+](C)CCc2cccc(C)c2)c(O)c1 ZINC001249207847 1377072899 /nfs/dbraw/zinc/07/28/99/1377072899.db2.gz JXJGCUHGNVCREZ-UHFFFAOYSA-N 1 0 327.424 3.091 20 10 EGCDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(C(=O)OC)cc1OC ZINC001137454049 1377550606 /nfs/dbraw/zinc/55/06/06/1377550606.db2.gz QFQQRMVHHBUFOU-UHFFFAOYSA-N 1 0 329.396 3.210 20 10 EGCDRO Cc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(C)n1-c1ccccc1 ZINC001137853966 1377631410 /nfs/dbraw/zinc/63/14/10/1377631410.db2.gz CHEVPBAGMKGMBW-UHFFFAOYSA-N 1 0 337.467 3.196 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCC3(C2)OCCO3)c(C)n1-c1ccccc1 ZINC001137859385 1377632460 /nfs/dbraw/zinc/63/24/60/1377632460.db2.gz WDTAHVDMWIMOKS-UHFFFAOYSA-N 1 0 326.440 3.433 20 10 EGCDRO Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc(F)c4[O-])C[C@@H]3C2)cc1 ZINC001138124957 1377680952 /nfs/dbraw/zinc/68/09/52/1377680952.db2.gz FOJNUICENBJVBD-KDURUIRLSA-N 1 0 340.442 3.404 20 10 EGCDRO Cc1c(C[NH+]2CCN(c3ncccc3F)CC2)c2ccccc2n1C ZINC001138259320 1377694928 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Cc1ccc(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140952097 1378190011 /nfs/dbraw/zinc/19/00/11/1378190011.db2.gz DYYWYAANAVUSSH-IRXDYDNUSA-N 1 0 328.481 3.326 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001140949573 1378190525 /nfs/dbraw/zinc/19/05/25/1378190525.db2.gz DTTBEEYAGFTQOK-QUCCMNQESA-N 1 0 337.467 3.050 20 10 EGCDRO Cc1ccc(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140957501 1378193750 /nfs/dbraw/zinc/19/37/50/1378193750.db2.gz BRWMJDOQERYIOP-UHFFFAOYSA-N 1 0 332.444 3.284 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(OC)c1 ZINC001141026624 1378213315 /nfs/dbraw/zinc/21/33/15/1378213315.db2.gz XOHMEKPIQHWGFC-UHFFFAOYSA-N 1 0 327.371 3.421 20 10 EGCDRO c1c(CN2CC([NH+]3CCCCC3)C2)cc2c3c1CCCN3CCC2 ZINC001141077864 1378232476 /nfs/dbraw/zinc/23/24/76/1378232476.db2.gz CWKJMYPFZLVYQW-UHFFFAOYSA-N 1 0 325.500 3.056 20 10 EGCDRO CN1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)Cc2cccnc21 ZINC001141077049 1378232512 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Oc1ccc(O)c(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c1 ZINC001141155731 1378252896 /nfs/dbraw/zinc/25/28/96/1378252896.db2.gz HXSVTTKXCLXCPK-UHFFFAOYSA-N 1 0 333.815 3.235 20 10 EGCDRO Oc1ccc(O)c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001141159462 1378254566 /nfs/dbraw/zinc/25/45/66/1378254566.db2.gz GVGQICXRLNISDB-NRFANRHFSA-N 1 0 338.451 3.196 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2O)[C@@H](c2ccccc2)C1 ZINC001141162317 1378255262 /nfs/dbraw/zinc/25/52/62/1378255262.db2.gz PBGPYWLGFPEQQR-MAUKXSAKSA-N 1 0 341.407 3.224 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2[nH]cnc21 ZINC001142687523 1378477081 /nfs/dbraw/zinc/47/70/81/1378477081.db2.gz VNCOVOMZNSLUNN-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCC(N3CCCOC3=O)CC2)c1O ZINC001143116682 1378543186 /nfs/dbraw/zinc/54/31/86/1378543186.db2.gz JMJDCZMVEZZYKI-UHFFFAOYSA-N 1 0 346.471 3.496 20 10 EGCDRO C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146663339 1378893642 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COc1ccc(C[NH2+]CCCNC(=O)[C@]23C[C@H]2CCCC3)cc1C ZINC001166226110 1383404406 /nfs/dbraw/zinc/40/44/06/1383404406.db2.gz ZJCLUHAHVZQIMT-YLJYHZDGSA-N 1 0 330.472 3.180 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cccc4c3CCCO4)cc2)CC1 ZINC001167437172 1383633777 /nfs/dbraw/zinc/63/37/77/1383633777.db2.gz NXRDQRXJAJDUED-UHFFFAOYSA-N 1 0 337.467 3.376 20 10 EGCDRO COc1ccc(N2CCN(C3CC[NH+](CC4CC4)CC3)CC2)c(C)c1 ZINC001168395016 1383895156 /nfs/dbraw/zinc/89/51/56/1383895156.db2.gz JWTYTINIPQBXSX-UHFFFAOYSA-N 1 0 343.515 3.000 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001169661631 1384170324 /nfs/dbraw/zinc/17/03/24/1384170324.db2.gz KODNFTGOVWBLSZ-RDJZCZTQSA-N 1 0 333.476 3.414 20 10 EGCDRO COc1ccc(N2CC[NH+](C3CC(C)(C)N(O)C(C)(C)C3)CC2)cc1 ZINC001169987012 1384211200 /nfs/dbraw/zinc/21/12/00/1384211200.db2.gz AQNUSXJMWVJZDQ-UHFFFAOYSA-N 1 0 347.503 3.228 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ncoc2C(C)C)cc1C ZINC001170341172 1384295045 /nfs/dbraw/zinc/29/50/45/1384295045.db2.gz ZQSJKGFDPGDXCJ-UHFFFAOYSA-N 1 0 345.443 3.025 20 10 EGCDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172860833 1384867274 /nfs/dbraw/zinc/86/72/74/1384867274.db2.gz HGJXDVOLHDWFGK-SNVBAGLBSA-N 1 0 339.794 3.359 20 10 EGCDRO Cc1cc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc(C)[nH+]1 ZINC001176057951 1385474313 /nfs/dbraw/zinc/47/43/13/1385474313.db2.gz UNZNOMNAHPHAJC-UHFFFAOYSA-N 1 0 344.370 3.345 20 10 EGCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001320131129 1386528753 /nfs/dbraw/zinc/52/87/53/1386528753.db2.gz CJGGVLMWGPETJF-PMPSAXMXSA-N 1 0 348.487 3.016 20 10 EGCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001320131130 1386528856 /nfs/dbraw/zinc/52/88/56/1386528856.db2.gz CJGGVLMWGPETJF-XHSDSOJGSA-N 1 0 348.487 3.016 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)c1O ZINC001320936844 1386764532 /nfs/dbraw/zinc/76/45/32/1386764532.db2.gz FGOMVCZKVQOUAQ-UHFFFAOYSA-N 1 0 342.317 3.027 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@H](C)C(C)C)C2)cc1C ZINC001181543427 1387013463 /nfs/dbraw/zinc/01/34/63/1387013463.db2.gz RAMBHBJUCIDXCY-MAUKXSAKSA-N 1 0 332.488 3.376 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001322121979 1387064177 /nfs/dbraw/zinc/06/41/77/1387064177.db2.gz QNWBSBIDOBYCRJ-PVAVHDDUSA-N 1 0 333.472 3.264 20 10 EGCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC001322333445 1387161149 /nfs/dbraw/zinc/16/11/49/1387161149.db2.gz HYTOPSKZRYHUBJ-HLIPFELVSA-N 1 0 330.472 3.055 20 10 EGCDRO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001337000643 1389232292 /nfs/dbraw/zinc/23/22/92/1389232292.db2.gz DGUHOQUQQQEWJS-LJQANCHMSA-N 1 0 341.499 3.025 20 10 EGCDRO c1ccc(CO[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001331084473 1389625743 /nfs/dbraw/zinc/62/57/43/1389625743.db2.gz YRTHHVUTMGEEGJ-OAQYLSRUSA-N 1 0 337.467 3.473 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cnc1F ZINC001333706867 1390379317 /nfs/dbraw/zinc/37/93/17/1390379317.db2.gz LCNUGKCJBGQUQJ-UHFFFAOYSA-N 1 0 343.446 3.028 20 10 EGCDRO CC[N@H+](CCCCC(=O)OC)Cc1cc(Br)ccc1O ZINC001334973212 1390627187 /nfs/dbraw/zinc/62/71/87/1390627187.db2.gz SHQHMMMCNZWNHK-UHFFFAOYSA-N 1 0 344.249 3.320 20 10 EGCDRO CCN(CC(=O)NCc1ccc(N)cc1)Cc1ccccc1Cl ZINC001343567474 1390723190 /nfs/dbraw/zinc/72/31/90/1390723190.db2.gz QGALIYRRXXGCEN-UHFFFAOYSA-N 1 0 331.847 3.061 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2CC(F)(F)C2)cc1C ZINC001753005845 1440265830 /nfs/dbraw/zinc/26/58/30/1440265830.db2.gz BXITUZBOICHWSS-CYBMUJFWSA-N 1 0 340.414 3.033 20 10 EGCDRO CC[C@@H](CNC(=O)[C@@]1(C)C=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753481980 1440416848 /nfs/dbraw/zinc/41/68/48/1440416848.db2.gz AJFCLRDKWZVSET-PXNSSMCTSA-N 1 0 330.472 3.344 20 10 EGCDRO CCC[NH2+]C1(CC)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001755074602 1440747929 /nfs/dbraw/zinc/74/79/29/1440747929.db2.gz GCQRDDJWZLPRGH-UHFFFAOYSA-N 1 0 345.447 3.233 20 10 EGCDRO C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594227277 998871867 /nfs/dbraw/zinc/87/18/67/998871867.db2.gz ZUWONUCVWMWUIZ-OWCLPIDISA-N 1 0 348.487 3.499 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000779076627 1126109373 /nfs/dbraw/zinc/10/93/73/1126109373.db2.gz DBEGUQAVGRNBQA-GDBMZVCRSA-N 1 0 343.320 3.155 20 10 EGCDRO COc1cc(C[NH2+][C@H](CO)Cc2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000850139419 1126112671 /nfs/dbraw/zinc/11/26/71/1126112671.db2.gz OOKVXHSFRJMUAF-KRWDZBQOSA-N 1 0 343.467 3.392 20 10 EGCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000277595133 455609176 /nfs/dbraw/zinc/60/91/76/455609176.db2.gz VDWBKTHQESJISM-CQSZACIVSA-N 1 0 327.266 3.071 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000291490850 456658839 /nfs/dbraw/zinc/65/88/39/456658839.db2.gz GNKHABRCHWYHEH-CZUORRHYSA-N 1 0 325.836 3.444 20 10 EGCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000157715972 455224042 /nfs/dbraw/zinc/22/40/42/455224042.db2.gz WHKKWFGRLIJLQP-CYBMUJFWSA-N 1 0 328.428 3.352 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1O ZINC000190021996 455273596 /nfs/dbraw/zinc/27/35/96/455273596.db2.gz YLRKNUDLKYHRCR-UHFFFAOYSA-N 1 0 333.378 3.462 20 10 EGCDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N(C)C)cc1OC ZINC000183591576 455309053 /nfs/dbraw/zinc/30/90/53/455309053.db2.gz XGZMDCFAJOXBRR-YOEHRIQHSA-N 1 0 344.455 3.363 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000089211655 454126310 /nfs/dbraw/zinc/12/63/10/454126310.db2.gz XTKROIGEAPPBSL-AWEZNQCLSA-N 1 0 330.476 3.298 20 10 EGCDRO CCCOc1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)c(O)c1 ZINC000120317559 454285816 /nfs/dbraw/zinc/28/58/16/454285816.db2.gz LFZIOYZMCDFLFP-UHFFFAOYSA-N 1 0 342.443 3.048 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2cc(Br)cn2C)c1O ZINC000091961628 454495791 /nfs/dbraw/zinc/49/57/91/454495791.db2.gz PVRIHOJRMUQZBO-UHFFFAOYSA-N 1 0 339.233 3.134 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)cc1 ZINC000092098898 454521287 /nfs/dbraw/zinc/52/12/87/454521287.db2.gz YDYAFQTWLYRWBN-UHFFFAOYSA-N 1 0 327.476 3.037 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1F ZINC000122970914 454587388 /nfs/dbraw/zinc/58/73/88/454587388.db2.gz KNDUCDXFTBQCLV-QGZVFWFLSA-N 1 0 336.451 3.052 20 10 EGCDRO CCCOc1ccc(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c(O)c1 ZINC000093415683 454713705 /nfs/dbraw/zinc/71/37/05/454713705.db2.gz HWRITQKBKPXMOM-LJQANCHMSA-N 1 0 345.439 3.355 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000136137942 454723221 /nfs/dbraw/zinc/72/32/21/454723221.db2.gz UDEFISPUYWCDPN-CQSZACIVSA-N 1 0 337.876 3.256 20 10 EGCDRO CC(C)c1nnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000109761643 454835464 /nfs/dbraw/zinc/83/54/64/454835464.db2.gz RCBCBUNHNVSICB-HNNXBMFYSA-N 1 0 331.416 3.080 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000177578159 454879490 /nfs/dbraw/zinc/87/94/90/454879490.db2.gz HLXXLJLYYBFCQU-IRXDYDNUSA-N 1 0 340.471 3.092 20 10 EGCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000126395555 454890945 /nfs/dbraw/zinc/89/09/45/454890945.db2.gz OTMOXGRJLNWRAM-WBVHZDCISA-N 1 0 347.478 3.478 20 10 EGCDRO O=C(c1ccoc1)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113319972 454922163 /nfs/dbraw/zinc/92/21/63/454922163.db2.gz PFQHGZVQMMVEGW-UHFFFAOYSA-N 1 0 334.803 3.033 20 10 EGCDRO COc1cccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c1O ZINC000127304857 454953192 /nfs/dbraw/zinc/95/31/92/454953192.db2.gz HWGUKZRRWSQRBL-UHFFFAOYSA-N 1 0 326.440 3.109 20 10 EGCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000178961390 454993312 /nfs/dbraw/zinc/99/33/12/454993312.db2.gz LJVGHHJPOYXECQ-HNNXBMFYSA-N 1 0 345.874 3.429 20 10 EGCDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156068958 455078264 /nfs/dbraw/zinc/07/82/64/455078264.db2.gz RKYUZIGYZXSJCL-ZDUSSCGKSA-N 1 0 347.434 3.160 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000156141862 455086308 /nfs/dbraw/zinc/08/63/08/455086308.db2.gz SQEQLGKRPRQBCB-DOTOQJQBSA-N 1 0 325.456 3.294 20 10 EGCDRO CCc1nc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)cs1 ZINC000179857188 455089778 /nfs/dbraw/zinc/08/97/78/455089778.db2.gz CUNSAZNVKYJXDT-UHFFFAOYSA-N 1 0 331.485 3.037 20 10 EGCDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000156493453 455125533 /nfs/dbraw/zinc/12/55/33/455125533.db2.gz SJVDFYOGPFBHLL-HNNXBMFYSA-N 1 0 325.456 3.353 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000180616814 455209993 /nfs/dbraw/zinc/20/99/93/455209993.db2.gz FLSDHDMAGKKTNX-HNNXBMFYSA-N 1 0 329.293 3.071 20 10 EGCDRO CCCC[N@H+](C)CC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181077474 455284213 /nfs/dbraw/zinc/28/42/13/455284213.db2.gz DLZZBIANEYBHPW-SOFGYWHQSA-N 1 0 346.471 3.082 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1O ZINC000183446022 455294071 /nfs/dbraw/zinc/29/40/71/455294071.db2.gz WXOCVBGHQOLNHX-LIRRHRJNSA-N 1 0 340.423 3.361 20 10 EGCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000158568785 455314294 /nfs/dbraw/zinc/31/42/94/455314294.db2.gz FTCJUZVFRBFKOF-LSDHHAIUSA-N 1 0 333.453 3.214 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2ncc(C)c(OC)c2C)c1O ZINC000183782813 455327758 /nfs/dbraw/zinc/32/77/58/455327758.db2.gz DGLCQDZWBLPPKD-UHFFFAOYSA-N 1 0 330.428 3.443 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000266886866 455468955 /nfs/dbraw/zinc/46/89/55/455468955.db2.gz XRIIGAITMIKDGL-INIZCTEOSA-N 1 0 346.519 3.155 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1cc(F)ccc1O ZINC000184919434 455472512 /nfs/dbraw/zinc/47/25/12/455472512.db2.gz WTZLODSIRSJDJU-BEFAXECRSA-N 1 0 344.430 3.255 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000185086931 455499297 /nfs/dbraw/zinc/49/92/97/455499297.db2.gz DTUBFFDSDAETSM-MRXNPFEDSA-N 1 0 347.480 3.356 20 10 EGCDRO CCc1cc(N2CCC([NH2+][C@H](C)c3cc(C)ccc3O)CC2)ncn1 ZINC000185642500 455588684 /nfs/dbraw/zinc/58/86/84/455588684.db2.gz ZAVXPCYEMDXOTL-OAHLLOKOSA-N 1 0 340.471 3.373 20 10 EGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284162612 455644657 /nfs/dbraw/zinc/64/46/57/455644657.db2.gz PXBJEAAVLQVGFM-AUUYWEPGSA-N 1 0 345.439 3.410 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000284260698 455659251 /nfs/dbraw/zinc/65/92/51/455659251.db2.gz GILBPSLISCLDMO-AUUYWEPGSA-N 1 0 344.455 3.363 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185966750 455664657 /nfs/dbraw/zinc/66/46/57/455664657.db2.gz BVIBZOYTOFGWFP-CQSZACIVSA-N 1 0 328.412 3.389 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1O ZINC000186154899 455704672 /nfs/dbraw/zinc/70/46/72/455704672.db2.gz UMZRHNBQRXUIEO-KRWDZBQOSA-N 1 0 333.453 3.178 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000268900204 455723627 /nfs/dbraw/zinc/72/36/27/455723627.db2.gz LCKLBIWYFDQMJL-SCTDSRPQSA-N 1 0 331.504 3.440 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000292715660 455739173 /nfs/dbraw/zinc/73/91/73/455739173.db2.gz DTFBSPWFCADLJA-CQSZACIVSA-N 1 0 325.836 3.303 20 10 EGCDRO Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000271772023 455753733 /nfs/dbraw/zinc/75/37/33/455753733.db2.gz GFECLNVYBFTZFV-AWEZNQCLSA-N 1 0 331.485 3.181 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268984817 455754640 /nfs/dbraw/zinc/75/46/40/455754640.db2.gz SSAJNADGMYBJDZ-CYBMUJFWSA-N 1 0 326.234 3.346 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c1O ZINC000271811243 455770013 /nfs/dbraw/zinc/77/00/13/455770013.db2.gz KVMMYGBGSRRLFC-NEPJUHHUSA-N 1 0 328.250 3.368 20 10 EGCDRO CC(C)C(=O)NCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293216036 455778089 /nfs/dbraw/zinc/77/80/89/455778089.db2.gz AEGMIRWAKCGRIE-LJQANCHMSA-N 1 0 340.467 3.428 20 10 EGCDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000293730111 455795931 /nfs/dbraw/zinc/79/59/31/455795931.db2.gz OHZDMDRLESGETD-OAHLLOKOSA-N 1 0 345.466 3.228 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c1O ZINC000271877089 455796276 /nfs/dbraw/zinc/79/62/76/455796276.db2.gz ZRJJEKDHZVZRFB-AEFFLSMTSA-N 1 0 346.377 3.040 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)ccc1N(C)C ZINC000294553127 455819478 /nfs/dbraw/zinc/81/94/78/455819478.db2.gz KXDOHMKASYFBTK-MBSDFSHPSA-N 1 0 330.497 3.270 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000269248959 455821050 /nfs/dbraw/zinc/82/10/50/455821050.db2.gz ZFADKZGVPQSYGH-WBVHZDCISA-N 1 0 325.456 3.212 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000294895548 455831110 /nfs/dbraw/zinc/83/11/10/455831110.db2.gz WVRIZDOWPMRGPN-OAHLLOKOSA-N 1 0 335.467 3.005 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000294883630 455831162 /nfs/dbraw/zinc/83/11/62/455831162.db2.gz ALQRRMUUGSVQPZ-NHCUHLMSSA-N 1 0 344.499 3.445 20 10 EGCDRO CN(C)c1ccc(CN(C(=O)C2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000278480363 455837296 /nfs/dbraw/zinc/83/72/96/455837296.db2.gz JYGZMJDOYGRZGV-UHFFFAOYSA-N 1 0 341.499 3.118 20 10 EGCDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295138415 455840735 /nfs/dbraw/zinc/84/07/35/455840735.db2.gz ZEIWIJWGUNUGAF-GOSISDBHSA-N 1 0 332.488 3.160 20 10 EGCDRO CC[C@H](C)N(CC(=O)OC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295149885 455840870 /nfs/dbraw/zinc/84/08/70/455840870.db2.gz FUHSSATZFPGGMC-INIZCTEOSA-N 1 0 348.487 3.075 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)Cc3ccccn3)cc2)CC1 ZINC000295246028 455843167 /nfs/dbraw/zinc/84/31/67/455843167.db2.gz YQZFGKHPIJWGEF-UHFFFAOYSA-N 1 0 325.456 3.329 20 10 EGCDRO COc1c([O-])c(C[N@@H+]2CCCC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278636827 455843316 /nfs/dbraw/zinc/84/33/16/455843316.db2.gz HJABPPGSTAFWNO-GFCCVEGCSA-N 1 0 326.418 3.027 20 10 EGCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC000279577395 455867839 /nfs/dbraw/zinc/86/78/39/455867839.db2.gz BCBBYDRFULEIOA-FXAWDEMLSA-N 1 0 330.472 3.057 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000279925928 455878227 /nfs/dbraw/zinc/87/82/27/455878227.db2.gz AJXSRQNTTBSQQX-NEWSRXKRSA-N 1 0 329.440 3.226 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccc(O)c1 ZINC000194863012 455892910 /nfs/dbraw/zinc/89/29/10/455892910.db2.gz QUQSPWSUGCGTIM-INIZCTEOSA-N 1 0 340.467 3.452 20 10 EGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000194977389 455907874 /nfs/dbraw/zinc/90/78/74/455907874.db2.gz XIHBBYZUTGTKAF-UHFFFAOYSA-N 1 0 341.455 3.260 20 10 EGCDRO Cc1cc(/C=C/C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000272328741 455915190 /nfs/dbraw/zinc/91/51/90/455915190.db2.gz VDLPYLJSZBLTRE-FCGLOEDJSA-N 1 0 337.467 3.303 20 10 EGCDRO C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000187674051 455937402 /nfs/dbraw/zinc/93/74/02/455937402.db2.gz FEUUYBYAYMHIHU-IHRRRGAJSA-N 1 0 342.430 3.210 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)nc1 ZINC000270493460 455968462 /nfs/dbraw/zinc/96/84/62/455968462.db2.gz MJSSRJUWGQNPOA-AWEZNQCLSA-N 1 0 331.847 3.422 20 10 EGCDRO CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000286328794 456025506 /nfs/dbraw/zinc/02/55/06/456025506.db2.gz XWKRFBBYGWGSIS-KSSFIOAISA-N 1 0 336.451 3.073 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000286854936 456056368 /nfs/dbraw/zinc/05/63/68/456056368.db2.gz ASFTVFYNIREUMM-SCLBCKFNSA-N 1 0 332.419 3.493 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000287593056 456073266 /nfs/dbraw/zinc/07/32/66/456073266.db2.gz RSMMJKLINOXOQA-CVEARBPZSA-N 1 0 331.460 3.031 20 10 EGCDRO Cc1ccnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000301296866 456084945 /nfs/dbraw/zinc/08/49/45/456084945.db2.gz YCDGPPFNKATSJW-HNNXBMFYSA-N 1 0 332.835 3.221 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000281008569 456108179 /nfs/dbraw/zinc/10/81/79/456108179.db2.gz YJOFVPPMCVAKAU-SXLOBPIMSA-N 1 0 346.515 3.363 20 10 EGCDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271063847 456116589 /nfs/dbraw/zinc/11/65/89/456116589.db2.gz HRMMFUMUIWTEGW-LJQANCHMSA-N 1 0 336.435 3.302 20 10 EGCDRO CCC[N@H+](Cc1cnc(C2OCCO2)s1)Cc1ccccc1O ZINC000289398312 456124100 /nfs/dbraw/zinc/12/41/00/456124100.db2.gz RTZIJRYRITZHLH-UHFFFAOYSA-N 1 0 334.441 3.306 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2Cl)c1O ZINC000289420792 456124885 /nfs/dbraw/zinc/12/48/85/456124885.db2.gz JCHJGSXIZPYEHL-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2OCCc3ccccc32)cc1OC ZINC000271106401 456127342 /nfs/dbraw/zinc/12/73/42/456127342.db2.gz RXCPBPVKYSRRQY-FQEVSTJZSA-N 1 0 343.423 3.155 20 10 EGCDRO COc1cccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c1O ZINC000271172068 456154718 /nfs/dbraw/zinc/15/47/18/456154718.db2.gz ICLPUAYIALIJMF-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO COC[C@]1(C[NH2+][C@H](C)c2ccccc2O)OCCc2ccccc21 ZINC000289980482 456204524 /nfs/dbraw/zinc/20/45/24/456204524.db2.gz XWFASEVMLPUDCV-QRWLVFNGSA-N 1 0 327.424 3.157 20 10 EGCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000273408848 456228464 /nfs/dbraw/zinc/22/84/64/456228464.db2.gz PAICACNYKLHITG-ZDUSSCGKSA-N 1 0 328.412 3.427 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1O ZINC000290129758 456248184 /nfs/dbraw/zinc/24/81/84/456248184.db2.gz JMLPHMZNGHCNMV-RYUDHWBXSA-N 1 0 328.250 3.056 20 10 EGCDRO CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccccc1O ZINC000274761746 456264836 /nfs/dbraw/zinc/26/48/36/456264836.db2.gz KGTCINNRLYSAQM-FUHWJXTLSA-N 1 0 340.471 3.491 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000275332064 456272795 /nfs/dbraw/zinc/27/27/95/456272795.db2.gz NEMAHWNWCZPESL-NWDGAFQWSA-N 1 0 338.249 3.399 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1nnc2n1CCCCC2 ZINC000297928764 456326730 /nfs/dbraw/zinc/32/67/30/456326730.db2.gz XLNBIISSYKPCDT-LSDHHAIUSA-N 1 0 326.444 3.438 20 10 EGCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000282150489 456426719 /nfs/dbraw/zinc/42/67/19/456426719.db2.gz CPVUNTSVOBQRFP-FATZIPQQSA-N 1 0 338.492 3.378 20 10 EGCDRO CCCC[N@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000282351543 456487825 /nfs/dbraw/zinc/48/78/25/456487825.db2.gz COIMJMAZHVZDPD-UHFFFAOYSA-N 1 0 343.452 3.264 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1O ZINC000291160938 456549863 /nfs/dbraw/zinc/54/98/63/456549863.db2.gz CKFAYRHGUICWTR-NRFANRHFSA-N 1 0 341.451 3.218 20 10 EGCDRO CC[C@]1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[NH2+]C1 ZINC000325109279 456679577 /nfs/dbraw/zinc/67/95/77/456679577.db2.gz ZADDFWZWZZSULP-FQEVSTJZSA-N 1 0 329.488 3.025 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(N(C)C)cc1 ZINC000277160545 456702732 /nfs/dbraw/zinc/70/27/32/456702732.db2.gz QXVAYEDFBLAULH-LJQANCHMSA-N 1 0 339.487 3.252 20 10 EGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000362952739 457172411 /nfs/dbraw/zinc/17/24/11/457172411.db2.gz QGYIBKKGFYJDMH-IBGZPJMESA-N 1 0 336.483 3.422 20 10 EGCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000378335117 457389563 /nfs/dbraw/zinc/38/95/63/457389563.db2.gz QRBWANUPBKPFFM-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000363832465 457454281 /nfs/dbraw/zinc/45/42/81/457454281.db2.gz SDNNZWVESWQRHS-HNAYVOBHSA-N 1 0 342.487 3.060 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357470814 457550276 /nfs/dbraw/zinc/55/02/76/457550276.db2.gz JGGFJCVSBBZKAC-INIZCTEOSA-N 1 0 327.472 3.367 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1 ZINC000374612116 457672494 /nfs/dbraw/zinc/67/24/94/457672494.db2.gz NNXXWXOTNMHZQB-HXUWFJFHSA-N 1 0 337.423 3.404 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000361536365 457777797 /nfs/dbraw/zinc/77/77/97/457777797.db2.gz STQYALLDBTYIID-AWEZNQCLSA-N 1 0 337.876 3.256 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCN(c3ccccc3)C1)OCO2 ZINC000366050044 457790024 /nfs/dbraw/zinc/79/00/24/457790024.db2.gz XBZBIRFCNJTURU-OAHLLOKOSA-N 1 0 340.423 3.127 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCCOC2)O1 ZINC000366473106 457819754 /nfs/dbraw/zinc/81/97/54/457819754.db2.gz WEDLOIHVYPVTEI-RXVVDRJESA-N 1 0 344.499 3.447 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c(C)n1-c1ccc(F)cc1 ZINC000368384674 458032683 /nfs/dbraw/zinc/03/26/83/458032683.db2.gz JSKMWXNMTPVGMH-GOSISDBHSA-N 1 0 341.430 3.105 20 10 EGCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375742464 458045918 /nfs/dbraw/zinc/04/59/18/458045918.db2.gz LPGWFUYNOGKJLI-VOIUYBSRSA-N 1 0 342.508 3.106 20 10 EGCDRO COc1cccc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)c1O ZINC000372433499 458302233 /nfs/dbraw/zinc/30/22/33/458302233.db2.gz JNQSMNYCJAMTJK-CQSZACIVSA-N 1 0 329.400 3.388 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCCN3C3CC3)CC2)cc1 ZINC000376470344 458310617 /nfs/dbraw/zinc/31/06/17/458310617.db2.gz BPFYNGZOPZJRRG-FQEVSTJZSA-N 1 0 343.515 3.271 20 10 EGCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471843950 458741494 /nfs/dbraw/zinc/74/14/94/458741494.db2.gz JSMDLSVTSROEPG-CQSZACIVSA-N 1 0 330.476 3.016 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000568728904 459334891 /nfs/dbraw/zinc/33/48/91/459334891.db2.gz HKTSCWJFRJGDMI-UHFFFAOYSA-N 1 0 348.450 3.454 20 10 EGCDRO CCCCN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592476404 459609731 /nfs/dbraw/zinc/60/97/31/459609731.db2.gz RIYDOIIGESCTSG-OAHLLOKOSA-N 1 0 326.444 3.166 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)c1O ZINC000527842079 459755174 /nfs/dbraw/zinc/75/51/74/459755174.db2.gz UZWGAYIWGOHPNP-GOSISDBHSA-N 1 0 328.412 3.435 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC[N@H+](CC)C2CC2)cc1 ZINC000726281558 574548051 /nfs/dbraw/zinc/54/80/51/574548051.db2.gz YVSYDSGGTZDYIV-UHFFFAOYSA-N 1 0 346.519 3.159 20 10 EGCDRO CC[N@H+](CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000726606550 574563546 /nfs/dbraw/zinc/56/35/46/574563546.db2.gz BQIHDVWHGXKVGR-UHFFFAOYSA-N 1 0 348.491 3.405 20 10 EGCDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727161166 574651971 /nfs/dbraw/zinc/65/19/71/574651971.db2.gz BKUIVAZKAMGAGG-INIZCTEOSA-N 1 0 348.491 3.405 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000729617212 574874012 /nfs/dbraw/zinc/87/40/12/574874012.db2.gz HRXMCACQHROJEZ-INIZCTEOSA-N 1 0 346.519 3.157 20 10 EGCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731016488 575044932 /nfs/dbraw/zinc/04/49/32/575044932.db2.gz UDLUUCXHRAOZIE-FQEVSTJZSA-N 1 0 343.515 3.414 20 10 EGCDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000731218051 575060856 /nfs/dbraw/zinc/06/08/56/575060856.db2.gz QZIKKPCDCJJDGF-IBGZPJMESA-N 1 0 346.519 3.206 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)C1=CC(=O)CS1)c1cccc(OC)c1 ZINC000731866372 575216287 /nfs/dbraw/zinc/21/62/87/575216287.db2.gz GPWGEZSNFZONGZ-MRXNPFEDSA-N 1 0 348.468 3.275 20 10 EGCDRO CCCCCC[N@H+](C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000732278893 575253986 /nfs/dbraw/zinc/25/39/86/575253986.db2.gz DYTWURLUQPZRQW-UHFFFAOYSA-N 1 0 331.504 3.197 20 10 EGCDRO COc1ccc(F)cc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410667 575268141 /nfs/dbraw/zinc/26/81/41/575268141.db2.gz GCIMCCACFPOCSG-UHFFFAOYSA-N 1 0 332.419 3.411 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCc2ccccc2C1 ZINC000733322519 575327521 /nfs/dbraw/zinc/32/75/21/575327521.db2.gz KPVLGHZCOCUDRY-INIZCTEOSA-N 1 0 341.474 3.428 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCN2CCCc3ccccc32)cc1F ZINC000733325895 575327959 /nfs/dbraw/zinc/32/79/59/575327959.db2.gz WZGXQFMIIPLUBT-UHFFFAOYSA-N 1 0 327.447 3.434 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000733334550 575328551 /nfs/dbraw/zinc/32/85/51/575328551.db2.gz LVHINMFYANXTTJ-CQSZACIVSA-N 1 0 337.876 3.256 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000733330927 575328769 /nfs/dbraw/zinc/32/87/69/575328769.db2.gz SPHAONDFNSXDNR-NRFANRHFSA-N 1 0 343.515 3.020 20 10 EGCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000735810646 575718498 /nfs/dbraw/zinc/71/84/98/575718498.db2.gz NHYSAQYXRSLMEM-KRWDZBQOSA-N 1 0 340.471 3.093 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc1F ZINC000740005840 576530319 /nfs/dbraw/zinc/53/03/19/576530319.db2.gz HOTJPQZPIBZACJ-IBGZPJMESA-N 1 0 349.494 3.409 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)ccc1N1CCCCC1 ZINC000740900494 576635434 /nfs/dbraw/zinc/63/54/34/576635434.db2.gz RCDJNMMDZHFPEV-QFBILLFUSA-N 1 0 347.459 3.226 20 10 EGCDRO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000742218783 576759164 /nfs/dbraw/zinc/75/91/64/576759164.db2.gz IDDOYPQJOMPGIQ-ZWKOTPCHSA-N 1 0 332.488 3.376 20 10 EGCDRO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000742388441 576777976 /nfs/dbraw/zinc/77/79/76/576777976.db2.gz OYDAQRLIQVOJBU-UHFFFAOYSA-N 1 0 337.416 3.113 20 10 EGCDRO CC[NH+](CC)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000742822688 576795939 /nfs/dbraw/zinc/79/59/39/576795939.db2.gz OLRYBBAVZNBYGQ-UHFFFAOYSA-N 1 0 331.504 3.414 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3ccncc3Cl)CC2)cc1 ZINC000743843625 576816689 /nfs/dbraw/zinc/81/66/89/576816689.db2.gz ZSHVDUKBIUZHQT-UHFFFAOYSA-N 1 0 331.847 3.456 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1C ZINC000873094537 1297271755 /nfs/dbraw/zinc/27/17/55/1297271755.db2.gz DQWLDCHKMATLDO-WOJBJXKFSA-N 1 0 343.467 3.358 20 10 EGCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CCCO1 ZINC000691678197 1298136665 /nfs/dbraw/zinc/13/66/65/1298136665.db2.gz OLQDVTVMIXGPBF-HNNXBMFYSA-N 1 0 328.250 3.402 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1ccc(C)cc1O ZINC000794803811 1309598032 /nfs/dbraw/zinc/59/80/32/1309598032.db2.gz SDVOSNYMBSZOPD-LPHOPBHVSA-N 1 0 329.440 3.490 20 10 EGCDRO CC[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(C)cc1O ZINC000794802140 1309599186 /nfs/dbraw/zinc/59/91/86/1309599186.db2.gz CNGXTQBFYXPBFY-SFHVURJKSA-N 1 0 326.440 3.448 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000841029420 1321203776 /nfs/dbraw/zinc/20/37/76/1321203776.db2.gz GYPXBYVJKAICSE-BXUZGUMPSA-N 1 0 327.266 3.070 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c(C)n1-c1ccccn1 ZINC000027768885 1291294545 /nfs/dbraw/zinc/29/45/45/1291294545.db2.gz RXRYVMBPIFUDEC-OAHLLOKOSA-N 1 0 340.471 3.093 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085424476 1292721630 /nfs/dbraw/zinc/72/16/30/1292721630.db2.gz DGZZUNCWGQKVGV-MRXNPFEDSA-N 1 0 348.535 3.260 20 10 EGCDRO CN(CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000085772021 1292724836 /nfs/dbraw/zinc/72/48/36/1292724836.db2.gz KBIVVJICBOFYDT-UHFFFAOYSA-N 1 0 339.483 3.091 20 10 EGCDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093315649 1292915192 /nfs/dbraw/zinc/91/51/92/1292915192.db2.gz FOIDMBFDXORPSO-MRXNPFEDSA-N 1 0 326.440 3.422 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000832267359 1292979630 /nfs/dbraw/zinc/97/96/30/1292979630.db2.gz QXEAGXOOBOBASN-SJORKVTESA-N 1 0 343.496 3.050 20 10 EGCDRO Cc1ccc(C[C@H](C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832267237 1292979789 /nfs/dbraw/zinc/97/97/89/1292979789.db2.gz OPTUWGJRCCINHN-OXJNMPFZSA-N 1 0 339.483 3.056 20 10 EGCDRO Cc1ccccc1[C@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273279 1292980134 /nfs/dbraw/zinc/98/01/34/1292980134.db2.gz MOQQDUGFANYUDV-UZLBHIALSA-N 1 0 339.483 3.371 20 10 EGCDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000832274853 1292981351 /nfs/dbraw/zinc/98/13/51/1292981351.db2.gz ZXNKNLZLAJQZSY-SCLBCKFNSA-N 1 0 345.874 3.326 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C(F)=C/C2CCCCC2)cc1 ZINC000832286229 1292981926 /nfs/dbraw/zinc/98/19/26/1292981926.db2.gz XLPXZGQFUCMVEW-FSEPTYSPSA-N 1 0 333.451 3.302 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C(F)=C\C2CCCCC2)cc1 ZINC000832286235 1292982236 /nfs/dbraw/zinc/98/22/36/1292982236.db2.gz XLPXZGQFUCMVEW-XCMFGDQWSA-N 1 0 333.451 3.302 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(N2CCOCC2)cc1 ZINC000834534351 1293112885 /nfs/dbraw/zinc/11/28/85/1293112885.db2.gz MIIDKOWHGJAJKX-RVKKMQEKSA-N 1 0 326.444 3.076 20 10 EGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCc2sccc2C1 ZINC000834537752 1293113535 /nfs/dbraw/zinc/11/35/35/1293113535.db2.gz JEDPSONVXJGSIV-CZUORRHYSA-N 1 0 328.481 3.477 20 10 EGCDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCCN1Cc1ccccc1 ZINC000834692435 1293132637 /nfs/dbraw/zinc/13/26/37/1293132637.db2.gz BIBGNEWJZFZMBY-MSOLQXFVSA-N 1 0 336.435 3.160 20 10 EGCDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)Nc1ccc(F)c(F)c1F ZINC000113313481 1293146462 /nfs/dbraw/zinc/14/64/62/1293146462.db2.gz MDMKEVWVNZPUMP-UHFFFAOYSA-N 1 0 344.720 3.191 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c(O)c1 ZINC000834914036 1293175408 /nfs/dbraw/zinc/17/54/08/1293175408.db2.gz SHIPAWMHJNVYQJ-ZMSDIMECSA-N 1 0 329.444 3.313 20 10 EGCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCC(=O)N1 ZINC000835061122 1293195766 /nfs/dbraw/zinc/19/57/66/1293195766.db2.gz QCPRBAHRRMHRMZ-JOCHJYFZSA-N 1 0 349.478 3.008 20 10 EGCDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000120081106 1293301914 /nfs/dbraw/zinc/30/19/14/1293301914.db2.gz JEYDHSAHEPHGPT-ZNMIVQPWSA-N 1 0 338.879 3.119 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCN(c3cccc(C)c3)CC2)c1O ZINC000120807158 1293339798 /nfs/dbraw/zinc/33/97/98/1293339798.db2.gz CDQVTQOVVIXEHQ-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000121142740 1293357953 /nfs/dbraw/zinc/35/79/53/1293357953.db2.gz NWUZWFYORAHWMI-INIZCTEOSA-N 1 0 339.357 3.446 20 10 EGCDRO COC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122204503 1293404122 /nfs/dbraw/zinc/40/41/22/1293404122.db2.gz CNXYIWWXPYMJIQ-CYBMUJFWSA-N 1 0 326.868 3.252 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(OC3CCCCC3)CC1)OCO2 ZINC000124739698 1293484227 /nfs/dbraw/zinc/48/42/27/1293484227.db2.gz SMVOJKLVOGGRFO-UHFFFAOYSA-N 1 0 333.428 3.435 20 10 EGCDRO CC[C@H](COC)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130098970 1293644490 /nfs/dbraw/zinc/64/44/90/1293644490.db2.gz LHBXOPNZFAINDK-ZIAGYGMSSA-N 1 0 328.403 3.271 20 10 EGCDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(Cl)nc2)C1 ZINC000132813967 1293729011 /nfs/dbraw/zinc/72/90/11/1293729011.db2.gz BJISIHASYODDMO-DZZUKKPASA-N 1 0 341.842 3.268 20 10 EGCDRO C[N@H+](CCOC[C@H]1CCCO1)Cc1ccc(N2CCCCC2)cc1 ZINC000152115985 1293954941 /nfs/dbraw/zinc/95/49/41/1293954941.db2.gz ATXQQUBXCOHUID-HXUWFJFHSA-N 1 0 332.488 3.304 20 10 EGCDRO C[C@H](C(=O)NCCCSc1nccs1)[C@@H]([NH3+])c1ccccc1 ZINC000158524275 1294207029 /nfs/dbraw/zinc/20/70/29/1294207029.db2.gz QBSXUOGEQHIXSL-GXTWGEPZSA-N 1 0 335.498 3.078 20 10 EGCDRO CCCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000158590369 1294209008 /nfs/dbraw/zinc/20/90/08/1294209008.db2.gz AAABYXBLSATTEG-UHFFFAOYSA-N 1 0 346.519 3.159 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CCCO1 ZINC000160181095 1294260673 /nfs/dbraw/zinc/26/06/73/1294260673.db2.gz OQAPFORZSGCCSW-SFHVURJKSA-N 1 0 337.423 3.450 20 10 EGCDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163636280 1294336410 /nfs/dbraw/zinc/33/64/10/1294336410.db2.gz LHTRXRPFTPDKEL-GOSISDBHSA-N 1 0 342.512 3.141 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)CC(C)(C)OC)c1O ZINC000174555058 1294508345 /nfs/dbraw/zinc/50/83/45/1294508345.db2.gz GRBZRELMZMJETA-JTQLQIEISA-N 1 0 346.265 3.457 20 10 EGCDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000178169384 1294720294 /nfs/dbraw/zinc/72/02/94/1294720294.db2.gz NAWWBOWPBCIKPW-AWEZNQCLSA-N 1 0 345.874 3.487 20 10 EGCDRO Cc1noc(C2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)n1 ZINC000179440457 1294796105 /nfs/dbraw/zinc/79/61/05/1294796105.db2.gz PUTNCERQNWHHJW-UHFFFAOYSA-N 1 0 327.428 3.342 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCC2CCCCC2)c1 ZINC000182450762 1295048583 /nfs/dbraw/zinc/04/85/83/1295048583.db2.gz IVXCWKHYAGTDHD-CQSZACIVSA-N 1 0 334.460 3.138 20 10 EGCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c(C)s1 ZINC000182467151 1295049802 /nfs/dbraw/zinc/04/98/02/1295049802.db2.gz WCPFTTHCGLPRJH-SNVBAGLBSA-N 1 0 335.425 3.408 20 10 EGCDRO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182888834 1295082397 /nfs/dbraw/zinc/08/23/97/1295082397.db2.gz VLDOSIAPEUKYCC-HZPDHXFCSA-N 1 0 345.487 3.187 20 10 EGCDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183156933 1295102903 /nfs/dbraw/zinc/10/29/03/1295102903.db2.gz KLZGIHQDHPJLOB-FQEVSTJZSA-N 1 0 329.440 3.468 20 10 EGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000186454270 1295328602 /nfs/dbraw/zinc/32/86/02/1295328602.db2.gz HSBVOAHHGSKTIX-XJKSGUPXSA-N 1 0 332.444 3.152 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cc(F)ccc1O ZINC000186526610 1295333164 /nfs/dbraw/zinc/33/31/64/1295333164.db2.gz JVGRCXCQCJSJED-GFCCVEGCSA-N 1 0 330.359 3.339 20 10 EGCDRO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000187792780 1295415869 /nfs/dbraw/zinc/41/58/69/1295415869.db2.gz PRUBTCVNJBVBLJ-OAHLLOKOSA-N 1 0 328.485 3.189 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CCOCC1 ZINC000187988057 1295428145 /nfs/dbraw/zinc/42/81/45/1295428145.db2.gz IROMLAZMUDFDDB-NRFANRHFSA-N 1 0 346.515 3.454 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000189611302 1295534379 /nfs/dbraw/zinc/53/43/79/1295534379.db2.gz LFASMGGZADBDAZ-ZBFHGGJFSA-N 1 0 330.394 3.326 20 10 EGCDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cc(OC)ccc1O)c1ccccc1 ZINC000191641771 1295699432 /nfs/dbraw/zinc/69/94/32/1295699432.db2.gz POEXFINUHJPTRU-FQEVSTJZSA-N 1 0 343.423 3.011 20 10 EGCDRO CC[C@H](C[NH2+]Cc1c(O)cccc1Cl)NC(=O)OC(C)(C)C ZINC000227721284 1296148177 /nfs/dbraw/zinc/14/81/77/1296148177.db2.gz OGRDRQWCLHQFPC-LLVKDONJSA-N 1 0 328.840 3.439 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000870972335 1296161418 /nfs/dbraw/zinc/16/14/18/1296161418.db2.gz XZTSWVLHBOYSNU-QAQDUYKDSA-N 1 0 325.456 3.178 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000237489276 1296246392 /nfs/dbraw/zinc/24/63/92/1296246392.db2.gz XOGBPYJYWDZKDE-PBHICJAKSA-N 1 0 325.456 3.354 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]([NH3+])C2CC2)c(C)n1-c1cccc(Cl)c1 ZINC000237740108 1296260411 /nfs/dbraw/zinc/26/04/11/1296260411.db2.gz DGCWODJFTDBQPX-KRWDZBQOSA-N 1 0 331.847 3.215 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@H]1Oc1ccccc1 ZINC000249462056 1296444485 /nfs/dbraw/zinc/44/44/85/1296444485.db2.gz RDKQORNINOJWMK-BHIYHBOVSA-N 1 0 331.387 3.246 20 10 EGCDRO N#Cc1csc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000304663053 1296935374 /nfs/dbraw/zinc/93/53/74/1296935374.db2.gz UPKNHNBDQXCIJI-UHFFFAOYSA-N 1 0 345.443 3.010 20 10 EGCDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@H]2c2ccccc2)c1O ZINC000313340983 1297122303 /nfs/dbraw/zinc/12/23/03/1297122303.db2.gz MULKPUVGRXDPFY-INIZCTEOSA-N 1 0 332.831 3.201 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccco2)cc1Cn1cccn1 ZINC000873008202 1297220353 /nfs/dbraw/zinc/22/03/53/1297220353.db2.gz GZSVSCZDIMEZRT-HNNXBMFYSA-N 1 0 325.412 3.254 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000326361756 1297235954 /nfs/dbraw/zinc/23/59/54/1297235954.db2.gz COJQGHRMLDYGKT-GOSISDBHSA-N 1 0 343.515 3.415 20 10 EGCDRO C[C@H]([NH2+]CCc1nnc2ccccn21)c1ccc2ccccc2c1O ZINC000327290633 1297246725 /nfs/dbraw/zinc/24/67/25/1297246725.db2.gz JUPIRCZGQIEYIE-AWEZNQCLSA-N 1 0 332.407 3.481 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000873179525 1297330073 /nfs/dbraw/zinc/33/00/73/1297330073.db2.gz LEMFYTWDJAGHSN-MRXNPFEDSA-N 1 0 335.831 3.138 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1 ZINC000873195219 1297340694 /nfs/dbraw/zinc/34/06/94/1297340694.db2.gz ZJBIVJYYKZDVAY-RTWAWAEBSA-N 1 0 340.467 3.125 20 10 EGCDRO C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000382761668 1297564452 /nfs/dbraw/zinc/56/44/52/1297564452.db2.gz ZLXCDKDMEPSRST-MRXNPFEDSA-N 1 0 338.455 3.397 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(Br)cn1 ZINC000700832926 1298179439 /nfs/dbraw/zinc/17/94/39/1298179439.db2.gz ZAPNDUOSAXGDTF-UHFFFAOYSA-N 1 0 332.245 3.256 20 10 EGCDRO CO[C@](C)(C[NH2+]Cc1ccc(N(C)C)cc1)COCc1ccccc1 ZINC000702787479 1298197013 /nfs/dbraw/zinc/19/70/13/1298197013.db2.gz HWZHTBYEBPHMOB-OAQYLSRUSA-N 1 0 342.483 3.464 20 10 EGCDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000875005895 1298198373 /nfs/dbraw/zinc/19/83/73/1298198373.db2.gz YGIAYJSKGKSGEZ-WBVHZDCISA-N 1 0 339.439 3.027 20 10 EGCDRO CO[C@](C)(C[NH2+]Cc1cc(C)ccc1O)COCc1ccccc1 ZINC000705681639 1298216922 /nfs/dbraw/zinc/21/69/22/1298216922.db2.gz UGVZSMSZSNHYFB-HXUWFJFHSA-N 1 0 329.440 3.412 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000708570988 1298242927 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EGCDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)N1CCOCC1 ZINC000756398058 1300484822 /nfs/dbraw/zinc/48/48/22/1300484822.db2.gz BGJVLHKESWICGD-QFBILLFUSA-N 1 0 334.504 3.488 20 10 EGCDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCOCC1 ZINC000756402751 1300484856 /nfs/dbraw/zinc/48/48/56/1300484856.db2.gz YJACWNVHAKPLCJ-KBXCAEBGSA-N 1 0 338.467 3.319 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc2c(cc1O)CCCC2 ZINC000756432793 1300490231 /nfs/dbraw/zinc/49/02/31/1300490231.db2.gz SYCFMGHNLRHMON-CQSZACIVSA-N 1 0 349.438 3.098 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cc(Cl)ccc1O ZINC000756458349 1300496086 /nfs/dbraw/zinc/49/60/86/1300496086.db2.gz LUKCVTCJJRAYIA-RISCZKNCSA-N 1 0 339.794 3.275 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000756457827 1300496356 /nfs/dbraw/zinc/49/63/56/1300496356.db2.gz VIRBZPNLZWFHBS-ZDUSSCGKSA-N 1 0 340.423 3.144 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756461393 1300497430 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331.387 3.411 20 10 EGCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(c2cccs2)CC1 ZINC000757611468 1300694130 /nfs/dbraw/zinc/69/41/30/1300694130.db2.gz DTNJUZRBMCKPEC-UHFFFAOYSA-N 1 0 325.437 3.324 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](CO)CC2)ccc1N1CCCCC1 ZINC000759293883 1301060273 /nfs/dbraw/zinc/06/02/73/1301060273.db2.gz GUQIMPVPQLXARJ-JCNLHEQBSA-N 1 0 347.459 3.226 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000760041274 1301211959 /nfs/dbraw/zinc/21/19/59/1301211959.db2.gz XRGAMWSGMLXWCI-TZMCWYRMSA-N 1 0 330.394 3.483 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CCN2CCc3ccccc32)c1O ZINC000761198441 1301418721 /nfs/dbraw/zinc/41/87/21/1301418721.db2.gz ORFMJIIBIUBYOJ-UHFFFAOYSA-N 1 0 332.831 3.207 20 10 EGCDRO CC(=O)Nc1ccccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223891 1301424210 /nfs/dbraw/zinc/42/42/10/1301424210.db2.gz UFWVVHMLYQGQEB-UHFFFAOYSA-N 1 0 341.455 3.222 20 10 EGCDRO CC[C@](C)([NH3+])c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379136 1301548132 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C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(N(C)C)cc1 ZINC000764806473 1302139341 /nfs/dbraw/zinc/13/93/41/1302139341.db2.gz QHVWTLBKKZJSQM-HNAYVOBHSA-N 1 0 344.503 3.130 20 10 EGCDRO CC[NH+]1CCC(n2nccc2NCc2cc(F)cc(F)c2O)CC1 ZINC000882964958 1302186340 /nfs/dbraw/zinc/18/63/40/1302186340.db2.gz SJDNCMQUEPLPGX-UHFFFAOYSA-N 1 0 336.386 3.136 20 10 EGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000882971985 1302187451 /nfs/dbraw/zinc/18/74/51/1302187451.db2.gz ZDWGTLJBMCCHED-MRXNPFEDSA-N 1 0 346.421 3.325 20 10 EGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883092986 1302244370 /nfs/dbraw/zinc/24/43/70/1302244370.db2.gz FYLRVDIJGNPKCQ-LLVKDONJSA-N 1 0 342.386 3.017 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765728603 1302315696 /nfs/dbraw/zinc/31/56/96/1302315696.db2.gz MLAFJUQUIFYRNX-DLBZAZTESA-N 1 0 349.494 3.187 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000765844357 1302338394 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C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)c1ccccc1 ZINC000839564640 1320938374 /nfs/dbraw/zinc/93/83/74/1320938374.db2.gz WKYIGQRLTTVZOM-HOTGVXAUSA-N 1 0 325.456 3.455 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1O ZINC000858010840 1328655916 /nfs/dbraw/zinc/65/59/16/1328655916.db2.gz HGJWUXGUYBQZIH-MRXNPFEDSA-N 1 0 328.412 3.148 20 10 EGCDRO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)nc1 ZINC000858039733 1328668493 /nfs/dbraw/zinc/66/84/93/1328668493.db2.gz HVFMFUHJDVCZNU-GOSISDBHSA-N 1 0 325.456 3.418 20 10 EGCDRO COc1cc(N2CC[NH+](Cc3cccc(C)c3O)CC2)ccc1F ZINC000802660008 1317023458 /nfs/dbraw/zinc/02/34/58/1317023458.db2.gz WJCDWUHFSFVNDG-UHFFFAOYSA-N 1 0 330.403 3.171 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000802658523 1317023856 /nfs/dbraw/zinc/02/38/56/1317023856.db2.gz HYPALQBLMRDHHX-OAHLLOKOSA-N 1 0 340.192 3.117 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CCO)Cc2ccccc2)cc1F ZINC000858162081 1328700333 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CSc1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000905414903 1317957356 /nfs/dbraw/zinc/95/73/56/1317957356.db2.gz QIIBJFSNLUGLHZ-UHFFFAOYSA-N 1 0 328.485 3.167 20 10 EGCDRO COC[C@]1(C[NH2+]Cc2c(O)cccc2Cl)OCCc2ccccc21 ZINC000810158976 1317965689 /nfs/dbraw/zinc/96/56/89/1317965689.db2.gz YPFRHYVFLFQOME-IBGZPJMESA-N 1 0 347.842 3.250 20 10 EGCDRO CCc1nncn1CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220575 1317978703 /nfs/dbraw/zinc/97/87/03/1317978703.db2.gz ABZIPJIJFMDUHU-ZDUSSCGKSA-N 1 0 342.365 3.306 20 10 EGCDRO CC[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810240971 1317984455 /nfs/dbraw/zinc/98/44/55/1317984455.db2.gz JVKKRECCJYBQOG-IPQOISQHSA-N 1 0 335.391 3.363 20 10 EGCDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810254251 1317988239 /nfs/dbraw/zinc/98/82/39/1317988239.db2.gz KVXZULACAQQOEI-HZPDHXFCSA-N 1 0 337.483 3.042 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H](O)COCc2ccccc2)cc1C ZINC000858332133 1328739126 /nfs/dbraw/zinc/73/91/26/1328739126.db2.gz ORMBQIHDRWLBOO-LJQANCHMSA-N 1 0 329.440 3.066 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2ccco2)cc1C ZINC000959841911 1318219226 /nfs/dbraw/zinc/21/92/26/1318219226.db2.gz OIMBCUINKVNOQR-KRWDZBQOSA-N 1 0 342.439 3.381 20 10 EGCDRO Fc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000812771820 1318451039 /nfs/dbraw/zinc/45/10/39/1318451039.db2.gz AEWUWWQMEFCVLF-MRXNPFEDSA-N 1 0 326.415 3.377 20 10 EGCDRO O=C1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CN1c1ccccc1F ZINC000812782270 1318453845 /nfs/dbraw/zinc/45/38/45/1318453845.db2.gz PHRQPHRUOASDST-LLVKDONJSA-N 1 0 334.778 3.080 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@H](C)[C@H](OC)C3(C)C)CC2)cc1 ZINC000812842157 1318468495 /nfs/dbraw/zinc/46/84/95/1318468495.db2.gz FJGZIBGYGFNLNG-KYNGSXCRSA-N 1 0 332.488 3.313 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCSCCC[NH3+] ZINC000911633346 1318754743 /nfs/dbraw/zinc/75/47/43/1318754743.db2.gz QEOFOCZKIGSBMQ-UHFFFAOYSA-N 1 0 349.544 3.107 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)ccc1N(C)C ZINC000815090324 1318887902 /nfs/dbraw/zinc/88/79/02/1318887902.db2.gz UTWBQSWXSGXFKI-KRWDZBQOSA-N 1 0 347.503 3.454 20 10 EGCDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000815160342 1318916998 /nfs/dbraw/zinc/91/69/98/1318916998.db2.gz XEIYMBWARIJQEK-HNAYVOBHSA-N 1 0 347.459 3.226 20 10 EGCDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000815160367 1318917326 /nfs/dbraw/zinc/91/73/26/1318917326.db2.gz XWGYNXPDTPMKEI-MLGOLLRUSA-N 1 0 330.394 3.412 20 10 EGCDRO CC[S@@](=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815579668 1319018756 /nfs/dbraw/zinc/01/87/56/1319018756.db2.gz SCJZWNWUDMIPPT-WZONZLPQSA-N 1 0 331.481 3.424 20 10 EGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581573 1319021475 /nfs/dbraw/zinc/02/14/75/1319021475.db2.gz JRGAXXRZALZNNV-JTQLQIEISA-N 1 0 338.458 3.467 20 10 EGCDRO CCCC[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCS(=O)(=O)C1 ZINC000816481672 1319163318 /nfs/dbraw/zinc/16/33/18/1319163318.db2.gz DZSHJSCLDDSKPA-KRWDZBQOSA-N 1 0 347.480 3.335 20 10 EGCDRO CC[N@H+](Cc1ccc2ccccc2c1O)[C@H](C)CS(=O)(=O)CC ZINC000816511991 1319168970 /nfs/dbraw/zinc/16/89/70/1319168970.db2.gz SOPHCWWIKLHDNB-CQSZACIVSA-N 1 0 335.469 3.191 20 10 EGCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)s1 ZINC000816589129 1319188133 /nfs/dbraw/zinc/18/81/33/1319188133.db2.gz MHHGMCWYAJHQIS-UHFFFAOYSA-N 1 0 347.461 3.300 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CCOCc2ccccc2)c1 ZINC000930217299 1328813631 /nfs/dbraw/zinc/81/36/31/1328813631.db2.gz VQDJQCSTBFJOHL-RDJZCZTQSA-N 1 0 345.439 3.019 20 10 EGCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CO)CC2)ccc1N1CCCCC1 ZINC000816665682 1319205338 /nfs/dbraw/zinc/20/53/38/1319205338.db2.gz QNUGIBWHJBXTQG-INIZCTEOSA-N 1 0 347.459 3.180 20 10 EGCDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897968 1319455066 /nfs/dbraw/zinc/45/50/66/1319455066.db2.gz YEPCWSWSWDVFAT-HKUYNNGSSA-N 1 0 345.531 3.312 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938586 1319465903 /nfs/dbraw/zinc/46/59/03/1319465903.db2.gz NPQRMZISORFZEM-VQTJNVASSA-N 1 0 339.483 3.428 20 10 EGCDRO COc1ccc(OC)c([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817938798 1319467125 /nfs/dbraw/zinc/46/71/25/1319467125.db2.gz SMNVXGLFPJVFRW-IFXJQAMLSA-N 1 0 343.471 3.120 20 10 EGCDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940245 1319468024 /nfs/dbraw/zinc/46/80/24/1319468024.db2.gz DZHGGQVNZOMXFW-ROUUACIJSA-N 1 0 343.446 3.177 20 10 EGCDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCCCSc1nccs1 ZINC000817941944 1319469979 /nfs/dbraw/zinc/46/99/79/1319469979.db2.gz UDSHVSLLUHSBOZ-ZDUSSCGKSA-N 1 0 327.519 3.039 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)COC2 ZINC000817941130 1319470040 /nfs/dbraw/zinc/47/00/40/1319470040.db2.gz JDAHEYZTNWQKDY-JLTOFOAXSA-N 1 0 325.456 3.133 20 10 EGCDRO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817942055 1319470283 /nfs/dbraw/zinc/47/02/83/1319470283.db2.gz WGHMJOJUGMHDLE-VIFPVBQESA-N 1 0 347.684 3.458 20 10 EGCDRO C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)c(F)cc1[O-] ZINC000817946972 1319473664 /nfs/dbraw/zinc/47/36/64/1319473664.db2.gz IYKLQQRSRATSLC-XNWIYYODSA-N 1 0 331.229 3.214 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000817956421 1319476422 /nfs/dbraw/zinc/47/64/22/1319476422.db2.gz YQSMLOLMTIODKR-CQSZACIVSA-N 1 0 325.412 3.119 20 10 EGCDRO Nc1ccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000817956376 1319476426 /nfs/dbraw/zinc/47/64/26/1319476426.db2.gz XRTYZNDNQBOIBD-GOSISDBHSA-N 1 0 325.412 3.330 20 10 EGCDRO COCCOc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000817955876 1319476444 /nfs/dbraw/zinc/47/64/44/1319476444.db2.gz JZLHBRAQIUYNLP-OAHLLOKOSA-N 1 0 344.455 3.196 20 10 EGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000817956420 1319476719 /nfs/dbraw/zinc/47/67/19/1319476719.db2.gz YQSMLOLMTIODKR-AWEZNQCLSA-N 1 0 325.412 3.119 20 10 EGCDRO Nc1ccc(CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)cc1 ZINC000817956428 1319476725 /nfs/dbraw/zinc/47/67/25/1319476725.db2.gz YUGNXYQCIUCGSA-UHFFFAOYSA-N 1 0 331.410 3.348 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(Br)c(F)cc1[O-] ZINC000817981236 1319485609 /nfs/dbraw/zinc/48/56/09/1319485609.db2.gz HTZXIJHTDPIETH-AEJSXWLSSA-N 1 0 331.229 3.072 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CCC(=O)Nc1cccnc1 ZINC000819376906 1319713729 /nfs/dbraw/zinc/71/37/29/1319713729.db2.gz KFIYCAGLHXHTEM-INIZCTEOSA-N 1 0 340.471 3.005 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC3(C)C)C2)cc1C ZINC000961728269 1319715853 /nfs/dbraw/zinc/71/58/53/1319715853.db2.gz PJUDWNXFOQIGKG-JCYILVPMSA-N 1 0 330.472 3.034 20 10 EGCDRO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(N(C)C)cc1 ZINC000917074582 1319750334 /nfs/dbraw/zinc/75/03/34/1319750334.db2.gz AVDVXVROKUNQAO-UHFFFAOYSA-N 1 0 331.504 3.366 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H](C)C3CCC3)C2)cc1C ZINC000961981339 1319790405 /nfs/dbraw/zinc/79/04/05/1319790405.db2.gz LYZPZGYSZQBCAO-LSJNQWAISA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(O)c(C[NH2+]CCOc2ccc(F)c(Cl)c2)c1 ZINC000824589113 1320267686 /nfs/dbraw/zinc/26/76/86/1320267686.db2.gz AESJSEWXNCMYAP-UHFFFAOYSA-N 1 0 325.767 3.362 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000824721909 1320279791 /nfs/dbraw/zinc/27/97/91/1320279791.db2.gz KVHKCTWNETVSMP-KFWWJZLASA-N 1 0 325.836 3.180 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1F ZINC000824954193 1320299717 /nfs/dbraw/zinc/29/97/17/1320299717.db2.gz PESHFENOBZJHBQ-APWZRJJASA-N 1 0 329.419 3.297 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)c1O ZINC000825016542 1320304514 /nfs/dbraw/zinc/30/45/14/1320304514.db2.gz DQTZIOQAMZHFMX-GWCFXTLKSA-N 1 0 336.233 3.455 20 10 EGCDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000825104363 1320310622 /nfs/dbraw/zinc/31/06/22/1320310622.db2.gz VBHWHNHWMRQHHQ-RBUKOAKNSA-N 1 0 348.462 3.052 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133604 1320313625 /nfs/dbraw/zinc/31/36/25/1320313625.db2.gz JMNUZKYNGWDWBA-OAHLLOKOSA-N 1 0 326.234 3.157 20 10 EGCDRO OCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CCSCC1 ZINC000825130415 1320313850 /nfs/dbraw/zinc/31/38/50/1320313850.db2.gz XTOCZMWCUPAXKC-UHFFFAOYSA-N 1 0 334.529 3.367 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1C ZINC000825189266 1320317227 /nfs/dbraw/zinc/31/72/27/1320317227.db2.gz ZEPWQLUHHQQIQZ-SJORKVTESA-N 1 0 325.456 3.260 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1O ZINC000825294408 1320324474 /nfs/dbraw/zinc/32/44/74/1320324474.db2.gz PTRNLWGZRMUYIF-ZBFHGGJFSA-N 1 0 332.444 3.142 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825304001 1320325432 /nfs/dbraw/zinc/32/54/32/1320325432.db2.gz PFXFFVQWLBKIKE-UHFFFAOYSA-N 1 0 332.831 3.046 20 10 EGCDRO COCC1(C)CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825455310 1320340410 /nfs/dbraw/zinc/34/04/10/1320340410.db2.gz IPWMJJVSGGLJMH-UHFFFAOYSA-N 1 0 328.250 3.403 20 10 EGCDRO C[C@@]1([NH2+]Cc2ccc(Br)cc2O)CCO[C@H]1C1CC1 ZINC000825500474 1320342930 /nfs/dbraw/zinc/34/29/30/1320342930.db2.gz CLZICQSDZIXYPI-LSDHHAIUSA-N 1 0 326.234 3.202 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cccc(F)c2OC(F)F)c(O)c1 ZINC000825752790 1320360690 /nfs/dbraw/zinc/36/06/90/1320360690.db2.gz JHENWXAFTMZGAO-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H](O)c1ccccc1 ZINC000825940185 1320373283 /nfs/dbraw/zinc/37/32/83/1320373283.db2.gz PCFZZLJXQIDKPG-BDJLRTHQSA-N 1 0 336.229 3.366 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(Cl)c(C)cc3O)[C@@H]2C1 ZINC000825944145 1320373681 /nfs/dbraw/zinc/37/36/81/1320373681.db2.gz RDAHFGGSXAQCRH-YSVLISHTSA-N 1 0 336.863 3.091 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000825943710 1320373864 /nfs/dbraw/zinc/37/38/64/1320373864.db2.gz ISGSBMNSXMMKLR-LBPRGKRZSA-N 1 0 334.213 3.421 20 10 EGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1(CO)CCC1 ZINC000825959380 1320375311 /nfs/dbraw/zinc/37/53/11/1320375311.db2.gz JOJORIBYXOZTPC-OAHLLOKOSA-N 1 0 342.277 3.432 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000827341060 1320445806 /nfs/dbraw/zinc/44/58/06/1320445806.db2.gz RTCKWIQXJGZRJQ-HXUWFJFHSA-N 1 0 337.467 3.036 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000827377333 1320449097 /nfs/dbraw/zinc/44/90/97/1320449097.db2.gz VXYGJXLKSVYJPD-CTNGQTDRSA-N 1 0 344.499 3.304 20 10 EGCDRO COc1ccccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146494 1320880619 /nfs/dbraw/zinc/88/06/19/1320880619.db2.gz JWONRKXZTALTHI-UHFFFAOYSA-N 1 0 348.393 3.100 20 10 EGCDRO C[C@@H]([NH2+]CC[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000839540804 1320934683 /nfs/dbraw/zinc/93/46/83/1320934683.db2.gz FIXRZEDSXCHOCZ-UTKZUKDTSA-N 1 0 340.467 3.298 20 10 EGCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000839628148 1320947441 /nfs/dbraw/zinc/94/74/41/1320947441.db2.gz DKZWMXQPLHWADO-MJGOQNOKSA-N 1 0 329.371 3.136 20 10 EGCDRO COc1cc(C[NH+]2CCC3(CC2)OCCCO3)c(O)c(C(C)(C)C)c1 ZINC000840084947 1321024455 /nfs/dbraw/zinc/02/44/55/1321024455.db2.gz AIOWXPHCLMLXEZ-UHFFFAOYSA-N 1 0 349.471 3.427 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1O ZINC000840159561 1321041298 /nfs/dbraw/zinc/04/12/98/1321041298.db2.gz IVPGAWAUTFHZDJ-LJQANCHMSA-N 1 0 335.444 3.263 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cc4n(n3)CCC4)CC2)cc1 ZINC000840721128 1321134441 /nfs/dbraw/zinc/13/44/41/1321134441.db2.gz SLMRJUPVFLEMDL-HNNXBMFYSA-N 1 0 340.471 3.158 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@](C)(OC)C3CC3)CC2)cc1 ZINC000840858982 1321163626 /nfs/dbraw/zinc/16/36/26/1321163626.db2.gz FQDRZDKIBWGWSF-MGPUTAFESA-N 1 0 332.488 3.457 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000840933689 1321180178 /nfs/dbraw/zinc/18/01/78/1321180178.db2.gz HTQSLUSIJAVXAE-UHFFFAOYSA-N 1 0 343.446 3.110 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000840942131 1321183286 /nfs/dbraw/zinc/18/32/86/1321183286.db2.gz SYZLVPMQAZUFMF-GOEBONIOSA-N 1 0 330.394 3.196 20 10 EGCDRO CC(C)[C@@H]1[N@H+](Cc2ccc(N3CCOCC3)cc2)CC12CCOCC2 ZINC000840968571 1321190122 /nfs/dbraw/zinc/19/01/22/1321190122.db2.gz AIWNKZJXDMBZFA-FQEVSTJZSA-N 1 0 344.499 3.160 20 10 EGCDRO OCC1([C@H]([NH2+]Cc2ccccc2O)c2ccccc2)CCOCC1 ZINC000840972700 1321191689 /nfs/dbraw/zinc/19/16/89/1321191689.db2.gz RNWMKJZUIMYBNK-LJQANCHMSA-N 1 0 327.424 3.012 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H]2NCCc3ccccc32)ccc1OC ZINC000841068881 1321212889 /nfs/dbraw/zinc/21/28/89/1321212889.db2.gz JQRUWIPYEWYMLR-FQEVSTJZSA-N 1 0 340.467 3.208 20 10 EGCDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(N)cc1 ZINC000841301536 1321249701 /nfs/dbraw/zinc/24/97/01/1321249701.db2.gz SWUJVRSYOSJBQS-UHFFFAOYSA-N 1 0 348.397 3.143 20 10 EGCDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(N)cc1 ZINC000841300796 1321249912 /nfs/dbraw/zinc/24/99/12/1321249912.db2.gz UHDLIFQBMONNGM-UHFFFAOYSA-N 1 0 346.397 3.397 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c(O)c1 ZINC000841888260 1321326414 /nfs/dbraw/zinc/32/64/14/1321326414.db2.gz GLEIXWCOQKJANF-UHFFFAOYSA-N 1 0 333.350 3.334 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1F ZINC000841893657 1321327869 /nfs/dbraw/zinc/32/78/69/1321327869.db2.gz HNOLNTQWGHJPHO-CQSZACIVSA-N 1 0 329.410 3.101 20 10 EGCDRO CCCN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000843052549 1321461896 /nfs/dbraw/zinc/46/18/96/1321461896.db2.gz NQPKKFZBSLHYDY-QGZVFWFLSA-N 1 0 346.475 3.159 20 10 EGCDRO CCCN(Cc1cc(C)cc(Br)c1O)[C@H]1CC[NH2+]C1 ZINC000843052489 1321462499 /nfs/dbraw/zinc/46/24/99/1321462499.db2.gz MNSKZLWNFYCCFY-ZDUSSCGKSA-N 1 0 327.266 3.037 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000843059512 1321463750 /nfs/dbraw/zinc/46/37/50/1321463750.db2.gz NOMSNVMKQIREFR-WHOFXGATSA-N 1 0 339.277 3.022 20 10 EGCDRO c1cc([C@H]2C[NH2+]CCN2Cc2ccc(N3CCCCC3)cc2)ccn1 ZINC000843120324 1321473229 /nfs/dbraw/zinc/47/32/29/1321473229.db2.gz FKWVVRCJKRWZNV-OAQYLSRUSA-N 1 0 336.483 3.218 20 10 EGCDRO Cc1cc(Br)cc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843123738 1321473371 /nfs/dbraw/zinc/47/33/71/1321473371.db2.gz OXRDFPPZHYUQJJ-MRXNPFEDSA-N 1 0 339.277 3.039 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)NCCC[NH2+]C(C)C)c2C)cc1 ZINC000843334873 1321502107 /nfs/dbraw/zinc/50/21/07/1321502107.db2.gz UWTSDKXFSBLREX-UHFFFAOYSA-N 1 0 343.471 3.221 20 10 EGCDRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000843415529 1321514269 /nfs/dbraw/zinc/51/42/69/1321514269.db2.gz CHHFZYCRAMVBRQ-VXGBXAGGSA-N 1 0 326.412 3.313 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])c1ccccc1C ZINC000843487936 1321522339 /nfs/dbraw/zinc/52/23/39/1321522339.db2.gz MNEONTYSALPWPH-LJQANCHMSA-N 1 0 325.456 3.110 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]([NH3+])CC(F)F ZINC000843484307 1321522472 /nfs/dbraw/zinc/52/24/72/1321522472.db2.gz JPBNLXWCBYWAFA-CJNGLKHVSA-N 1 0 348.393 3.465 20 10 EGCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@@H](C)[NH3+])cc1 ZINC000844165976 1321575213 /nfs/dbraw/zinc/57/52/13/1321575213.db2.gz TZRNPYMIIVRFDR-OAHLLOKOSA-N 1 0 341.455 3.032 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2c(C)nc3ccccn32)cc1 ZINC000844400703 1321600734 /nfs/dbraw/zinc/60/07/34/1321600734.db2.gz GZVLDOPRRGLPBS-UHFFFAOYSA-N 1 0 338.455 3.220 20 10 EGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc(NC(C)=O)c2)cc1 ZINC000844400278 1321600862 /nfs/dbraw/zinc/60/08/62/1321600862.db2.gz ZCUVZOXCWVMXSD-UHFFFAOYSA-N 1 0 341.455 3.222 20 10 EGCDRO CC[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(C(F)(F)F)cc1O ZINC000846083699 1321767194 /nfs/dbraw/zinc/76/71/94/1321767194.db2.gz AAJZFKHVRCKMKG-CYBMUJFWSA-N 1 0 330.350 3.074 20 10 EGCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000846097217 1321767295 /nfs/dbraw/zinc/76/72/95/1321767295.db2.gz NUQUEZQTYFBWQB-RISCZKNCSA-N 1 0 344.377 3.320 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1O ZINC000846142677 1321770790 /nfs/dbraw/zinc/77/07/90/1321770790.db2.gz BZFAJYLXDVLBMW-GFCCVEGCSA-N 1 0 348.830 3.135 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1O ZINC000846165489 1321773325 /nfs/dbraw/zinc/77/33/25/1321773325.db2.gz NWXKIEYEEKTRBY-ZDUSSCGKSA-N 1 0 342.395 3.208 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846173507 1321774272 /nfs/dbraw/zinc/77/42/72/1321774272.db2.gz SDRYCAROPSXPTQ-KBXCAEBGSA-N 1 0 344.455 3.363 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1cc2c(cc1O)CCCC2 ZINC000846213215 1321776810 /nfs/dbraw/zinc/77/68/10/1321776810.db2.gz HKWHKSOVJRNROH-AWEZNQCLSA-N 1 0 349.434 3.130 20 10 EGCDRO CC[N@H+](CCCNC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 ZINC000846369417 1321785585 /nfs/dbraw/zinc/78/55/85/1321785585.db2.gz PBALZWWZNPLXOI-BENRWUELSA-N 1 0 346.471 3.272 20 10 EGCDRO Cc1cc(C(=O)NCCC2CC[NH2+]CC2)c(C)n1-c1ccc(F)cc1 ZINC000846699471 1321802088 /nfs/dbraw/zinc/80/20/88/1321802088.db2.gz KFVWQLQOISVKFB-UHFFFAOYSA-N 1 0 343.446 3.353 20 10 EGCDRO COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)o1 ZINC000848894608 1322034292 /nfs/dbraw/zinc/03/42/92/1322034292.db2.gz LGXHGEHAXCHQBG-CSKARUKUSA-N 1 0 340.423 3.138 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000848924968 1322045971 /nfs/dbraw/zinc/04/59/71/1322045971.db2.gz IYXZXZRKHUDXBA-HXUWFJFHSA-N 1 0 330.472 3.057 20 10 EGCDRO CC(C)[N@H+](CCC(=O)N1CCCCC1)Cc1ccc(N(C)C)cc1 ZINC000920206012 1322149794 /nfs/dbraw/zinc/14/97/94/1322149794.db2.gz BGPURPZIUYLREX-UHFFFAOYSA-N 1 0 331.504 3.366 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000850010920 1322180613 /nfs/dbraw/zinc/18/06/13/1322180613.db2.gz JDDOZKSRZWRXBW-FQEVSTJZSA-N 1 0 326.440 3.210 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c(O)c(C(C)(C)C)c1 ZINC000850151186 1322199201 /nfs/dbraw/zinc/19/92/01/1322199201.db2.gz SREFLWPYSRVJLC-CQSZACIVSA-N 1 0 329.444 3.069 20 10 EGCDRO COc1cc(C[NH2+]C[C@@H](CO)Cc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850199498 1322204965 /nfs/dbraw/zinc/20/49/65/1322204965.db2.gz ONNWWTKCRFYUPN-AWEZNQCLSA-N 1 0 347.455 3.232 20 10 EGCDRO COc1cc(C[NH2+]Cc2cccc(N(C)C)n2)c(O)c(C(C)(C)C)c1 ZINC000850226924 1322210448 /nfs/dbraw/zinc/21/04/48/1322210448.db2.gz OBLHSSSRHAAEPL-UHFFFAOYSA-N 1 0 343.471 3.449 20 10 EGCDRO COc1cc(C[NH2+]CCc2nccnc2C)c(O)c(C(C)(C)C)c1 ZINC000850311681 1322226291 /nfs/dbraw/zinc/22/62/91/1322226291.db2.gz YKHNOTLRELCBSY-UHFFFAOYSA-N 1 0 329.444 3.129 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)Cc2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850316401 1322226629 /nfs/dbraw/zinc/22/66/29/1322226629.db2.gz JYDBLGPHAUBICH-CYBMUJFWSA-N 1 0 331.460 3.153 20 10 EGCDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000850366753 1322234562 /nfs/dbraw/zinc/23/45/62/1322234562.db2.gz JFQPVDHTWVGTCH-MRXNPFEDSA-N 1 0 335.448 3.082 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2N2CCCC2)c1 ZINC000850500080 1322257616 /nfs/dbraw/zinc/25/76/16/1322257616.db2.gz CODYJEYOHHKQCE-CQSZACIVSA-N 1 0 327.428 3.247 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c2c1c(F)ccc2O ZINC000850500519 1322257780 /nfs/dbraw/zinc/25/77/80/1322257780.db2.gz FCDNEHZWHYQKNM-YFHOXSNXSA-N 1 0 325.449 3.359 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Br)ccc1O ZINC000850546133 1322263570 /nfs/dbraw/zinc/26/35/70/1322263570.db2.gz WMZIDPMRDGWXMO-JQWIXIFHSA-N 1 0 328.250 3.214 20 10 EGCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000850551505 1322264833 /nfs/dbraw/zinc/26/48/33/1322264833.db2.gz VWMLULMKHYXSFK-CQSZACIVSA-N 1 0 337.439 3.165 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)CC1 ZINC000850567487 1322270072 /nfs/dbraw/zinc/27/00/72/1322270072.db2.gz DDXICFCQOPJFBC-HXUWFJFHSA-N 1 0 344.499 3.087 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c(O)c1 ZINC000850574765 1322270688 /nfs/dbraw/zinc/27/06/88/1322270688.db2.gz JPZANSBDBBNYRB-OAHLLOKOSA-N 1 0 339.439 3.471 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(N2CCOCC2)cc1 ZINC000921591048 1322360321 /nfs/dbraw/zinc/36/03/21/1322360321.db2.gz GBRYKHYPCYYXCB-INIZCTEOSA-N 1 0 338.451 3.309 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)cc1C ZINC001026965167 1325110934 /nfs/dbraw/zinc/11/09/34/1325110934.db2.gz JTPNNCNEGVGCGD-DBXWQHBBSA-N 1 0 342.483 3.132 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)cc1C ZINC001026965168 1325111350 /nfs/dbraw/zinc/11/13/50/1325111350.db2.gz JTPNNCNEGVGCGD-WAOWUJCRSA-N 1 0 342.483 3.132 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(C)(C)C3CC3)C2)cc1C ZINC001027011307 1325151212 /nfs/dbraw/zinc/15/12/12/1325151212.db2.gz PVRWCZRQBMDZKP-KRWDZBQOSA-N 1 0 344.499 3.378 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)n1-c1ccccn1 ZINC000855287051 1325367903 /nfs/dbraw/zinc/36/79/03/1325367903.db2.gz HIDCOZISKUWZKU-INIZCTEOSA-N 1 0 340.471 3.092 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCC[C@H]3CCCO)C2)cc1 ZINC000926613123 1327635582 /nfs/dbraw/zinc/63/55/82/1327635582.db2.gz SUCGGDHEKLNURC-LVCYWYKZSA-N 1 0 346.515 3.442 20 10 EGCDRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000927082464 1327850193 /nfs/dbraw/zinc/85/01/93/1327850193.db2.gz AWJWHFZDYSGSJK-WBVHZDCISA-N 1 0 336.451 3.272 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000862367792 1329478710 /nfs/dbraw/zinc/47/87/10/1329478710.db2.gz VLKKOIKLQGQVLV-HNNXBMFYSA-N 1 0 336.229 3.368 20 10 EGCDRO C[C@@H]1CN(Cc2c(O)cccc2Br)CC[N@@H+](C2CC2)C1 ZINC000862380611 1329480773 /nfs/dbraw/zinc/48/07/73/1329480773.db2.gz KTOVCQUOXXVDQB-GFCCVEGCSA-N 1 0 339.277 3.071 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc(C4CC4)o3)C2)cc1 ZINC000862397031 1329482348 /nfs/dbraw/zinc/48/23/48/1329482348.db2.gz AHZJVSIEICCWEH-AWEZNQCLSA-N 1 0 327.428 3.177 20 10 EGCDRO CCOC(=O)CN(Cc1ccc2[nH]ccc2c1)Cc1ccccc1O ZINC000862397904 1329482815 /nfs/dbraw/zinc/48/28/15/1329482815.db2.gz PRIIMIHJGWEXLQ-UHFFFAOYSA-N 1 0 338.407 3.439 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCc2c(O)cccc2C1 ZINC000862529335 1329492730 /nfs/dbraw/zinc/49/27/30/1329492730.db2.gz KZULJDLYRBFVAG-UHFFFAOYSA-N 1 0 334.213 3.419 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)Cc2ccccc21 ZINC000863332258 1329547262 /nfs/dbraw/zinc/54/72/62/1329547262.db2.gz COVZTPPOLSAABR-SFHVURJKSA-N 1 0 325.408 3.281 20 10 EGCDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000866240349 1330083859 /nfs/dbraw/zinc/08/38/59/1330083859.db2.gz CFZUBXIHGJEDRL-NRFANRHFSA-N 1 0 338.451 3.309 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866436244 1330112289 /nfs/dbraw/zinc/11/22/89/1330112289.db2.gz LJCLDYMQUATIPJ-QPUJVOFHSA-N 1 0 334.729 3.091 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@]3(C)C=CCC3)C2)cc1C ZINC000969622426 1336230007 /nfs/dbraw/zinc/23/00/07/1336230007.db2.gz JCFBIZJVLVOBPV-YLJYHZDGSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC34CCCC4)C2)cc1C ZINC000970416143 1336306361 /nfs/dbraw/zinc/30/63/61/1336306361.db2.gz NTAQVGIQCRWIKR-QZTJIDSGSA-N 1 0 342.483 3.274 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CC3CC3)CC2)cc1C ZINC001034576844 1342623422 /nfs/dbraw/zinc/62/34/22/1342623422.db2.gz UHZSKYICFVRRMV-IYARVYRRSA-N 1 0 330.472 3.321 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)C(C)C)cc1C ZINC001036509537 1343525886 /nfs/dbraw/zinc/52/58/86/1343525886.db2.gz LLZMAPHHVHSHAR-YJBOKZPZSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C(C)(F)F)cc1C ZINC001036926233 1343869512 /nfs/dbraw/zinc/86/95/12/1343869512.db2.gz VHOBRBUMZIKESZ-HUUCEWRRSA-N 1 0 340.414 3.033 20 10 EGCDRO CCC1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001045186451 1346522008 /nfs/dbraw/zinc/52/20/08/1346522008.db2.gz MSYNMWVULMPWAP-KRWDZBQOSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCC3CC3)C[C@@H]2C)cc1C ZINC001048185569 1347488245 /nfs/dbraw/zinc/48/82/45/1347488245.db2.gz VELFAXXNPRWYTM-QFBILLFUSA-N 1 0 344.499 3.378 20 10 EGCDRO CCC1(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001048377127 1347535980 /nfs/dbraw/zinc/53/59/80/1347535980.db2.gz HCKFGHQZHRTBAQ-WMZOPIPTSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3ccoc3C)C[C@@H]2C)cc1C ZINC001054371037 1349339661 /nfs/dbraw/zinc/33/96/61/1349339661.db2.gz VWTOGNRUGUEPEN-KSSFIOAISA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2C)cc1C ZINC001054392331 1349347218 /nfs/dbraw/zinc/34/72/18/1349347218.db2.gz RAGIKFDMCOAJCT-RDJZCZTQSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)/C=C(\C)C3CC3)C[C@@H]2C)cc1C ZINC001054449097 1349362965 /nfs/dbraw/zinc/36/29/65/1349362965.db2.gz OGZZNFHEHZBWGY-OPFAAXKXSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3coc(C)c3)C[C@H]2C)cc1C ZINC001054601812 1349411698 /nfs/dbraw/zinc/41/16/98/1349411698.db2.gz WGWOAEUVPZFZSD-KDOFPFPSSA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3(F)CCCC3)C[C@@H]2C)cc1C ZINC001054823552 1349479141 /nfs/dbraw/zinc/47/91/41/1349479141.db2.gz NRTKGHQEXAMUPB-RDJZCZTQSA-N 1 0 348.462 3.222 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c1O ZINC001233107317 1376571095 /nfs/dbraw/zinc/57/10/95/1376571095.db2.gz XJEBEIGWHIGFNN-MRXNPFEDSA-N 1 0 342.277 3.448 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c1O ZINC001233107301 1376570980 /nfs/dbraw/zinc/57/09/80/1376570980.db2.gz XEVKLMDYNJNQIJ-HZMBPMFUSA-N 1 0 328.250 3.056 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC3(C)C)[C@H]2C)cc1C ZINC001074608224 1356216332 /nfs/dbraw/zinc/21/63/32/1356216332.db2.gz DHKFFPDSHJMMLF-XIRDDKMYSA-N 1 0 330.472 3.129 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C)CC3)C23CCC3)cc1C ZINC001078630066 1357041799 /nfs/dbraw/zinc/04/17/99/1357041799.db2.gz SNHUWLASQYHIIR-ZWKOTPCHSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC3(C)C)C[C@H]2C)cc1C ZINC001082695813 1358077068 /nfs/dbraw/zinc/07/70/68/1358077068.db2.gz PONVDIWSTOQWPF-KBAYOESNSA-N 1 0 344.499 3.376 20 10 EGCDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323844449 1387471459 /nfs/dbraw/zinc/47/14/59/1387471459.db2.gz KBJLZPNZPTUFPB-MRXNPFEDSA-N 1 0 342.462 3.166 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC001323991635 1387504866 /nfs/dbraw/zinc/50/48/66/1387504866.db2.gz RAWRJBLZDMFRIE-CVAIRZPRSA-N 1 0 349.494 3.186 20 10 EGCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1)C(N)=O ZINC001324379400 1387614743 /nfs/dbraw/zinc/61/47/43/1387614743.db2.gz VEOHRIDPRAIWHJ-GOSISDBHSA-N 1 0 343.515 3.400 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3(C(C)C)CC3)C2)cc1C ZINC001100663097 1364209162 /nfs/dbraw/zinc/20/91/62/1364209162.db2.gz CJLXKURGLBQLAY-UHFFFAOYSA-N 1 0 344.499 3.424 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC001324600425 1387691585 /nfs/dbraw/zinc/69/15/85/1387691585.db2.gz BUWRUNKCWHSMNU-OCCSQVGLSA-N 1 0 335.411 3.219 20 10 EGCDRO O[C@@H](C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1)C(F)(F)F ZINC001324749002 1387759671 /nfs/dbraw/zinc/75/96/71/1387759671.db2.gz BCAPZBZHLYRLEM-KRWDZBQOSA-N 1 0 342.405 3.422 20 10 EGCDRO CCOc1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001325131930 1387903724 /nfs/dbraw/zinc/90/37/24/1387903724.db2.gz KNBNJEKFEHNILH-UHFFFAOYSA-N 1 0 341.411 3.316 20 10 EGCDRO O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001195275657 1368412241 /nfs/dbraw/zinc/41/22/41/1368412241.db2.gz SNRJHZRYOYJLHI-WGLILOHCSA-N 1 0 336.395 3.338 20 10 EGCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](CC4CCC4)C3)C2)cc1 ZINC001202721956 1369865848 /nfs/dbraw/zinc/86/58/48/1369865848.db2.gz KXGMSLLVLRYZPZ-OAQYLSRUSA-N 1 0 344.499 3.414 20 10 EGCDRO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203563087 1370171158 /nfs/dbraw/zinc/17/11/58/1370171158.db2.gz VEAVYGLYJQLBLV-SFHVURJKSA-N 1 0 325.408 3.348 20 10 EGCDRO COc1cccc(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)c1O ZINC001203596573 1370182599 /nfs/dbraw/zinc/18/25/99/1370182599.db2.gz JDESUKFBZQFTQA-MRXNPFEDSA-N 1 0 326.440 3.280 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c1O ZINC001203602321 1370184598 /nfs/dbraw/zinc/18/45/98/1370184598.db2.gz OVTKLRFUZVOPAC-UHFFFAOYSA-N 1 0 348.393 3.391 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(c3noc(CC)n3)CC2)c1O ZINC001203613956 1370187904 /nfs/dbraw/zinc/18/79/04/1370187904.db2.gz KYVFSHGKTLTGCQ-UHFFFAOYSA-N 1 0 331.416 3.116 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203655718 1370203837 /nfs/dbraw/zinc/20/38/37/1370203837.db2.gz BHUUKMPKRKVVAP-IRXDYDNUSA-N 1 0 343.858 3.004 20 10 EGCDRO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001203664335 1370207551 /nfs/dbraw/zinc/20/75/51/1370207551.db2.gz ZIXJZPWYAKYCSX-UHFFFAOYSA-N 1 0 340.851 3.392 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)c1 ZINC001203680299 1370216475 /nfs/dbraw/zinc/21/64/75/1370216475.db2.gz NSMGEDGGYZMFOV-FQEVSTJZSA-N 1 0 327.424 3.457 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c1 ZINC001203684566 1370217130 /nfs/dbraw/zinc/21/71/30/1370217130.db2.gz 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ZINC001204273079 1370428435 /nfs/dbraw/zinc/42/84/35/1370428435.db2.gz WZXUTPWXOAGBAQ-UHFFFAOYSA-N 1 0 326.318 3.186 20 10 EGCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@H]1Cc1ccccc1 ZINC001204321325 1370443716 /nfs/dbraw/zinc/44/37/16/1370443716.db2.gz CPRJPUJJQVEHKN-FCHUYYIVSA-N 1 0 336.479 3.465 20 10 EGCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204323684 1370444114 /nfs/dbraw/zinc/44/41/14/1370444114.db2.gz VMDYIRHQNLDLRS-RTWAWAEBSA-N 1 0 344.499 3.304 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc4c[nH]nc43)C2)cc1 ZINC001325919751 1388083099 /nfs/dbraw/zinc/08/30/99/1388083099.db2.gz XSTMIDRMFPZWIH-OAHLLOKOSA-N 1 0 336.439 3.188 20 10 EGCDRO C[C@H]1C[N@H+](Cc2c([O-])cc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001206012746 1370937781 /nfs/dbraw/zinc/93/77/81/1370937781.db2.gz NKVWVATVXJOOBL-WDEREUQCSA-N 1 0 345.256 3.101 20 10 EGCDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c1C ZINC001116589435 1370941896 /nfs/dbraw/zinc/94/18/96/1370941896.db2.gz 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CC(C)[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC[NH2+]1 ZINC001235473157 1376873175 /nfs/dbraw/zinc/87/31/75/1376873175.db2.gz XRUVIFYAPCVUJQ-FQEVSTJZSA-N 1 0 340.467 3.401 20 10 EGCDRO COc1ccc(C[N@@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC001235787261 1376894712 /nfs/dbraw/zinc/89/47/12/1376894712.db2.gz ATLAPBPUMWRFMS-KRWDZBQOSA-N 1 0 332.831 3.201 20 10 EGCDRO Oc1ccc(OCc2ccccc2)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059973 1376929385 /nfs/dbraw/zinc/92/93/85/1376929385.db2.gz KUYLPPQDOWWYPJ-HKUYNNGSSA-N 1 0 338.451 3.155 20 10 EGCDRO CCC[N@H+](Cc1cc(Br)c(F)cc1[O-])C1CC[NH2+]CC1 ZINC001236183135 1376940384 /nfs/dbraw/zinc/94/03/84/1376940384.db2.gz VBLQBFVGMGBTEZ-UHFFFAOYSA-N 1 0 345.256 3.258 20 10 EGCDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c(O)c1 ZINC001237053511 1376972695 /nfs/dbraw/zinc/97/26/95/1376972695.db2.gz LZLWXUIWGZHAGJ-GOSISDBHSA-N 1 0 330.472 3.493 20 10 EGCDRO C[N@H+](Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001237141789 1376975741 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CCNC(=O)OC1CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138258608 1377694821 /nfs/dbraw/zinc/69/48/21/1377694821.db2.gz WKCFBUCBKROWJE-UHFFFAOYSA-N 1 0 329.444 3.197 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc2c3c1CCCN3CCC2 ZINC001138336486 1377704686 /nfs/dbraw/zinc/70/46/86/1377704686.db2.gz BDKPOQUYGDOVIX-GOSISDBHSA-N 1 0 349.478 3.476 20 10 EGCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138355711 1377708269 /nfs/dbraw/zinc/70/82/69/1377708269.db2.gz AABQQHDNJXKHHB-BJLQDIEVSA-N 1 0 342.483 3.233 20 10 EGCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138355842 1377708337 /nfs/dbraw/zinc/70/83/37/1377708337.db2.gz FBISRZVGIBLUIN-HXUWFJFHSA-N 1 0 330.472 3.234 20 10 EGCDRO CCOC(=O)C[N@H+](Cc1ccc2c(c1)CCCN2C)C1CCCC1 ZINC001138357072 1377708618 /nfs/dbraw/zinc/70/86/18/1377708618.db2.gz ATUYUIAYTIOEFA-UHFFFAOYSA-N 1 0 330.472 3.377 20 10 EGCDRO CCN(CC)c1ccc(CN(C)CCC[NH+]2CCCC2)c(OC)c1 ZINC001138389500 1377714321 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CC1(C(=O)N2CCCC2)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140341331 1378049570 /nfs/dbraw/zinc/04/95/70/1378049570.db2.gz HRRZAUPBSPXEET-UHFFFAOYSA-N 1 0 336.863 3.270 20 10 EGCDRO Oc1cc(Cl)ccc1CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001140465040 1378067658 /nfs/dbraw/zinc/06/76/58/1378067658.db2.gz FWYSCXGNUQHYGU-UHFFFAOYSA-N 1 0 326.843 3.444 20 10 EGCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140465989 1378068605 /nfs/dbraw/zinc/06/86/05/1378068605.db2.gz XWOQTZKYJFCVCV-FUHWJXTLSA-N 1 0 337.847 3.206 20 10 EGCDRO CC[C@H](C)N1CC2(CCC1=O)CC[NH+](Cc1ccccc1O)CC2 ZINC001272618680 1378076295 /nfs/dbraw/zinc/07/62/95/1378076295.db2.gz MSALTPAQCGLRFV-INIZCTEOSA-N 1 0 330.472 3.395 20 10 EGCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C[C@H]1C ZINC001140585624 1378090445 /nfs/dbraw/zinc/09/04/45/1378090445.db2.gz PZELMJCAEDIAEZ-NEPJUHHUSA-N 1 0 327.371 3.082 20 10 EGCDRO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273284712 1378094430 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EGCDRO CN(C)c1ccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c(Cl)c1 ZINC001140925235 1378182059 /nfs/dbraw/zinc/18/20/59/1378182059.db2.gz PZEVMWRNLRMMCH-UHFFFAOYSA-N 1 0 337.895 3.130 20 10 EGCDRO Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001140947774 1378188373 /nfs/dbraw/zinc/18/83/73/1378188373.db2.gz FMDXZYDQYXZRFL-CVEARBPZSA-N 1 0 332.444 3.142 20 10 EGCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140949906 1378189641 /nfs/dbraw/zinc/18/96/41/1378189641.db2.gz JOMJUOCWJCRGIO-GOSISDBHSA-N 1 0 333.472 3.356 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(n3c4ccccc4oc3=O)CC2)c(O)c1 ZINC001140951064 1378189736 /nfs/dbraw/zinc/18/97/36/1378189736.db2.gz WXFDTGBEAWXLLR-UHFFFAOYSA-N 1 0 338.407 3.446 20 10 EGCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140949907 1378190427 /nfs/dbraw/zinc/19/04/27/1378190427.db2.gz JOMJUOCWJCRGIO-SFHVURJKSA-N 1 0 333.472 3.356 20 10 EGCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC001140954091 1378191279 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342.483 3.159 20 10 EGCDRO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(O)ccc1O ZINC001141159564 1378254892 /nfs/dbraw/zinc/25/48/92/1378254892.db2.gz INHNRZJINVGISI-NUTKFTJISA-N 1 0 333.428 3.040 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1O ZINC001141367614 1378312254 /nfs/dbraw/zinc/31/22/54/1378312254.db2.gz IIONKLAUSOMHDM-PRHODGIISA-N 1 0 334.641 3.011 20 10 EGCDRO COc1c(F)cccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001143533176 1378610630 /nfs/dbraw/zinc/61/06/30/1378610630.db2.gz QQZWFEBQQNQOHC-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144516468 1378739914 /nfs/dbraw/zinc/73/99/14/1378739914.db2.gz ZBKQJEBHZSIXCN-MRXNPFEDSA-N 1 0 329.396 3.287 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001327815854 1388599602 /nfs/dbraw/zinc/59/96/02/1388599602.db2.gz MEMNUIPORNNVRW-IUODEOHRSA-N 1 0 326.234 3.156 20 10 EGCDRO CCN(Cc1ccccc1O)c1cccc(OCC[NH+]2CCCC2)n1 ZINC001154889288 1380373590 /nfs/dbraw/zinc/37/35/90/1380373590.db2.gz URGRAFHMZTYKOV-UHFFFAOYSA-N 1 0 341.455 3.288 20 10 EGCDRO Oc1cc2c(cc1O)CN(c1ncccc1C[NH+]1CCCC1)CCC2 ZINC001155947938 1380507357 /nfs/dbraw/zinc/50/73/57/1380507357.db2.gz GIWMSEPLEPDTHF-UHFFFAOYSA-N 1 0 339.439 3.041 20 10 EGCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C(C)C)n1 ZINC001156657476 1380606115 /nfs/dbraw/zinc/60/61/15/1380606115.db2.gz LCFBVBYTHXBYBD-UHFFFAOYSA-N 1 0 339.487 3.272 20 10 EGCDRO Cc1cc(N2CCCC2)nc(N(C)Cc2ccc(N(C)C)cc2)[nH+]1 ZINC001156921525 1380728010 /nfs/dbraw/zinc/72/80/10/1380728010.db2.gz ZDFBWDSXKRSKRD-UHFFFAOYSA-N 1 0 325.460 3.088 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001157435817 1380891678 /nfs/dbraw/zinc/89/16/78/1380891678.db2.gz WLQUCCIFCJCJJK-HBUWYVDXSA-N 1 0 330.472 3.266 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[C@H]1CCCC[NH2+]1 ZINC001157434635 1380892609 /nfs/dbraw/zinc/89/26/09/1380892609.db2.gz POKZIAUSIIISIE-AUUYWEPGSA-N 1 0 330.472 3.281 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)cc1C ZINC001161372938 1382387950 /nfs/dbraw/zinc/38/79/50/1382387950.db2.gz URUUIIWAFZDJGR-OKZBNKHCSA-N 1 0 330.472 3.036 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001328687705 1388808588 /nfs/dbraw/zinc/80/85/88/1388808588.db2.gz BPKHINHBNADGDC-IAGOWNOFSA-N 1 0 347.503 3.258 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2occc2Cl)cc1C ZINC001165992059 1383374204 /nfs/dbraw/zinc/37/42/04/1383374204.db2.gz ZWEYQVYLFWZCNL-UHFFFAOYSA-N 1 0 336.819 3.160 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)cc1C ZINC001168830464 1384023219 /nfs/dbraw/zinc/02/32/19/1384023219.db2.gz RPPSZEFSNFNHPB-ZBFHGGJFSA-N 1 0 334.460 3.491 20 10 EGCDRO C[C@@H]1C[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CN1C(=O)OC(C)(C)C ZINC001168872652 1384042137 /nfs/dbraw/zinc/04/21/37/1384042137.db2.gz NXGOJEXWRBUXAA-UKRRQHHQSA-N 1 0 332.444 3.148 20 10 EGCDRO CC1(C)C[C@@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CO1 ZINC001172290662 1384761195 /nfs/dbraw/zinc/76/11/95/1384761195.db2.gz DUQKZULTNNGADH-CQSZACIVSA-N 1 0 344.377 3.275 20 10 EGCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1ccc(O)c(O)c1)CC2 ZINC001172901579 1384874148 /nfs/dbraw/zinc/87/41/48/1384874148.db2.gz NWAOQUAUSZDSDT-MRXNPFEDSA-N 1 0 342.395 3.086 20 10 EGCDRO CCOc1ccc(N2CC[NH+]([C@@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173147884 1384924344 /nfs/dbraw/zinc/92/43/44/1384924344.db2.gz ZXGHURKCFRXVFB-MRXNPFEDSA-N 1 0 343.496 3.221 20 10 EGCDRO CC[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(OCCOC)cc3)CC2)C1 ZINC001173293415 1384952742 /nfs/dbraw/zinc/95/27/42/1384952742.db2.gz LFDCTFSNFPFZKU-PKOBYXMFSA-N 1 0 332.488 3.413 20 10 EGCDRO CCCCCC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237873 1385880141 /nfs/dbraw/zinc/88/01/41/1385880141.db2.gz OKCCWYXNGYSTKE-UHFFFAOYSA-N 1 0 333.436 3.139 20 10 EGCDRO CCC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1CCOC ZINC001319728841 1386273041 /nfs/dbraw/zinc/27/30/41/1386273041.db2.gz LPDOZNIIRFSMCO-NRFANRHFSA-N 1 0 345.531 3.220 20 10 EGCDRO COc1ccccc1C[N@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001319811442 1386309498 /nfs/dbraw/zinc/30/94/98/1386309498.db2.gz ZAJPVBNJEOFYKH-UHFFFAOYSA-N 1 0 340.467 3.290 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC001320118856 1386524758 /nfs/dbraw/zinc/52/47/58/1386524758.db2.gz SFAXSHFEYJYXMQ-DOTOQJQBSA-N 1 0 338.451 3.497 20 10 EGCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001320131128 1386528708 /nfs/dbraw/zinc/52/87/08/1386528708.db2.gz CJGGVLMWGPETJF-OAGGEKHMSA-N 1 0 348.487 3.016 20 10 EGCDRO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2O)C1 ZINC001182341714 1387152495 /nfs/dbraw/zinc/15/24/95/1387152495.db2.gz SFESPEOOQNYBIU-IBGZPJMESA-N 1 0 338.451 3.229 20 10 EGCDRO O=C(C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCCc2ccccc21 ZINC001322611243 1387213895 /nfs/dbraw/zinc/21/38/95/1387213895.db2.gz OOHLXOGFBAYYCP-UHFFFAOYSA-N 1 0 349.478 3.356 20 10 EGCDRO Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c(C)c2)c(O)c1 ZINC001330616872 1389471832 /nfs/dbraw/zinc/47/18/32/1389471832.db2.gz YBOFCKNNPYPDQH-UHFFFAOYSA-N 1 0 325.456 3.373 20 10 EGCDRO CC(C)c1nc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC001331932301 1389916943 /nfs/dbraw/zinc/91/69/43/1389916943.db2.gz HDMZUAXVZLAFKQ-UHFFFAOYSA-N 1 0 344.528 3.308 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001334890282 1390613614 /nfs/dbraw/zinc/61/36/14/1390613614.db2.gz JLJLSPLQGDZIIO-PSOPSSQASA-N 1 0 326.234 3.202 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC001334890285 1390613765 /nfs/dbraw/zinc/61/37/65/1390613765.db2.gz JLJLSPLQGDZIIO-ZBINZKHDSA-N 1 0 326.234 3.202 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001334890284 1390613862 /nfs/dbraw/zinc/61/38/62/1390613862.db2.gz JLJLSPLQGDZIIO-YVLXSGLVSA-N 1 0 326.234 3.202 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001334890283 1390613888 /nfs/dbraw/zinc/61/38/88/1390613888.db2.gz JLJLSPLQGDZIIO-WDBKCZKBSA-N 1 0 326.234 3.202 20 10 EGCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001349841316 1391374461 /nfs/dbraw/zinc/37/44/61/1391374461.db2.gz UNJFQWBBBKCSMD-UHFFFAOYSA-N 1 0 338.451 3.292 20 10 EGCDRO Cc1cc(C(=O)N2CCC3(C[NH2+]C3)CC2)c(C)n1-c1cccc(C)c1 ZINC001354200827 1392126890 /nfs/dbraw/zinc/12/68/90/1392126890.db2.gz ADPKJUQWXFQMBX-UHFFFAOYSA-N 1 0 337.467 3.228 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2(C(F)F)CCC2)cc1C ZINC001752895614 1440241771 /nfs/dbraw/zinc/24/17/71/1440241771.db2.gz UFZOMNIZYLNVTN-CYBMUJFWSA-N 1 0 340.414 3.033 20 10 EGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](F)c2ccccc2)cc1C ZINC001753235974 1440341739 /nfs/dbraw/zinc/34/17/39/1440341739.db2.gz OAMURLCOGGPRLQ-IBGZPJMESA-N 1 0 344.430 3.262 20 10 EGCDRO CC[C@H](CNC(=O)[C@]12C[C@H]1CCC2)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753483014 1440416994 /nfs/dbraw/zinc/41/69/94/1440416994.db2.gz LDAMCOPLHICUDX-MBOZVWFJSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)C=C(C)C)C2CC2)cc1C ZINC001753512709 1440426510 /nfs/dbraw/zinc/42/65/10/1440426510.db2.gz BAKWYAGMDBNFBR-HXUWFJFHSA-N 1 0 330.472 3.344 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CC[C@H](C)C1 ZINC001754071193 1440538102 /nfs/dbraw/zinc/53/81/02/1440538102.db2.gz ZDZBPQZLPIFURC-MAUKXSAKSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H](C)c2ccco2)cc1C ZINC001754169118 1440546682 /nfs/dbraw/zinc/54/66/82/1440546682.db2.gz GKKGIBVFPUCZRT-DWTRPJMMSA-N 1 0 342.439 3.162 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)c2ccco2)cc1C ZINC001754169117 1440546764 /nfs/dbraw/zinc/54/67/64/1440546764.db2.gz GKKGIBVFPUCZRT-AWFCHZOYSA-N 1 0 342.439 3.162 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C3CC(C)C3)C2)cc1C ZINC001754693931 1440666661 /nfs/dbraw/zinc/66/66/61/1440666661.db2.gz YSFTUPJHZSQINO-RVAKQSJFSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(C(F)F)CC2)cc1C ZINC001755254562 1440792827 /nfs/dbraw/zinc/79/28/27/1440792827.db2.gz RRRNZVOXSHECTR-QWHCGFSZSA-N 1 0 340.414 3.032 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824618646 946867973 /nfs/dbraw/zinc/86/79/73/946867973.db2.gz QKNBYKTYBMLPHV-CQSZACIVSA-N 1 0 348.454 3.100 20 10 EGCDRO CCCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000825285330 947143483 /nfs/dbraw/zinc/14/34/83/947143483.db2.gz QVAMJLBKQBENJL-UHFFFAOYSA-N 1 0 337.427 3.375 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1O ZINC000776175854 1126109450 /nfs/dbraw/zinc/10/94/50/1126109450.db2.gz VWMXMZXNKXORQG-RDJZCZTQSA-N 1 0 339.357 3.325 20 10 EGCDRO CCc1cccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)c1O ZINC000877697185 1126122176 /nfs/dbraw/zinc/12/21/76/1126122176.db2.gz HPKQUALMMUGHIN-HXUWFJFHSA-N 1 0 329.440 3.047 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1C ZINC000054471302 214240121 /nfs/dbraw/zinc/24/01/21/214240121.db2.gz OTTDFBODUGTISW-OAHLLOKOSA-N 1 0 344.499 3.480 20 10 EGCDRO Fc1cc(C[NH2+][C@H]2CCCc3occc32)ccc1N1CCOCC1 ZINC000066972210 215099965 /nfs/dbraw/zinc/09/99/65/215099965.db2.gz CVEHFHFMMJSRDN-KRWDZBQOSA-N 1 0 330.403 3.423 20 10 EGCDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(N3CCCCC3)cc2)N1 ZINC000007127085 283410712 /nfs/dbraw/zinc/41/07/12/283410712.db2.gz QRJWICZIBWXUCM-GOSISDBHSA-N 1 0 346.438 3.123 20 10 EGCDRO CC(C)[N@@H+]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000095453823 218397122 /nfs/dbraw/zinc/39/71/22/218397122.db2.gz RFULOGCDIRMEQU-UHFFFAOYSA-N 1 0 327.266 3.071 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]C[C@H](c1ccccc1)N1CCCC1)OCO2 ZINC000238129114 455255387 /nfs/dbraw/zinc/25/53/87/455255387.db2.gz WVOMEPDPDWQDBE-QGZVFWFLSA-N 1 0 340.423 3.048 20 10 EGCDRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1O ZINC000183390899 455287664 /nfs/dbraw/zinc/28/76/64/455287664.db2.gz XXPZKAGCEGCUPE-VQIMIIECSA-N 1 0 326.440 3.116 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1O ZINC000183589888 455309091 /nfs/dbraw/zinc/30/90/91/455309091.db2.gz DDURDESRZQLRNG-VXGBXAGGSA-N 1 0 332.350 3.127 20 10 EGCDRO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000029886914 453832399 /nfs/dbraw/zinc/83/23/99/453832399.db2.gz HPZHWBCQBMIZGD-UHFFFAOYSA-N 1 0 342.439 3.126 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCCCn3cccn3)CC2)cc1F ZINC000084866842 454013816 /nfs/dbraw/zinc/01/38/16/454013816.db2.gz LZOKQGVQXSHHLO-UHFFFAOYSA-N 1 0 346.450 3.023 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1N(C)C ZINC000093942937 454180452 /nfs/dbraw/zinc/18/04/52/454180452.db2.gz AWSHKIOQEKVOFN-QGZVFWFLSA-N 1 0 339.483 3.440 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3nc(C)no3)CC2)c1O ZINC000184681507 455427240 /nfs/dbraw/zinc/42/72/40/455427240.db2.gz RDILEXZIDNFOGM-UHFFFAOYSA-N 1 0 337.807 3.125 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1F ZINC000131071714 454233899 /nfs/dbraw/zinc/23/38/99/454233899.db2.gz QGTWCIYDSIMQAU-UHFFFAOYSA-N 1 0 348.491 3.056 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000091894753 454485154 /nfs/dbraw/zinc/48/51/54/454485154.db2.gz AKKUXPXQYMTKQH-UHFFFAOYSA-N 1 0 330.472 3.058 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092071297 454516371 /nfs/dbraw/zinc/51/63/71/454516371.db2.gz RUCHNTQMSCILDL-LLVKDONJSA-N 1 0 336.233 3.257 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2cc(C(=O)OC)c(C)o2)c1O ZINC000122424707 454532039 /nfs/dbraw/zinc/53/20/39/454532039.db2.gz YGBCXHKPCIIJFW-UHFFFAOYSA-N 1 0 333.384 3.111 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000122577770 454549061 /nfs/dbraw/zinc/54/90/61/454549061.db2.gz BBNLDJRAEPTJQT-UHFFFAOYSA-N 1 0 326.440 3.164 20 10 EGCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093317100 454702347 /nfs/dbraw/zinc/70/23/47/454702347.db2.gz XTPXHIQTQVKMPX-HXUWFJFHSA-N 1 0 332.488 3.304 20 10 EGCDRO CCC1(CO)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093591372 454722344 /nfs/dbraw/zinc/72/23/44/454722344.db2.gz OSKPEONTLIYCPG-UHFFFAOYSA-N 1 0 328.250 3.139 20 10 EGCDRO CC[N@H+](Cc1ccc(CO)o1)Cc1cc(Br)ccc1O ZINC000093866960 454741116 /nfs/dbraw/zinc/74/11/16/454741116.db2.gz XGONQPRIHYSTHT-UHFFFAOYSA-N 1 0 340.217 3.262 20 10 EGCDRO CCC[N@H+](Cc1ccc(N(C)CCOC)nc1)Cc1ccccc1O ZINC000191290075 455474861 /nfs/dbraw/zinc/47/48/61/455474861.db2.gz LJBKTHOHZULLBM-UHFFFAOYSA-N 1 0 343.471 3.282 20 10 EGCDRO COC[C@H](C)n1c(C)cc(C(=O)CN(C)Cc2ccccc2O)c1C ZINC000111235721 454859042 /nfs/dbraw/zinc/85/90/42/454859042.db2.gz ZMPHALXMNMOTST-HNNXBMFYSA-N 1 0 344.455 3.333 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC([C@H](O)c3ccccc3)CC1)OCO2 ZINC000126197868 454877248 /nfs/dbraw/zinc/87/72/48/454877248.db2.gz DAZXCXMVWWBBHP-HXUWFJFHSA-N 1 0 341.407 3.067 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000184997862 455484126 /nfs/dbraw/zinc/48/41/26/455484126.db2.gz KHZAXWKJTMZWQD-NWDGAFQWSA-N 1 0 339.277 3.290 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000185056441 455493010 /nfs/dbraw/zinc/49/30/10/455493010.db2.gz DOFGGIIUTNYLCR-AWEZNQCLSA-N 1 0 332.419 3.323 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000177943196 454921366 /nfs/dbraw/zinc/92/13/66/454921366.db2.gz BHIDODJTUNQGHU-CVEARBPZSA-N 1 0 325.456 3.108 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NCc1ccccc1 ZINC000177943219 454922200 /nfs/dbraw/zinc/92/22/00/454922200.db2.gz BHIDODJTUNQGHU-HZPDHXFCSA-N 1 0 325.456 3.108 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000113359208 454924243 /nfs/dbraw/zinc/92/42/43/454924243.db2.gz GLNULGQMGCYIJM-QGZVFWFLSA-N 1 0 331.847 3.195 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1 ZINC000168329103 454925953 /nfs/dbraw/zinc/92/59/53/454925953.db2.gz KSZGRWIZAVPMNT-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(N(C)C)cc1 ZINC000151060683 454931258 /nfs/dbraw/zinc/93/12/58/454931258.db2.gz PUFRUERSIZONGF-QGZVFWFLSA-N 1 0 339.483 3.440 20 10 EGCDRO CSc1nnc(CCC[NH2+]Cc2cc(C)ccc2O)n1CC(C)C ZINC000114216108 454948147 /nfs/dbraw/zinc/94/81/47/454948147.db2.gz FIDZVFPYMHGLST-UHFFFAOYSA-N 1 0 348.516 3.392 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000178512921 454958405 /nfs/dbraw/zinc/95/84/05/454958405.db2.gz VZIIENSUPYVLDO-CQSZACIVSA-N 1 0 331.847 3.168 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1O ZINC000155200587 454973739 /nfs/dbraw/zinc/97/37/39/454973739.db2.gz KJIOCWLTYWXRDM-IBGZPJMESA-N 1 0 325.456 3.493 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)CCOc2ccccc2F)cc1OC ZINC000179620467 455061434 /nfs/dbraw/zinc/06/14/34/455061434.db2.gz MHCHACMOFJVJDV-UHFFFAOYSA-N 1 0 335.375 3.059 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000128508797 455063598 /nfs/dbraw/zinc/06/35/98/455063598.db2.gz WLBFPPFNBWKLNI-UHFFFAOYSA-N 1 0 337.467 3.147 20 10 EGCDRO O=C1CCCCN1CC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000128782018 455082424 /nfs/dbraw/zinc/08/24/24/455082424.db2.gz RVHGPEPXJOAVTB-UHFFFAOYSA-N 1 0 336.863 3.270 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000156141612 455086366 /nfs/dbraw/zinc/08/63/66/455086366.db2.gz SQEQLGKRPRQBCB-NVXWUHKLSA-N 1 0 325.456 3.294 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000179902058 455096133 /nfs/dbraw/zinc/09/61/33/455096133.db2.gz SCIBDKXRGORYKP-XJKSGUPXSA-N 1 0 328.387 3.378 20 10 EGCDRO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000179922192 455099952 /nfs/dbraw/zinc/09/99/52/455099952.db2.gz TUOORCWUQRKZND-UHFFFAOYSA-N 1 0 346.377 3.019 20 10 EGCDRO C[N@H+](Cc1cc(F)ccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179942208 455103230 /nfs/dbraw/zinc/10/32/30/455103230.db2.gz ZMYMSTBULZGAGU-UHFFFAOYSA-N 1 0 338.423 3.363 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118775278 455111782 /nfs/dbraw/zinc/11/17/82/455111782.db2.gz VRGMFHLEKVHQQZ-UHFFFAOYSA-N 1 0 338.407 3.472 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c1O ZINC000237382642 455179721 /nfs/dbraw/zinc/17/97/21/455179721.db2.gz CZSRIFTXGRGODO-SFHVURJKSA-N 1 0 326.440 3.328 20 10 EGCDRO CC(C)Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000182960229 455200150 /nfs/dbraw/zinc/20/01/50/455200150.db2.gz OHIBJWACHRMANV-LJQANCHMSA-N 1 0 343.471 3.426 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000237780388 455217166 /nfs/dbraw/zinc/21/71/66/455217166.db2.gz GRFQGUHSRUZAMO-INIZCTEOSA-N 1 0 336.229 3.286 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000183331721 455278687 /nfs/dbraw/zinc/27/86/87/455278687.db2.gz ZOGJTFOXGRGVSR-HOTGVXAUSA-N 1 0 328.387 3.378 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000264996326 455298150 /nfs/dbraw/zinc/29/81/50/455298150.db2.gz YHUQVEVGLMHHKV-UHFFFAOYSA-N 1 0 331.847 3.195 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000182097549 455434752 /nfs/dbraw/zinc/43/47/52/455434752.db2.gz WZIHTYFAEKIXQI-QMHKHESXSA-N 1 0 333.453 3.000 20 10 EGCDRO Cc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(O)c1O ZINC000182446026 455515188 /nfs/dbraw/zinc/51/51/88/455515188.db2.gz CVAXFLNCPIHJFH-JKSUJKDBSA-N 1 0 346.471 3.133 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c1 ZINC000191780695 455519339 /nfs/dbraw/zinc/51/93/39/455519339.db2.gz DXIGOPQUNWVNSV-QRWLVFNGSA-N 1 0 329.440 3.120 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)NC(C)(C)C ZINC000185217732 455523564 /nfs/dbraw/zinc/52/35/64/455523564.db2.gz KVEDKCITGPOJQX-UWVGGRQHSA-N 1 0 343.265 3.109 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000185446398 455559019 /nfs/dbraw/zinc/55/90/19/455559019.db2.gz AJTDHYMJCNGIHN-CYBMUJFWSA-N 1 0 332.831 3.435 20 10 EGCDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000161472686 455572852 /nfs/dbraw/zinc/57/28/52/455572852.db2.gz UWWSJFSVBSPICB-UHFFFAOYSA-N 1 0 343.515 3.460 20 10 EGCDRO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000185701693 455600308 /nfs/dbraw/zinc/60/03/08/455600308.db2.gz VMPOZQRXAKNAQP-YPMHNXCESA-N 1 0 344.249 3.001 20 10 EGCDRO COc1cccc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c1O ZINC000185746274 455613784 /nfs/dbraw/zinc/61/37/84/455613784.db2.gz RRIDKXNUHFNSOL-UHFFFAOYSA-N 1 0 328.387 3.364 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn[nH]c1 ZINC000283943272 455614054 /nfs/dbraw/zinc/61/40/54/455614054.db2.gz FLVWOESSHOHXBI-OCCSQVGLSA-N 1 0 336.386 3.331 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCO[C@H]1CCOC1 ZINC000268245774 455629911 /nfs/dbraw/zinc/62/99/11/455629911.db2.gz AVSGDAKIYFXYKK-IBGZPJMESA-N 1 0 327.424 3.344 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)ccc1OC ZINC000271430183 455633131 /nfs/dbraw/zinc/63/31/31/455633131.db2.gz NWCVWSMRZGPXOR-QGZVFWFLSA-N 1 0 335.444 3.007 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292422797 455658791 /nfs/dbraw/zinc/65/87/91/455658791.db2.gz CCEJUZOTRSJCHQ-IBGZPJMESA-N 1 0 343.496 3.323 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCC1(O)CCC1 ZINC000284272680 455660694 /nfs/dbraw/zinc/66/06/94/455660694.db2.gz AEWCCKUXUONZSW-UHFFFAOYSA-N 1 0 327.424 3.366 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000186019189 455676596 /nfs/dbraw/zinc/67/65/96/455676596.db2.gz SRRKCDCPGLFHKQ-KRWDZBQOSA-N 1 0 332.488 3.386 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c1 ZINC000186024660 455678692 /nfs/dbraw/zinc/67/86/92/455678692.db2.gz GKHBVWKDMMZHEN-LBPRGKRZSA-N 1 0 334.366 3.059 20 10 EGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268911109 455727839 /nfs/dbraw/zinc/72/78/39/455727839.db2.gz NDADQYCRIVMFDJ-VLIAUNLRSA-N 1 0 344.455 3.154 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1C ZINC000293038432 455772710 /nfs/dbraw/zinc/77/27/10/455772710.db2.gz SATCQJYBTZNGSD-UHFFFAOYSA-N 1 0 326.440 3.135 20 10 EGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000186466309 455774523 /nfs/dbraw/zinc/77/45/23/455774523.db2.gz JLKZKKXMQHHNLQ-DZGCQCFKSA-N 1 0 328.412 3.427 20 10 EGCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000193930161 455787367 /nfs/dbraw/zinc/78/73/67/455787367.db2.gz HWJLEDPYEYDGJI-UHFFFAOYSA-N 1 0 330.472 3.498 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCN(c3nccs3)CC2)ccc1N(C)C ZINC000293472871 455788207 /nfs/dbraw/zinc/78/82/07/455788207.db2.gz LWFMWNVEXIQADF-UHFFFAOYSA-N 1 0 330.501 3.230 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccccc1O ZINC000293703014 455794807 /nfs/dbraw/zinc/79/48/07/455794807.db2.gz MFBRAVZUJBNSFW-LJQANCHMSA-N 1 0 326.440 3.470 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c(O)c1 ZINC000293787615 455796957 /nfs/dbraw/zinc/79/69/57/455796957.db2.gz QLBBSERQZHGUPB-GDBMZVCRSA-N 1 0 333.403 3.239 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000285305948 455821841 /nfs/dbraw/zinc/82/18/41/455821841.db2.gz WDWBSIJVWCTYPP-DZGCQCFKSA-N 1 0 326.234 3.298 20 10 EGCDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294696088 455823904 /nfs/dbraw/zinc/82/39/04/455823904.db2.gz AASGTUUTBLUIKO-UHFFFAOYSA-N 1 0 345.512 3.246 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1OC ZINC000294929311 455832291 /nfs/dbraw/zinc/83/22/91/455832291.db2.gz BKUYCUDFRODRDB-UHFFFAOYSA-N 1 0 342.317 3.113 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C[C@@H](C)O)cc2)CC1 ZINC000294946712 455833581 /nfs/dbraw/zinc/83/35/81/455833581.db2.gz LRYJVKIILOJJMK-VQIMIIECSA-N 1 0 332.488 3.037 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)c(O)c1 ZINC000294957904 455833741 /nfs/dbraw/zinc/83/37/41/455833741.db2.gz YWKNCGAANQLLQJ-MRXNPFEDSA-N 1 0 326.440 3.019 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCCO1 ZINC000278548545 455840552 /nfs/dbraw/zinc/84/05/52/455840552.db2.gz BFMWBZVRBPXJMV-QUCCMNQESA-N 1 0 327.424 3.343 20 10 EGCDRO CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000186861982 455844110 /nfs/dbraw/zinc/84/41/10/455844110.db2.gz SXEOBVQRZJJKRU-KRWDZBQOSA-N 1 0 326.506 3.008 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2F)C[C@H](C)O1 ZINC000278844618 455850545 /nfs/dbraw/zinc/85/05/45/455850545.db2.gz KHRSSBVQQYAGQI-HLLBOEOZSA-N 1 0 334.435 3.222 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(c3ccnn3CC)CC2)c1O ZINC000279518869 455867108 /nfs/dbraw/zinc/86/71/08/455867108.db2.gz YFRGWJJLMFDTNM-UHFFFAOYSA-N 1 0 329.444 3.387 20 10 EGCDRO O=C1CCCN1Cc1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296080933 455868802 /nfs/dbraw/zinc/86/88/02/455868802.db2.gz SNWXZBVTFOVURU-SFHVURJKSA-N 1 0 336.435 3.292 20 10 EGCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(-c3ccccc3)ccc1O)CCO2 ZINC000279704477 455871222 /nfs/dbraw/zinc/87/12/22/455871222.db2.gz RPZNCTYCFWLTQS-KKSFZXQISA-N 1 0 339.435 3.439 20 10 EGCDRO CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cc(F)ccc2O)n1 ZINC000272253002 455892872 /nfs/dbraw/zinc/89/28/72/455892872.db2.gz CIURNRUEJMRZQF-LBPRGKRZSA-N 1 0 337.395 3.280 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000296561808 455974856 /nfs/dbraw/zinc/97/48/56/455974856.db2.gz VFQOWOCRSATVFS-SFHVURJKSA-N 1 0 343.496 3.143 20 10 EGCDRO Cc1cccc(C[NH2+]CCCOCCOCc2ccccc2)c1O ZINC000272585843 456003940 /nfs/dbraw/zinc/00/39/40/456003940.db2.gz ZCMOFBQIPMVNPV-UHFFFAOYSA-N 1 0 329.440 3.414 20 10 EGCDRO Cn1c2cccc(F)c2nc1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296746388 456028441 /nfs/dbraw/zinc/02/84/41/456028441.db2.gz JOEYYCPYOOGXDI-CQSZACIVSA-N 1 0 325.387 3.238 20 10 EGCDRO CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000287174956 456062662 /nfs/dbraw/zinc/06/26/62/456062662.db2.gz UTZSDHJRTRZQNN-MRXNPFEDSA-N 1 0 339.911 3.112 20 10 EGCDRO CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1[O-] ZINC000287603345 456073811 /nfs/dbraw/zinc/07/38/11/456073811.db2.gz ISWKZGAGQPDCAG-YOEHRIQHSA-N 1 0 340.895 3.323 20 10 EGCDRO COC(=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000188669782 456109608 /nfs/dbraw/zinc/10/96/08/456109608.db2.gz LWSKXXSYWZIKRK-UHFFFAOYSA-N 1 0 341.407 3.014 20 10 EGCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000289353967 456122135 /nfs/dbraw/zinc/12/21/35/456122135.db2.gz XWLMZGWKGMSDPZ-UHFFFAOYSA-N 1 0 343.446 3.088 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCOC1 ZINC000281096628 456132252 /nfs/dbraw/zinc/13/22/52/456132252.db2.gz ADGRZWRAVNDILI-CRAIPNDOSA-N 1 0 327.424 3.486 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000297161622 456136274 /nfs/dbraw/zinc/13/62/74/456136274.db2.gz JTZCPGLLRBIHJU-UHFFFAOYSA-N 1 0 325.456 3.213 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c(C)n1-c1cccc(Cl)c1 ZINC000273005631 456142077 /nfs/dbraw/zinc/14/20/77/456142077.db2.gz IEGXRGNKKFRTJE-CQSZACIVSA-N 1 0 331.847 3.087 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cc(F)ccc1O ZINC000273363308 456225567 /nfs/dbraw/zinc/22/55/67/456225567.db2.gz AVJLNUCOIDPZGY-CYBMUJFWSA-N 1 0 346.402 3.335 20 10 EGCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273405990 456229129 /nfs/dbraw/zinc/22/91/29/456229129.db2.gz OMZAKWPZULYBFJ-RDTXWAMCSA-N 1 0 345.439 3.410 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c(O)c1C ZINC000273447854 456231885 /nfs/dbraw/zinc/23/18/85/456231885.db2.gz FNQMBDMBJPZNPJ-IEZWGBDMSA-N 1 0 329.440 3.144 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1cc(F)ccc1O ZINC000273465995 456232759 /nfs/dbraw/zinc/23/27/59/456232759.db2.gz DRHRHGPUKRSPTC-ZDUSSCGKSA-N 1 0 348.393 3.358 20 10 EGCDRO COCC1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000297495124 456236751 /nfs/dbraw/zinc/23/67/51/456236751.db2.gz MTZCDVGYQMCBBO-UHFFFAOYSA-N 1 0 332.488 3.160 20 10 EGCDRO CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273594161 456240466 /nfs/dbraw/zinc/24/04/66/456240466.db2.gz QBIPYVDTYPDZGS-CQSZACIVSA-N 1 0 334.460 3.094 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC3(CCOCC3)C2)c1O ZINC000273689787 456243334 /nfs/dbraw/zinc/24/33/34/456243334.db2.gz BCUKKCLHLODSFO-UHFFFAOYSA-N 1 0 325.836 3.447 20 10 EGCDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000237251425 456255269 /nfs/dbraw/zinc/25/52/69/456255269.db2.gz VRLLPWOHAQASIH-SFHVURJKSA-N 1 0 339.483 3.474 20 10 EGCDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000290271235 456278074 /nfs/dbraw/zinc/27/80/74/456278074.db2.gz WEKMSKHSAUPIFJ-VQTJNVASSA-N 1 0 343.515 3.269 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000276186850 456408385 /nfs/dbraw/zinc/40/83/85/456408385.db2.gz LCTVIYBFCWLFAB-GOSISDBHSA-N 1 0 346.471 3.204 20 10 EGCDRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000298399530 456445350 /nfs/dbraw/zinc/44/53/50/456445350.db2.gz LSQYXLYCOZESRM-KRWDZBQOSA-N 1 0 339.483 3.268 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000282394134 456499532 /nfs/dbraw/zinc/49/95/32/456499532.db2.gz DXBRIDVNSAZJJE-KRWDZBQOSA-N 1 0 347.503 3.436 20 10 EGCDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000276786760 456579328 /nfs/dbraw/zinc/57/93/28/456579328.db2.gz KKUPMAPFPHHYPB-IBGZPJMESA-N 1 0 336.435 3.256 20 10 EGCDRO Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000291353094 456615701 /nfs/dbraw/zinc/61/57/01/456615701.db2.gz XMPMZBZBIMXTRU-OAQYLSRUSA-N 1 0 338.451 3.396 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000283057820 456701237 /nfs/dbraw/zinc/70/12/37/456701237.db2.gz SVNJJOGSKDWBCN-QGZVFWFLSA-N 1 0 325.412 3.097 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)cc1F ZINC000366084062 457791536 /nfs/dbraw/zinc/79/15/36/457791536.db2.gz DYMFDHHKAQSLIJ-CVEARBPZSA-N 1 0 330.451 3.441 20 10 EGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)CF)C1 ZINC000444372967 457893275 /nfs/dbraw/zinc/89/32/75/457893275.db2.gz SBXCGPVZZAUWSS-UHFFFAOYSA-N 1 0 345.462 3.272 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000368564786 458045547 /nfs/dbraw/zinc/04/55/47/458045547.db2.gz VSMYVYCEAAXKMB-OALUTQOASA-N 1 0 342.487 3.060 20 10 EGCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1O ZINC000362388943 458146737 /nfs/dbraw/zinc/14/67/37/458146737.db2.gz JMBKYZBMDYTTJI-MJGOQNOKSA-N 1 0 327.424 3.489 20 10 EGCDRO COc1cccc(CN2CCCC[C@H]2c2noc(C3CC3)n2)c1O ZINC000372433498 458302522 /nfs/dbraw/zinc/30/25/22/458302522.db2.gz JNQSMNYCJAMTJK-AWEZNQCLSA-N 1 0 329.400 3.388 20 10 EGCDRO C[C@@H]1CCCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc21 ZINC000592563243 459631043 /nfs/dbraw/zinc/63/10/43/459631043.db2.gz YKFVXQYHNLOEQE-HUUCEWRRSA-N 1 0 338.455 3.263 20 10 EGCDRO CC[N@H+](CCNC(=O)c1sccc1-n1c(C)ccc1C)C1CC1 ZINC000726196633 574545088 /nfs/dbraw/zinc/54/50/88/574545088.db2.gz UXSMBYIJRIUDTO-UHFFFAOYSA-N 1 0 331.485 3.370 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000729043287 574808206 /nfs/dbraw/zinc/80/82/06/574808206.db2.gz CLLWNVSSVRCIEA-AWEZNQCLSA-N 1 0 349.475 3.026 20 10 EGCDRO CCOCc1cc(C[NH2+]C2CCC(C(=O)OC)CC2)ccc1OC ZINC000730107408 574920302 /nfs/dbraw/zinc/92/03/02/574920302.db2.gz IOJHMTXJONTIST-UHFFFAOYSA-N 1 0 335.444 3.053 20 10 EGCDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732283712 575254690 /nfs/dbraw/zinc/25/46/90/575254690.db2.gz BXZFOWISCBAJDU-UHFFFAOYSA-N 1 0 344.480 3.438 20 10 EGCDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740898244 576635015 /nfs/dbraw/zinc/63/50/15/576635015.db2.gz JEXZGCZQDLDBEZ-HUUCEWRRSA-N 1 0 335.448 3.082 20 10 EGCDRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000742218778 576759216 /nfs/dbraw/zinc/75/92/16/576759216.db2.gz IDDOYPQJOMPGIQ-MSOLQXFVSA-N 1 0 332.488 3.376 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000744800373 576834666 /nfs/dbraw/zinc/83/46/66/576834666.db2.gz VTLFYAGTGLIMIK-CYBMUJFWSA-N 1 0 331.485 3.227 20 10 EGCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccccc1O ZINC000825322446 608657888 /nfs/dbraw/zinc/65/78/88/608657888.db2.gz DSZNOSCHALHNMN-UHFFFAOYSA-N 1 0 329.429 3.046 20 10 EGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)cc1O ZINC000691681878 1298135671 /nfs/dbraw/zinc/13/56/71/1298135671.db2.gz ZEABLWBYLOLMGP-CABCVRRESA-N 1 0 339.277 3.213 20 10 EGCDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000877572953 1299407911 /nfs/dbraw/zinc/40/79/11/1299407911.db2.gz UWYNAPHDYNJUNU-WOJBJXKFSA-N 1 0 344.499 3.037 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)ccc1OC ZINC000751154581 1299517410 /nfs/dbraw/zinc/51/74/10/1299517410.db2.gz YFWIACQTZPWIPU-XMMPIXPASA-N 1 0 347.480 3.259 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(C)cc1O ZINC000794805312 1309598911 /nfs/dbraw/zinc/59/89/11/1309598911.db2.gz WWNICRSGMBCEPO-MAUKXSAKSA-N 1 0 333.403 3.320 20 10 EGCDRO CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(Cl)ccc1O ZINC000840889029 1321170819 /nfs/dbraw/zinc/17/08/19/1321170819.db2.gz DWIUXGJOJIMWEF-AWEZNQCLSA-N 1 0 345.892 3.301 20 10 EGCDRO C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046368289 1291535656 /nfs/dbraw/zinc/53/56/56/1291535656.db2.gz AHSKVTVBVVSKGO-SJORKVTESA-N 1 0 346.519 3.014 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1O ZINC000827734493 1292363088 /nfs/dbraw/zinc/36/30/88/1292363088.db2.gz YOXVXCWJJMFGGE-WBMJQRKESA-N 1 0 335.831 3.308 20 10 EGCDRO Cc1cc(C[N@H+](C)CCN2CCCC2=O)ccc1N1CCCCC1 ZINC000827813209 1292380834 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CDOYUKNOJDVMND-IINYFYTJSA-N 1 0 328.250 3.275 20 10 EGCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834903305 1293171347 /nfs/dbraw/zinc/17/13/47/1293171347.db2.gz HIBVSUYSRCKDPL-POZUXBRTSA-N 1 0 336.451 3.271 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c(O)c1 ZINC000834914035 1293175071 /nfs/dbraw/zinc/17/50/71/1293175071.db2.gz SHIPAWMHJNVYQJ-YQQAZPJKSA-N 1 0 329.444 3.313 20 10 EGCDRO CC[NH+](CC)C1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000115855076 1293195433 /nfs/dbraw/zinc/19/54/33/1293195433.db2.gz HNTXPDINYZCFFE-UHFFFAOYSA-N 1 0 346.519 3.077 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1 ZINC000835071685 1293199656 /nfs/dbraw/zinc/19/96/56/1293199656.db2.gz SIOOGNVCNYGWLN-INIZCTEOSA-N 1 0 340.471 3.353 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccccc1O ZINC000121082442 1293354210 /nfs/dbraw/zinc/35/42/10/1293354210.db2.gz VDCSZVCQTNVEDM-SJLPKXTDSA-N 1 0 331.412 3.184 20 10 EGCDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000123864597 1293458569 /nfs/dbraw/zinc/45/85/69/1293458569.db2.gz CBWLYMBFPYRHAA-CYBMUJFWSA-N 1 0 338.879 3.420 20 10 EGCDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)c1 ZINC000124251656 1293471554 /nfs/dbraw/zinc/47/15/54/1293471554.db2.gz UGZCUQNCNGZZBF-MRXNPFEDSA-N 1 0 327.380 3.467 20 10 EGCDRO COc1cccc(CN2CCC[C@@H]2C(=O)OCc2ccccc2)c1O ZINC000126414238 1293533703 /nfs/dbraw/zinc/53/37/03/1293533703.db2.gz LJFVBCOQOQIMEL-QGZVFWFLSA-N 1 0 341.407 3.109 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000131072961 1293678413 /nfs/dbraw/zinc/67/84/13/1293678413.db2.gz KJAOYSNDUKCBRU-HOCLYGCPSA-N 1 0 337.485 3.102 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc1F ZINC000136043519 1293807333 /nfs/dbraw/zinc/80/73/33/1293807333.db2.gz OVPIVCAJSILBSE-UHFFFAOYSA-N 1 0 335.467 3.066 20 10 EGCDRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151126931 1293908911 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CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000159405916 1294234899 /nfs/dbraw/zinc/23/48/99/1294234899.db2.gz KXEQRWPAQGIPBX-UHFFFAOYSA-N 1 0 342.439 3.121 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000159781611 1294246540 /nfs/dbraw/zinc/24/65/40/1294246540.db2.gz SANPBJQTHPZTIY-UHFFFAOYSA-N 1 0 343.423 3.366 20 10 EGCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160044214 1294255818 /nfs/dbraw/zinc/25/58/18/1294255818.db2.gz ZDOBRRUTGOBATQ-KRWDZBQOSA-N 1 0 330.472 3.009 20 10 EGCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160473591 1294268851 /nfs/dbraw/zinc/26/88/51/1294268851.db2.gz YIHHHQSGZGPJQW-OAHLLOKOSA-N 1 0 335.444 3.265 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3cccc(OC)c3)CC2)c1 ZINC000160693683 1294275230 /nfs/dbraw/zinc/27/52/30/1294275230.db2.gz RWXWXRCYWSPLCB-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000163577053 1294335345 /nfs/dbraw/zinc/33/53/45/1294335345.db2.gz WJLQFGLAEULZMK-OAHLLOKOSA-N 1 0 330.501 3.307 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000164193369 1294345872 /nfs/dbraw/zinc/34/58/72/1294345872.db2.gz ZHYUOJPIGMWDIZ-UHFFFAOYSA-N 1 0 344.480 3.419 20 10 EGCDRO CC(C)[NH+]1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000174620069 1294511188 /nfs/dbraw/zinc/51/11/88/1294511188.db2.gz CUNOYWUKFLLXGN-UHFFFAOYSA-N 1 0 329.488 3.023 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000178712133 1294751310 /nfs/dbraw/zinc/75/13/10/1294751310.db2.gz LTWJLOKFRMXRTK-SJLPKXTDSA-N 1 0 331.504 3.175 20 10 EGCDRO COCc1cccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000179230445 1294780721 /nfs/dbraw/zinc/78/07/21/1294780721.db2.gz CLPXRAGGQAUJNO-UHFFFAOYSA-N 1 0 344.430 3.303 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)ccc1OC ZINC000179347028 1294787905 /nfs/dbraw/zinc/78/79/05/1294787905.db2.gz ZTZZXVZPIKZPDH-RHSMWYFYSA-N 1 0 333.428 3.427 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)CCCOc2ccc(F)cc2)cc1OC 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EGCDRO Cc1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000246455419 1296353209 /nfs/dbraw/zinc/35/32/09/1296353209.db2.gz YJJGPEJVYPVHSA-QZTJIDSGSA-N 1 0 333.472 3.378 20 10 EGCDRO C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000249514207 1296445761 /nfs/dbraw/zinc/44/57/61/1296445761.db2.gz AHSKVTVBVVSKGO-DLBZAZTESA-N 1 0 346.519 3.014 20 10 EGCDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(Cl)nc2)C1 ZINC000255884052 1296575443 /nfs/dbraw/zinc/57/54/43/1296575443.db2.gz BJISIHASYODDMO-YHWKNFMLSA-N 1 0 341.842 3.268 20 10 EGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268939432 1296703344 /nfs/dbraw/zinc/70/33/44/1296703344.db2.gz ZQXAJOOEZSSHOJ-POZUXBRTSA-N 1 0 336.451 3.271 20 10 EGCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000301814120 1296794503 /nfs/dbraw/zinc/79/45/03/1296794503.db2.gz HEPWVADEKFZELA-JKSUJKDBSA-N 1 0 332.444 3.157 20 10 EGCDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 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Cc1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c(O)c1 ZINC000876990559 1299103473 /nfs/dbraw/zinc/10/34/73/1299103473.db2.gz HRCAHFOSQQYBEP-IBGZPJMESA-N 1 0 344.430 3.003 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000876992073 1299104096 /nfs/dbraw/zinc/10/40/96/1299104096.db2.gz YUTSJKJQSWZRRG-MRXNPFEDSA-N 1 0 341.329 3.422 20 10 EGCDRO COc1ccc(CC[NH2+]Cc2ccc(C)cc2O)c(OC)c1OC ZINC000877004656 1299110086 /nfs/dbraw/zinc/11/00/86/1299110086.db2.gz LQZBAAWVWCZUQI-UHFFFAOYSA-N 1 0 331.412 3.059 20 10 EGCDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877082591 1299150339 /nfs/dbraw/zinc/15/03/39/1299150339.db2.gz YTBJAEASQAPFES-UHFFFAOYSA-N 1 0 348.830 3.481 20 10 EGCDRO Cc1cnc([C@@H](C)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000877340015 1299252559 /nfs/dbraw/zinc/25/25/59/1299252559.db2.gz FFHLUWFLLUQFCD-AWEZNQCLSA-N 1 0 345.512 3.306 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c(O)c1 ZINC000877403507 1299281292 /nfs/dbraw/zinc/28/12/92/1299281292.db2.gz RDDQWLZUOINIAC-UHFFFAOYSA-N 1 0 329.415 3.409 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c(O)c1 ZINC000877503481 1299352390 /nfs/dbraw/zinc/35/23/90/1299352390.db2.gz NLJUBRMTPBKLAA-LJQANCHMSA-N 1 0 338.451 3.024 20 10 EGCDRO COCC(C)(C)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877534053 1299376588 /nfs/dbraw/zinc/37/65/88/1299376588.db2.gz WEOVLRWRVQGVIW-UHFFFAOYSA-N 1 0 334.504 3.190 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000877592480 1299419940 /nfs/dbraw/zinc/41/99/40/1299419940.db2.gz PRJLJNIWHNAMMJ-XYJFISCASA-N 1 0 331.504 3.029 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c(O)c1 ZINC000877605535 1299427219 /nfs/dbraw/zinc/42/72/19/1299427219.db2.gz UBAMEUANFIOKSX-AWEZNQCLSA-N 1 0 325.412 3.081 20 10 EGCDRO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(C)cc3O)CC2)s1 ZINC000877652098 1299456389 /nfs/dbraw/zinc/45/63/89/1299456389.db2.gz ATMSMFYGYDFONQ-UHFFFAOYSA-N 1 0 346.452 3.323 20 10 EGCDRO CCOC(=O)N[C@@H](C[NH2+]Cc1c(O)cccc1Cl)CC(C)C ZINC000751503330 1299558838 /nfs/dbraw/zinc/55/88/38/1299558838.db2.gz PCIXMEWFQSFUOJ-GFCCVEGCSA-N 1 0 328.840 3.296 20 10 EGCDRO C[C@@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000878455180 1300012759 /nfs/dbraw/zinc/01/27/59/1300012759.db2.gz RGNOIBMBELMKID-CQSZACIVSA-N 1 0 326.506 3.007 20 10 EGCDRO C[C@H]1C[C@H](CCNC(=O)C2=CC(=O)CS2)C[N@@H+]1Cc1ccccc1 ZINC000753831634 1300027648 /nfs/dbraw/zinc/02/76/48/1300027648.db2.gz VWYFKCSTXZKROY-HOCLYGCPSA-N 1 0 344.480 3.484 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)c2c1c(F)ccc2O ZINC000756393729 1300483256 /nfs/dbraw/zinc/48/32/56/1300483256.db2.gz UGRRJOVDSTYEOC-YGRLFVJLSA-N 1 0 329.375 3.360 20 10 EGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)NCc1ccccc1 ZINC000756482355 1300503842 /nfs/dbraw/zinc/50/38/42/1300503842.db2.gz JKRXOGRTXXJWKV-WWGRRREGSA-N 1 0 342.414 3.374 20 10 EGCDRO COCCCN1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756527975 1300515004 /nfs/dbraw/zinc/51/50/04/1300515004.db2.gz 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C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)c1ccccc1O ZINC000879648748 1300650017 /nfs/dbraw/zinc/65/00/17/1300650017.db2.gz CDHUZTYJTCEWIO-OAGGEKHMSA-N 1 0 326.440 3.351 20 10 EGCDRO Cc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1C ZINC000758382633 1300868252 /nfs/dbraw/zinc/86/82/52/1300868252.db2.gz XYRJOJYURQPZPH-UHFFFAOYSA-N 1 0 340.423 3.060 20 10 EGCDRO Cc1cc(Cl)ncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000758466224 1300892669 /nfs/dbraw/zinc/89/26/69/1300892669.db2.gz HLFDHYLDVJESPP-UHFFFAOYSA-N 1 0 330.863 3.407 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000758521322 1300902001 /nfs/dbraw/zinc/90/20/01/1300902001.db2.gz CMVQNKMKUYFCOQ-QUCCMNQESA-N 1 0 345.414 3.186 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1O ZINC000760031359 1301211358 /nfs/dbraw/zinc/21/13/58/1301211358.db2.gz UYSMJAORUGGKQY-NSHDSACASA-N 1 0 339.844 3.300 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)[C@]12CCCO2 ZINC000760881574 1301357546 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CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)cc1 ZINC000764742948 1302126219 /nfs/dbraw/zinc/12/62/19/1302126219.db2.gz LJPIRTOOGBIWIC-FXAWDEMLSA-N 1 0 333.520 3.150 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000764741429 1302126479 /nfs/dbraw/zinc/12/64/79/1302126479.db2.gz DDQFZABBELQSID-WOJBJXKFSA-N 1 0 333.520 3.150 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000764809482 1302140919 /nfs/dbraw/zinc/14/09/19/1302140919.db2.gz KBUGZEHVMBSALB-APWZRJJASA-N 1 0 328.456 3.233 20 10 EGCDRO Cc1ncc(CC[NH2+]Cc2cc(Br)cc(F)c2[O-])s1 ZINC000883070739 1302230949 /nfs/dbraw/zinc/23/09/49/1302230949.db2.gz BMORAPZCSOVINP-UHFFFAOYSA-N 1 0 345.237 3.391 20 10 EGCDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765286424 1302237946 /nfs/dbraw/zinc/23/79/46/1302237946.db2.gz LEWQKNQVBAAHRK-IBGZPJMESA-N 1 0 334.504 3.046 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1F ZINC000765475215 1302269973 /nfs/dbraw/zinc/26/99/73/1302269973.db2.gz KCQOMIPYAVZMIE-UHFFFAOYSA-N 1 0 334.357 3.217 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c(O)c1 ZINC000765639729 1302293652 /nfs/dbraw/zinc/29/36/52/1302293652.db2.gz VKAHPGDXNFOXDK-HXOBKFHXSA-N 1 0 333.453 3.000 20 10 EGCDRO C[C@H]([NH2+]CCCC1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000765927757 1302351856 /nfs/dbraw/zinc/35/18/56/1302351856.db2.gz GLGFWKAGYNUVPC-KRWDZBQOSA-N 1 0 332.488 3.381 20 10 EGCDRO Cc1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000766352707 1302435675 /nfs/dbraw/zinc/43/56/75/1302435675.db2.gz KJKYGBJBIFVEDZ-AWEZNQCLSA-N 1 0 331.485 3.447 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(N2CCOCC2)cc1Cl ZINC000766603054 1302485612 /nfs/dbraw/zinc/48/56/12/1302485612.db2.gz LWNQKKQXWLKMBW-OAHLLOKOSA-N 1 0 345.874 3.465 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000766605409 1302485820 /nfs/dbraw/zinc/48/58/20/1302485820.db2.gz LZWZUTDEHOLZNU-ACRUOGEOSA-N 1 0 345.531 3.437 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H]2CCOc3ccc(OC)cc32)c1O ZINC000767189565 1302601257 /nfs/dbraw/zinc/60/12/57/1302601257.db2.gz QBEOMNYELUHKFB-INIZCTEOSA-N 1 0 329.396 3.413 20 10 EGCDRO COc1cc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)cc1C ZINC000767505111 1302695721 /nfs/dbraw/zinc/69/57/21/1302695721.db2.gz LUVJLDZUOBIAJA-INIZCTEOSA-N 1 0 347.377 3.235 20 10 EGCDRO CC[N@@H+](Cc1c(O)cccc1OC)C[C@@H]1COc2ccccc2O1 ZINC000768180751 1302847767 /nfs/dbraw/zinc/84/77/67/1302847767.db2.gz OVIDQVUOJZALRO-CQSZACIVSA-N 1 0 329.396 3.063 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1 ZINC000768208542 1302855641 /nfs/dbraw/zinc/85/56/41/1302855641.db2.gz SSMAUCNNKLQSNZ-UHFFFAOYSA-N 1 0 342.487 3.195 20 10 EGCDRO CCN1C[C@H](C[N@H+](C)Cc2c(O)cccc2OC)Oc2ccccc21 ZINC000768214092 1302856430 /nfs/dbraw/zinc/85/64/30/1302856430.db2.gz ZOPVDCMWSPRBBK-HNNXBMFYSA-N 1 0 342.439 3.120 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](CCc1ccccc1)C1CC1)[C@H](O)CO2 ZINC000768438947 1302900580 /nfs/dbraw/zinc/90/05/80/1302900580.db2.gz BXDWSZYNTAXURX-LJQANCHMSA-N 1 0 325.408 3.025 20 10 EGCDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768447713 1302907485 /nfs/dbraw/zinc/90/74/85/1302907485.db2.gz PBNUZENHWHSNRI-KRWDZBQOSA-N 1 0 333.815 3.146 20 10 EGCDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768467073 1302913385 /nfs/dbraw/zinc/91/33/85/1302913385.db2.gz XADVVQZTTBZAMB-KKVAFCGZSA-N 1 0 339.435 3.271 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)cc1 ZINC000768532709 1302927878 /nfs/dbraw/zinc/92/78/78/1302927878.db2.gz OPMIWRRJHPIVCR-INIZCTEOSA-N 1 0 330.394 3.278 20 10 EGCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000768577623 1302937883 /nfs/dbraw/zinc/93/78/83/1302937883.db2.gz HBEIETPDPOFASB-UHFFFAOYSA-N 1 0 336.451 3.053 20 10 EGCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769008418 1303030659 /nfs/dbraw/zinc/03/06/59/1303030659.db2.gz XTLUQKXZVKYLHZ-RDJZCZTQSA-N 1 0 349.494 3.409 20 10 EGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769402160 1303106988 /nfs/dbraw/zinc/10/69/88/1303106988.db2.gz WBFQYNGRKNVMCF-ZDUSSCGKSA-N 1 0 339.455 3.237 20 10 EGCDRO C[C@H]1COCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769455482 1303117225 /nfs/dbraw/zinc/11/72/25/1303117225.db2.gz DDLMGUSUCZRDPI-HNNXBMFYSA-N 1 0 333.432 3.196 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000769499247 1303127648 /nfs/dbraw/zinc/12/76/48/1303127648.db2.gz PNIFFKFFNNBVCZ-LJQANCHMSA-N 1 0 340.467 3.497 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000769507971 1303130879 /nfs/dbraw/zinc/13/08/79/1303130879.db2.gz BAHYDIFVJDRCNO-UHFFFAOYSA-N 1 0 325.408 3.422 20 10 EGCDRO CCOc1cccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000769934912 1303195969 /nfs/dbraw/zinc/19/59/69/1303195969.db2.gz ZKOUKQHFAHFUMI-UHFFFAOYSA-N 1 0 327.380 3.299 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000770387420 1303259928 /nfs/dbraw/zinc/25/99/28/1303259928.db2.gz POEYSZXDOJPFQI-LSDHHAIUSA-N 1 0 334.460 3.436 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)cn3)cc2F)CC1 ZINC000885940937 1303288647 /nfs/dbraw/zinc/28/86/47/1303288647.db2.gz VWPTYHLKNIWPOM-UHFFFAOYSA-N 1 0 349.837 3.125 20 10 EGCDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000770749639 1303312780 /nfs/dbraw/zinc/31/27/80/1303312780.db2.gz WUDPJETVOMMFLN-RDJZCZTQSA-N 1 0 347.459 3.490 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c1O ZINC000770745937 1303313391 /nfs/dbraw/zinc/31/33/91/1303313391.db2.gz JYJVJDSRNBJNKS-MNOVXSKESA-N 1 0 344.249 3.068 20 10 EGCDRO C/C(=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000771062572 1303354257 /nfs/dbraw/zinc/35/42/57/1303354257.db2.gz BIAGNSZLBJKVOD-JZUUQJBKSA-N 1 0 348.874 3.483 20 10 EGCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000771938526 1303464717 /nfs/dbraw/zinc/46/47/17/1303464717.db2.gz NSEYSZFYVDGCSP-KRWDZBQOSA-N 1 0 338.451 3.407 20 10 EGCDRO CC[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000886669928 1303549242 /nfs/dbraw/zinc/54/92/42/1303549242.db2.gz GVQHDACGQAMTBG-YDHLFZDLSA-N 1 0 347.377 3.382 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000886669926 1303549428 /nfs/dbraw/zinc/54/94/28/1303549428.db2.gz GVQHDACGQAMTBG-IPYPFGDCSA-N 1 0 347.377 3.382 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H](C)C1 ZINC000886749444 1303582921 /nfs/dbraw/zinc/58/29/21/1303582921.db2.gz SOOSJNSGJNEKHM-QINHECLXSA-N 1 0 343.515 3.303 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)CC1 ZINC000886751042 1303583010 /nfs/dbraw/zinc/58/30/10/1303583010.db2.gz GAGHXRDERPTZKM-FQEVSTJZSA-N 1 0 341.499 3.057 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CC1(C)C ZINC000886751359 1303585456 /nfs/dbraw/zinc/58/54/56/1303585456.db2.gz ONFKQPHIMVNELD-MOPGFXCFSA-N 1 0 343.515 3.303 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000773082857 1303621556 /nfs/dbraw/zinc/62/15/56/1303621556.db2.gz XDRDFBVMSDEJQQ-QGZVFWFLSA-N 1 0 330.472 3.355 20 10 EGCDRO C[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773370314 1303669397 /nfs/dbraw/zinc/66/93/97/1303669397.db2.gz LZTRAZRYQQXUKT-CABCVRRESA-N 1 0 334.508 3.089 20 10 EGCDRO CC(C)[NH+](CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000773617748 1303714897 /nfs/dbraw/zinc/71/48/97/1303714897.db2.gz FJJHHCZPEHWEOR-INIZCTEOSA-N 1 0 334.508 3.232 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774871158 1303869597 /nfs/dbraw/zinc/86/95/97/1303869597.db2.gz VYWWSDWAWJEWIJ-UHFFFAOYSA-N 1 0 346.383 3.427 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775365837 1303947617 /nfs/dbraw/zinc/94/76/17/1303947617.db2.gz XYHQOFXBGIPHHG-AWEZNQCLSA-N 1 0 339.418 3.323 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCn2c(=O)[nH]c3ccccc32)c1 ZINC000775373076 1303948813 /nfs/dbraw/zinc/94/88/13/1303948813.db2.gz LYLCOCAUTCOJIU-CYBMUJFWSA-N 1 0 341.411 3.197 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)c1ccccc1O ZINC000775414263 1303960539 /nfs/dbraw/zinc/96/05/39/1303960539.db2.gz GYNZDQXGEIROQL-AEFFLSMTSA-N 1 0 329.440 3.490 20 10 EGCDRO CC[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cc(Cl)ccc1O ZINC000775517874 1303977307 /nfs/dbraw/zinc/97/73/07/1303977307.db2.gz AEXZJWSFNVIZLM-INIZCTEOSA-N 1 0 332.831 3.428 20 10 EGCDRO CC[C@H]([NH2+]Cc1cc(C)ncn1)c1cc(Br)ccc1O ZINC000775524609 1303978818 /nfs/dbraw/zinc/97/88/18/1303978818.db2.gz TUBUQMRMVUMVGQ-AWEZNQCLSA-N 1 0 336.233 3.494 20 10 EGCDRO COCC[N@H+](CCCc1ccccc1)Cc1cc(OC)ccc1O ZINC000775664313 1304009659 /nfs/dbraw/zinc/00/96/59/1304009659.db2.gz KLDANUSVFQCDFQ-UHFFFAOYSA-N 1 0 329.440 3.482 20 10 EGCDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C)c1O ZINC000775831905 1304045397 /nfs/dbraw/zinc/04/53/97/1304045397.db2.gz SOPSQHLFKCRYQB-LJQANCHMSA-N 1 0 340.467 3.270 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775831121 1304045603 /nfs/dbraw/zinc/04/56/03/1304045603.db2.gz PVQARQNKRXKPMC-CVEARBPZSA-N 1 0 331.504 3.488 20 10 EGCDRO CCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775834941 1304046390 /nfs/dbraw/zinc/04/63/90/1304046390.db2.gz WKYZWQAYXGHBIL-CQSZACIVSA-N 1 0 345.512 3.344 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000779023285 1304519723 /nfs/dbraw/zinc/51/97/23/1304519723.db2.gz BNVQPIMHIMXZAA-MEBBXXQBSA-N 1 0 328.250 3.275 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C1(C(=O)OC)CCC1 ZINC000779345301 1304559475 /nfs/dbraw/zinc/55/94/75/1304559475.db2.gz PIGNKTCDXBQDNU-SFHVURJKSA-N 1 0 330.472 3.281 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1(C(=O)OC)CCC1 ZINC000779386819 1304564339 /nfs/dbraw/zinc/56/43/39/1304564339.db2.gz LAPDUMLWXJJFTR-GOSISDBHSA-N 1 0 330.472 3.498 20 10 EGCDRO COCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000779994480 1304629417 /nfs/dbraw/zinc/62/94/17/1304629417.db2.gz RXQLJMRCQNPCNH-KRWDZBQOSA-N 1 0 348.418 3.123 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1O ZINC000780780497 1304737944 /nfs/dbraw/zinc/73/79/44/1304737944.db2.gz XEVVUTGTEDXXCQ-NWDGAFQWSA-N 1 0 328.250 3.368 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCCCC2)cc1 ZINC000781618177 1304849432 /nfs/dbraw/zinc/84/94/32/1304849432.db2.gz IIPLAQSYGVBKAT-KRWDZBQOSA-N 1 0 331.504 3.366 20 10 EGCDRO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccsc1 ZINC000891254134 1305001514 /nfs/dbraw/zinc/00/15/14/1305001514.db2.gz VWHHXTKZXHTCQF-RDTXWAMCSA-N 1 0 345.512 3.337 20 10 EGCDRO Cn1ncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1C1CC1 ZINC000891468693 1305059270 /nfs/dbraw/zinc/05/92/70/1305059270.db2.gz VUDATBRYRUOZQC-GOSISDBHSA-N 1 0 341.455 3.184 20 10 EGCDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000783493124 1305099007 /nfs/dbraw/zinc/09/90/07/1305099007.db2.gz DPHFTECKOXGUPM-XLIONFOSSA-N 1 0 340.467 3.425 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Br)ccc1O ZINC000783647388 1305122380 /nfs/dbraw/zinc/12/23/80/1305122380.db2.gz KSLZJPWKFTVIRF-SMDDNHRTSA-N 1 0 339.277 3.290 20 10 EGCDRO COc1ccc(C[NH2+]CCCN(C)c2ccccc2)c(O)c1OC ZINC000892438713 1305374538 /nfs/dbraw/zinc/37/45/38/1305374538.db2.gz MKFHHNJDWGYCOG-UHFFFAOYSA-N 1 0 330.428 3.026 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)cc1C ZINC000785548968 1305375724 /nfs/dbraw/zinc/37/57/24/1305375724.db2.gz PZFHRTLJCZJSLT-SFHVURJKSA-N 1 0 330.472 3.422 20 10 EGCDRO O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCCN1C1CCCCC1 ZINC000785546969 1305376825 /nfs/dbraw/zinc/37/68/25/1305376825.db2.gz DOTWGMNBLYSFDL-MRXNPFEDSA-N 1 0 336.863 3.459 20 10 EGCDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C ZINC000785557742 1305378577 /nfs/dbraw/zinc/37/85/77/1305378577.db2.gz BFNWAXMXOMALTB-VLIAUNLRSA-N 1 0 342.439 3.210 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785987225 1305486232 /nfs/dbraw/zinc/48/62/32/1305486232.db2.gz GQBVUPCUTZXUSC-WBIUFABUSA-N 1 0 342.277 3.444 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(O)c1OC ZINC000892622203 1305475915 /nfs/dbraw/zinc/47/59/15/1305475915.db2.gz OHKYHMZYRQERMM-NSHDSACASA-N 1 0 332.356 3.168 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)COCc2ccccc2)c(O)c1OC ZINC000892666574 1305495606 /nfs/dbraw/zinc/49/56/06/1305495606.db2.gz IEJQZZGWNZLADR-OAHLLOKOSA-N 1 0 345.439 3.352 20 10 EGCDRO COc1ccc(C[NH2+]CCc2csc(C(C)C)n2)c(O)c1OC ZINC000892806932 1305560436 /nfs/dbraw/zinc/56/04/36/1305560436.db2.gz OLPNKHASKGGVFF-UHFFFAOYSA-N 1 0 336.457 3.322 20 10 EGCDRO COc1ccc(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c(O)c1OC ZINC000893184913 1305749428 /nfs/dbraw/zinc/74/94/28/1305749428.db2.gz ZWEMFSZUTZGKGR-IBGZPJMESA-N 1 0 343.423 3.013 20 10 EGCDRO COc1ccc(CNc2ccc3c(c2)CCCN3C)c(O)c1OC ZINC000893367451 1305850995 /nfs/dbraw/zinc/85/09/95/1305850995.db2.gz HPHOWVKXQNWMSU-UHFFFAOYSA-N 1 0 328.412 3.404 20 10 EGCDRO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788622476 1305985869 /nfs/dbraw/zinc/98/58/69/1305985869.db2.gz AWIAATAORRVUED-OLZOCXBDSA-N 1 0 348.409 3.418 20 10 EGCDRO COc1c2ccccc2oc1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000789583939 1306188518 /nfs/dbraw/zinc/18/85/18/1306188518.db2.gz LZEGOGRSTZDQEN-UHFFFAOYSA-N 1 0 343.379 3.454 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000894207172 1306276240 /nfs/dbraw/zinc/27/62/40/1306276240.db2.gz RMJYQDSOJCWRMJ-KRWDZBQOSA-N 1 0 342.439 3.018 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1O ZINC000894291313 1306324518 /nfs/dbraw/zinc/32/45/18/1306324518.db2.gz KFBXPFHJVQBJGZ-CQSZACIVSA-N 1 0 339.794 3.325 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)c1O ZINC000894363180 1306361633 /nfs/dbraw/zinc/36/16/33/1306361633.db2.gz ASQYLDVPDRHHJU-KRWDZBQOSA-N 1 0 340.423 3.297 20 10 EGCDRO CC[N@H+](CCC1CCN(C(=O)c2cccc(O)c2O)CC1)CC(C)C ZINC000790918111 1308885231 /nfs/dbraw/zinc/88/52/31/1308885231.db2.gz NRFVAIDKQWQRMA-UHFFFAOYSA-N 1 0 348.487 3.318 20 10 EGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1C ZINC000894502341 1308926057 /nfs/dbraw/zinc/92/60/57/1308926057.db2.gz PXSJQCUIAXXULR-CYBMUJFWSA-N 1 0 329.396 3.347 20 10 EGCDRO COc1ccc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c(O)c1OC ZINC000894837370 1309094851 /nfs/dbraw/zinc/09/48/51/1309094851.db2.gz USUYAFHJUAYYRC-UHFFFAOYSA-N 1 0 349.377 3.362 20 10 EGCDRO COc1ccc(N2CC[NH+](CC3(OC)CCCCC3)CC2)cc1F ZINC000792169609 1309134846 /nfs/dbraw/zinc/13/48/46/1309134846.db2.gz MFDWADHCXMAKSN-UHFFFAOYSA-N 1 0 336.451 3.306 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c(C(F)(F)F)c1 ZINC000793011066 1309280350 /nfs/dbraw/zinc/28/03/50/1309280350.db2.gz UVUGQUAATRIRMH-CYBMUJFWSA-N 1 0 338.377 3.142 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000895349820 1309294183 /nfs/dbraw/zinc/29/41/83/1309294183.db2.gz JDWXSWFGZILGKE-CYBMUJFWSA-N 1 0 338.448 3.054 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC2CCC2)c(C(F)(F)F)c1 ZINC000793321755 1309345955 /nfs/dbraw/zinc/34/59/55/1309345955.db2.gz IYAPSGSCCKQBSO-AWEZNQCLSA-N 1 0 330.394 3.412 20 10 EGCDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000793388624 1309361589 /nfs/dbraw/zinc/36/15/89/1309361589.db2.gz QLHNFMHCRKVCSQ-AWEZNQCLSA-N 1 0 342.439 3.470 20 10 EGCDRO CN(Cc1cnc(C(C)(C)C)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000793586961 1309411996 /nfs/dbraw/zinc/41/19/96/1309411996.db2.gz LNFRGMHOKIHCCK-UHFFFAOYSA-N 1 0 342.487 3.351 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C)cc1O ZINC000794813304 1309600788 /nfs/dbraw/zinc/60/07/88/1309600788.db2.gz CALJPXLNUBHATM-LZWOXQAQSA-N 1 0 325.474 3.097 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000794827583 1309603308 /nfs/dbraw/zinc/60/33/08/1309603308.db2.gz KZSQKJGRYDBPKK-LBPRGKRZSA-N 1 0 339.482 3.407 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1O ZINC000795120774 1309673523 /nfs/dbraw/zinc/67/35/23/1309673523.db2.gz LULBUJYVMWKHRT-CYBMUJFWSA-N 1 0 334.435 3.040 20 10 EGCDRO COCCOCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796282763 1309951740 /nfs/dbraw/zinc/95/17/40/1309951740.db2.gz YXBXZJXPDQIERP-UHFFFAOYSA-N 1 0 340.467 3.002 20 10 EGCDRO OC1CC(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796361736 1309978853 /nfs/dbraw/zinc/97/88/53/1309978853.db2.gz HELAYRNTHAGEDF-UHFFFAOYSA-N 1 0 336.479 3.500 20 10 EGCDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796485366 1310013261 /nfs/dbraw/zinc/01/32/61/1310013261.db2.gz YBRLSLZXTQOSHO-HIFRSBDPSA-N 1 0 335.473 3.426 20 10 EGCDRO Fc1cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)ccc1N1CCOCC1 ZINC000797468057 1310195128 /nfs/dbraw/zinc/19/51/28/1310195128.db2.gz HJRCCVWLZDCSEP-CQSZACIVSA-N 1 0 328.378 3.187 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)CC2CCCC2)c1O ZINC000798960639 1310465010 /nfs/dbraw/zinc/46/50/10/1310465010.db2.gz LVVOWSNBMGVXRR-ZDUSSCGKSA-N 1 0 327.852 3.333 20 10 EGCDRO COc1cc(Br)cc(C[N@H+](C)CCCSC)c1O ZINC000798964655 1310465353 /nfs/dbraw/zinc/46/53/53/1310465353.db2.gz OOWGBYPDUNLWEQ-UHFFFAOYSA-N 1 0 334.279 3.348 20 10 EGCDRO CN(C)c1ccc([C@@H](CNCc2nc(Cl)cs2)[NH+](C)C)cc1 ZINC000898449294 1310740934 /nfs/dbraw/zinc/74/09/34/1310740934.db2.gz AODBDWUOVHXISV-CQSZACIVSA-N 1 0 338.908 3.255 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000898451883 1310741517 /nfs/dbraw/zinc/74/15/17/1310741517.db2.gz QABULBOFAOISHF-LJQANCHMSA-N 1 0 342.443 3.053 20 10 EGCDRO COCc1cccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898450403 1310742232 /nfs/dbraw/zinc/74/22/32/1310742232.db2.gz QYZYKMRKDMNVLY-NRFANRHFSA-N 1 0 341.499 3.292 20 10 EGCDRO C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)[NH+](C)C ZINC000800572180 1310783902 /nfs/dbraw/zinc/78/39/02/1310783902.db2.gz TYVWCAMBFRMMHW-KBPBESRZSA-N 1 0 337.895 3.143 20 10 EGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1 ZINC000801595872 1310971198 /nfs/dbraw/zinc/97/11/98/1310971198.db2.gz UWMAEJCFPIVCAD-GOSISDBHSA-N 1 0 329.440 3.434 20 10 EGCDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824561563 1320266074 /nfs/dbraw/zinc/26/60/74/1320266074.db2.gz ZSBLFJMQGQVAJY-ZDUSSCGKSA-N 1 0 326.824 3.065 20 10 EGCDRO C[C@H](CCCO)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824602923 1320268824 /nfs/dbraw/zinc/26/88/24/1320268824.db2.gz HNEOBBMTPVGFLV-OAHLLOKOSA-N 1 0 335.448 3.083 20 10 EGCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000824815186 1320287306 /nfs/dbraw/zinc/28/73/06/1320287306.db2.gz JJPQIBGJLZCLGP-HNAYVOBHSA-N 1 0 347.459 3.442 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1O ZINC000825062137 1320307522 /nfs/dbraw/zinc/30/75/22/1320307522.db2.gz PYAQMWDUVCZTRE-SMDDNHRTSA-N 1 0 328.250 3.104 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1Cl ZINC000825732817 1320358937 /nfs/dbraw/zinc/35/89/37/1320358937.db2.gz YMYOLRRODAMBNN-OGHNNQOOSA-N 1 0 325.836 3.122 20 10 EGCDRO C[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@H](C2CC2)O1 ZINC000825738426 1320359763 /nfs/dbraw/zinc/35/97/63/1320359763.db2.gz NXAQOSLYYWILAT-MEBBXXQBSA-N 1 0 326.234 3.154 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000826020090 1320379094 /nfs/dbraw/zinc/37/90/94/1320379094.db2.gz PSKMMSPSMGDEOX-FQEVSTJZSA-N 1 0 339.483 3.234 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CCCOCC(F)(F)F ZINC000858096109 1328681283 /nfs/dbraw/zinc/68/12/83/1328681283.db2.gz ZQCBDGZDLYEXTG-UHFFFAOYSA-N 1 0 342.155 3.213 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CCN1Cc2ccccc2C1 ZINC000858113801 1328687048 /nfs/dbraw/zinc/68/70/48/1328687048.db2.gz YHPFGJKXCSTPSO-UHFFFAOYSA-N 1 0 347.256 3.260 20 10 EGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000858135878 1328691664 /nfs/dbraw/zinc/69/16/64/1328691664.db2.gz FQIPKKFQXVVJOX-SNVBAGLBSA-N 1 0 346.381 3.464 20 10 EGCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858139418 1328693699 /nfs/dbraw/zinc/69/36/99/1328693699.db2.gz UHCIRDFHTDQFAS-FZKQIMNGSA-N 1 0 334.410 3.285 20 10 EGCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c(C)o1 ZINC000858144562 1328694989 /nfs/dbraw/zinc/69/49/89/1328694989.db2.gz CZOBLIHUFKICSL-GOSISDBHSA-N 1 0 338.398 3.238 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000858153429 1328697500 /nfs/dbraw/zinc/69/75/00/1328697500.db2.gz LRXLLFMVDBUMDI-QGZVFWFLSA-N 1 0 348.240 3.078 20 10 EGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858176706 1328704482 /nfs/dbraw/zinc/70/44/82/1328704482.db2.gz FPTOZPNLFSDWEL-ZUZCIYMTSA-N 1 0 328.250 3.448 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc4n[nH]cc43)C2)cc1 ZINC000858182632 1328705666 /nfs/dbraw/zinc/70/56/66/1328705666.db2.gz ASQVADRVQHKBRJ-OAHLLOKOSA-N 1 0 336.439 3.188 20 10 EGCDRO C[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC000807139232 1317552017 /nfs/dbraw/zinc/55/20/17/1317552017.db2.gz AFINTKCAECFQFB-QXGIVVGOSA-N 1 0 344.503 3.080 20 10 EGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858194986 1328708037 /nfs/dbraw/zinc/70/80/37/1328708037.db2.gz NYWXKZDKDTZZIA-BFUOFWGJSA-N 1 0 334.410 3.285 20 10 EGCDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)OC)c1 ZINC000858204283 1328710282 /nfs/dbraw/zinc/71/02/82/1328710282.db2.gz KWHXLLFJBRNYAM-LJQANCHMSA-N 1 0 332.419 3.378 20 10 EGCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000903299153 1317684726 /nfs/dbraw/zinc/68/47/26/1317684726.db2.gz GMGIMIYTHZJJJK-LSBZLQRGSA-N 1 0 336.451 3.271 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(C4CC4)CCC3)C2)cc1C ZINC001020440790 1317697586 /nfs/dbraw/zinc/69/75/86/1317697586.db2.gz SLJLPVTWJQZXOQ-IYARVYRRSA-N 1 0 342.483 3.321 20 10 EGCDRO Cc1ncccc1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903414344 1317697777 /nfs/dbraw/zinc/69/77/77/1317697777.db2.gz AYMDWAPSXCUYDE-INIZCTEOSA-N 1 0 343.446 3.259 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000808715964 1317721008 /nfs/dbraw/zinc/72/10/08/1317721008.db2.gz ZOBLWKATYUPFOZ-BLLLJJGKSA-N 1 0 327.852 3.182 20 10 EGCDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808718098 1317722236 /nfs/dbraw/zinc/72/22/36/1317722236.db2.gz LQRFZZXXYQWDHY-LBPRGKRZSA-N 1 0 340.851 3.483 20 10 EGCDRO CC(C)(C)OC(=O)NC1CC([NH2+]CCCSc2nccs2)C1 ZINC000809622172 1317847742 /nfs/dbraw/zinc/84/77/42/1317847742.db2.gz DLMTWEUSBPBMNV-UHFFFAOYSA-N 1 0 343.518 3.271 20 10 EGCDRO CN(CCC[NH+](C)C)Cc1ccc(OCc2ccccc2)cc1O ZINC000809730085 1317881515 /nfs/dbraw/zinc/88/15/15/1317881515.db2.gz ZUHMXNOBRNZMTF-UHFFFAOYSA-N 1 0 328.456 3.355 20 10 EGCDRO COc1cccc(C[N@H+](CCCc2ccccc2)CCN(C)C)c1O ZINC000809736733 1317884898 /nfs/dbraw/zinc/88/48/98/1317884898.db2.gz HPLBEKBOYRZJEX-UHFFFAOYSA-N 1 0 342.483 3.397 20 10 EGCDRO COc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2)c1O ZINC000809740388 1317885987 /nfs/dbraw/zinc/88/59/87/1317885987.db2.gz XMQBGDLSJLZMQG-CQSZACIVSA-N 1 0 328.412 3.216 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000809770979 1317895130 /nfs/dbraw/zinc/89/51/30/1317895130.db2.gz CLMORSQHPCRTPQ-KRWDZBQOSA-N 1 0 347.478 3.116 20 10 EGCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809778760 1317897468 /nfs/dbraw/zinc/89/74/68/1317897468.db2.gz VWEQHVINVPIHKV-LJQANCHMSA-N 1 0 343.515 3.415 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(C)C)C2)cc1C ZINC001020849028 1317953016 /nfs/dbraw/zinc/95/30/16/1317953016.db2.gz PSSPHZVDGCSVFU-XLAORIBOSA-N 1 0 330.472 3.033 20 10 EGCDRO CC[C@@]1(C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020853228 1317957028 /nfs/dbraw/zinc/95/70/28/1317957028.db2.gz NCANMYLQKJQHLW-VIPLHTEESA-N 1 0 330.472 3.177 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c(O)c1 ZINC000810164507 1317966269 /nfs/dbraw/zinc/96/62/69/1317966269.db2.gz DWZMPBKGGFEVRG-UYAOXDASSA-N 1 0 327.424 3.047 20 10 EGCDRO CC[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810215570 1317977509 /nfs/dbraw/zinc/97/75/09/1317977509.db2.gz HBJZABNKEIGBKA-IUODEOHRSA-N 1 0 346.393 3.172 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810227681 1317980966 /nfs/dbraw/zinc/98/09/66/1317980966.db2.gz ZTDGCBMQQSIIGX-FZMZJTMJSA-N 1 0 342.361 3.215 20 10 EGCDRO CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)c1ccc(C(F)(F)F)cc1O ZINC000810228929 1317981056 /nfs/dbraw/zinc/98/10/56/1317981056.db2.gz OFWKAURSVNKBOK-GFCCVEGCSA-N 1 0 332.366 3.224 20 10 EGCDRO CCOC1CC(O)(C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810236972 1317982687 /nfs/dbraw/zinc/98/26/87/1317982687.db2.gz CLZVRSDDPAFUQJ-CXOJTPOUSA-N 1 0 347.377 3.382 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810237095 1317983213 /nfs/dbraw/zinc/98/32/13/1317983213.db2.gz FDMGJWUDJHQNLU-ZOWXZIJZSA-N 1 0 347.377 3.097 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CC2CC2)cc1C ZINC000959844425 1318222352 /nfs/dbraw/zinc/22/23/52/1318222352.db2.gz BELVIBZVWLMGNS-SFHVURJKSA-N 1 0 330.472 3.274 20 10 EGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811802366 1318268186 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342.508 3.371 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000819078452 1319629494 /nfs/dbraw/zinc/62/94/94/1319629494.db2.gz VQMABEHAMIHKNC-QGZVFWFLSA-N 1 0 348.874 3.244 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1F ZINC000819095763 1319633103 /nfs/dbraw/zinc/63/31/03/1319633103.db2.gz TZISSNCLIZEKQN-IBGZPJMESA-N 1 0 330.378 3.164 20 10 EGCDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819291583 1319691696 /nfs/dbraw/zinc/69/16/96/1319691696.db2.gz WESILKKJEQBNLP-HOCLYGCPSA-N 1 0 340.895 3.063 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccnc(Cl)c3F)C2)cc1 ZINC000822494235 1320088323 /nfs/dbraw/zinc/08/83/23/1320088323.db2.gz KHOLAYUECOSNBX-ZDUSSCGKSA-N 1 0 349.837 3.499 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)Cc3ccc(O)cc3)C2)cc1 ZINC000822494666 1320088376 /nfs/dbraw/zinc/08/83/76/1320088376.db2.gz RZXJFLLCKDWMQA-WMZOPIPTSA-N 1 0 340.467 3.448 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503365 1320090707 /nfs/dbraw/zinc/09/07/07/1320090707.db2.gz GXKYKTDLCNJYAQ-LJQANCHMSA-N 1 0 334.423 3.488 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000823691346 1320197572 /nfs/dbraw/zinc/19/75/72/1320197572.db2.gz JLOVPPLIEOBGSQ-UHFFFAOYSA-N 1 0 326.469 3.371 20 10 EGCDRO CO[C@]1(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCOC1 ZINC000824172025 1320235297 /nfs/dbraw/zinc/23/52/97/1320235297.db2.gz KBSCVZSACNQHRG-IBGZPJMESA-N 1 0 346.496 3.280 20 10 EGCDRO CCC[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000824544045 1320263919 /nfs/dbraw/zinc/26/39/19/1320263919.db2.gz SMCREDMTZDJXGM-LBPRGKRZSA-N 1 0 332.238 3.068 20 10 EGCDRO CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000824549035 1320264766 /nfs/dbraw/zinc/26/47/66/1320264766.db2.gz VOHRSFJQPOPYRQ-UHFFFAOYSA-N 1 0 341.293 3.459 20 10 EGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824716513 1320280127 /nfs/dbraw/zinc/28/01/27/1320280127.db2.gz WEXWNWVVRSUHLN-IIAWOOMASA-N 1 0 340.261 3.280 20 10 EGCDRO Cc1cc(O)c(CNc2ccc(N3CC[NH+](C)CC3)nc2)cc1Cl ZINC000825037534 1320305933 /nfs/dbraw/zinc/30/59/33/1320305933.db2.gz DUFLXWLGBMOEGZ-UHFFFAOYSA-N 1 0 346.862 3.113 20 10 EGCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(Br)cc1O ZINC000825277693 1320323173 /nfs/dbraw/zinc/32/31/73/1320323173.db2.gz DNAGYKCCIZDDRQ-AWEZNQCLSA-N 1 0 348.244 3.420 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000825337302 1320329446 /nfs/dbraw/zinc/32/94/46/1320329446.db2.gz FZYWKQPEZZADNO-KRWDZBQOSA-N 1 0 349.272 3.338 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000825353964 1320331142 /nfs/dbraw/zinc/33/11/42/1320331142.db2.gz QEDMVDQTGATFNH-CJNGLKHVSA-N 1 0 327.877 3.498 20 10 EGCDRO Oc1cc(Br)ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000825489025 1320342106 /nfs/dbraw/zinc/34/21/06/1320342106.db2.gz BZKMLCGSDLMGRH-CQSZACIVSA-N 1 0 340.261 3.403 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCn2cc(Br)cn2)cc1Cl ZINC000825892911 1320369431 /nfs/dbraw/zinc/36/94/31/1320369431.db2.gz JXTYZKPLGHVVKG-UHFFFAOYSA-N 1 0 344.640 3.103 20 10 EGCDRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)c(C)n1-c1cccc(Cl)c1 ZINC000837303681 1320594807 /nfs/dbraw/zinc/59/48/07/1320594807.db2.gz HJOLIDPNGVBOJV-UHFFFAOYSA-N 1 0 345.874 3.477 20 10 EGCDRO C[N@H+](CCCO)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839072203 1320862528 /nfs/dbraw/zinc/86/25/28/1320862528.db2.gz LNQDHCXEVSQATR-UHFFFAOYSA-N 1 0 341.293 3.254 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000839644089 1320950611 /nfs/dbraw/zinc/95/06/11/1320950611.db2.gz NVKITSZQKJWWDO-OAQYLSRUSA-N 1 0 336.435 3.363 20 10 EGCDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840158397 1321041848 /nfs/dbraw/zinc/04/18/48/1321041848.db2.gz AOKFSIQAFCAJHQ-HXUWFJFHSA-N 1 0 342.439 3.494 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000840862607 1321164477 /nfs/dbraw/zinc/16/44/77/1321164477.db2.gz CJEIHIZXLWSKCS-GOSISDBHSA-N 1 0 346.496 3.397 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)c(O)c1C ZINC000840866173 1321164864 /nfs/dbraw/zinc/16/48/64/1321164864.db2.gz LASRRMQBESFKLW-AWEZNQCLSA-N 1 0 333.453 3.263 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)c1O ZINC000840889562 1321171300 /nfs/dbraw/zinc/17/13/00/1321171300.db2.gz IPCRUQUGOFYSGZ-GFCCVEGCSA-N 1 0 345.892 3.220 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000840892940 1321172132 /nfs/dbraw/zinc/17/21/32/1321172132.db2.gz FHRCZDBPBYAGLY-HOTGVXAUSA-N 1 0 326.488 3.486 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000840913708 1321176596 /nfs/dbraw/zinc/17/65/96/1321176596.db2.gz IIFYDUNLGJRVGV-IBGZPJMESA-N 1 0 329.488 3.038 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000840931981 1321179560 /nfs/dbraw/zinc/17/95/60/1321179560.db2.gz LULUKJWODUQAKW-UHFFFAOYSA-N 1 0 341.455 3.188 20 10 EGCDRO CCCN(Cc1ccc(S(C)(=O)=O)s1)c1ccc(C[NH3+])cc1 ZINC000840942283 1321182644 /nfs/dbraw/zinc/18/26/44/1321182644.db2.gz XXERCYSYAYGKGG-UHFFFAOYSA-N 1 0 338.498 3.027 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000840942132 1321182816 /nfs/dbraw/zinc/18/28/16/1321182816.db2.gz SYZLVPMQAZUFMF-HOCLYGCPSA-N 1 0 330.394 3.196 20 10 EGCDRO COc1cc(O)c(C[NH2+]Cc2cnccc2C(C)(C)C)cc1OC ZINC000840958004 1321186247 /nfs/dbraw/zinc/18/62/47/1321186247.db2.gz GTMJCZAZYBIOEV-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO COc1cc(OCC[NH+](C)C)ccc1NCc1cc(F)ccc1O ZINC000840959687 1321187199 /nfs/dbraw/zinc/18/71/99/1321187199.db2.gz YFYWSGIVFREFPH-UHFFFAOYSA-N 1 0 334.391 3.092 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000840966174 1321189154 /nfs/dbraw/zinc/18/91/54/1321189154.db2.gz DAFGHEHKKVRAON-APWZRJJASA-N 1 0 349.475 3.470 20 10 EGCDRO CC[C@@](C[NH2+]Cc1cccc(OC)c1O)(C(=O)OC)c1ccccc1 ZINC000840976680 1321192188 /nfs/dbraw/zinc/19/21/88/1321192188.db2.gz DLHGRXZVKYDENZ-FQEVSTJZSA-N 1 0 343.423 3.011 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000841044717 1321208533 /nfs/dbraw/zinc/20/85/33/1321208533.db2.gz XWKIAKJEHFXLLN-MRXNPFEDSA-N 1 0 348.834 3.104 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000841046262 1321209343 /nfs/dbraw/zinc/20/93/43/1321209343.db2.gz YQZRXPDBPCVJPU-KRWDZBQOSA-N 1 0 348.834 3.104 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C/C=C/c2ccc(F)cc2F)cc1 ZINC000841046224 1321209440 /nfs/dbraw/zinc/20/94/40/1321209440.db2.gz YBWVVYOLIOSPSH-RTLBZRNLSA-N 1 0 331.410 3.334 20 10 EGCDRO COc1cc(Cl)cc(CN2CC[NH2+]Cc3c(C)cccc32)c1O ZINC000841089733 1321216971 /nfs/dbraw/zinc/21/69/71/1321216971.db2.gz NIFLLYOCPBSLOM-UHFFFAOYSA-N 1 0 332.831 3.472 20 10 EGCDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(N)cc1 ZINC000841301542 1321250082 /nfs/dbraw/zinc/25/00/82/1321250082.db2.gz UAJPVYJGPGPVKV-UHFFFAOYSA-N 1 0 330.407 3.004 20 10 EGCDRO C[NH2+]Cc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000841331130 1321258027 /nfs/dbraw/zinc/25/80/27/1321258027.db2.gz VJSSEKLDPMCRNH-UHFFFAOYSA-N 1 0 339.439 3.312 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1O ZINC000841743147 1321304646 /nfs/dbraw/zinc/30/46/46/1321304646.db2.gz CYZMKBJIMWYSNA-CYBMUJFWSA-N 1 0 347.846 3.128 20 10 EGCDRO CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841745590 1321305836 /nfs/dbraw/zinc/30/58/36/1321305836.db2.gz QNICVCNBHHYFQB-HNNXBMFYSA-N 1 0 339.911 3.114 20 10 EGCDRO CN(c1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1)C1CCCCC1 ZINC000841759116 1321308494 /nfs/dbraw/zinc/30/84/94/1321308494.db2.gz NWILHJIWNMJLKN-QGZVFWFLSA-N 1 0 344.503 3.088 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3COC(C)(C)C3)cc2F)C[C@@H](C)O1 ZINC000841854478 1321323690 /nfs/dbraw/zinc/32/36/90/1321323690.db2.gz ALWKUNNDFXCSJU-FMKPAKJESA-N 1 0 336.451 3.096 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCC1([NH3+])CCCCC1 ZINC000841924498 1321329707 /nfs/dbraw/zinc/32/97/07/1321329707.db2.gz UYGJHXOBVNQBQD-UHFFFAOYSA-N 1 0 333.476 3.366 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000841926316 1321330333 /nfs/dbraw/zinc/33/03/33/1321330333.db2.gz GHZCMDHLICXURQ-SJLPKXTDSA-N 1 0 346.519 3.062 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000841969500 1321332709 /nfs/dbraw/zinc/33/27/09/1321332709.db2.gz DBOGKVAPXXLEBO-HXUWFJFHSA-N 1 0 346.519 3.064 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000841997180 1321334392 /nfs/dbraw/zinc/33/43/92/1321334392.db2.gz KBXHAOSEQBOCDS-INIZCTEOSA-N 1 0 334.508 3.190 20 10 EGCDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000842210704 1321362661 /nfs/dbraw/zinc/36/26/61/1321362661.db2.gz FEQGJGHAIRZYAU-AWEZNQCLSA-N 1 0 341.293 3.300 20 10 EGCDRO Cc1cc(C(=O)NCC[NH+]2CCCC2)c(C)n1-c1ccccc1C ZINC000842264807 1321366662 /nfs/dbraw/zinc/36/66/62/1321366662.db2.gz CWXIDXTWZZNBOQ-UHFFFAOYSA-N 1 0 325.456 3.228 20 10 EGCDRO Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000842672887 1321416530 /nfs/dbraw/zinc/41/65/30/1321416530.db2.gz FYVYSYMOHTWJMJ-UHFFFAOYSA-N 1 0 342.418 3.483 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)NCc1cccs1 ZINC000842749670 1321427752 /nfs/dbraw/zinc/42/77/52/1321427752.db2.gz FXRYCCCWOSANTC-CQSZACIVSA-N 1 0 338.860 3.292 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(=O)NCc1cccs1 ZINC000842909462 1321448584 /nfs/dbraw/zinc/44/85/84/1321448584.db2.gz QZMJLHPCVMJKLX-WBMJQRKESA-N 1 0 348.468 3.208 20 10 EGCDRO CCCN(Cc1cc(Br)cc(C)c1O)[C@H]1CC[NH2+]C1 ZINC000843052972 1321462018 /nfs/dbraw/zinc/46/20/18/1321462018.db2.gz RIWGSORVORZVGR-AWEZNQCLSA-N 1 0 327.266 3.037 20 10 EGCDRO C[C@H](C(=O)N1CCCc2ccccc21)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350721 1321504212 /nfs/dbraw/zinc/50/42/12/1321504212.db2.gz XPDXWRLPPDMRCB-MRXNPFEDSA-N 1 0 349.478 3.266 20 10 EGCDRO C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350470 1321504337 /nfs/dbraw/zinc/50/43/37/1321504337.db2.gz RRHCQFFUGMLXDC-GFCCVEGCSA-N 1 0 345.393 3.203 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc(-c2cccs2)no1 ZINC000843350202 1321504507 /nfs/dbraw/zinc/50/45/07/1321504507.db2.gz PCDBLCSCRNOJIR-UHFFFAOYSA-N 1 0 326.425 3.210 20 10 EGCDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(N3CCOCC3)c(F)c1)CCOCC2 ZINC000843432297 1321518808 /nfs/dbraw/zinc/51/88/08/1321518808.db2.gz VKFLVPVQRGXWEK-INIZCTEOSA-N 1 0 348.462 3.053 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)COCC2CC2)c1O ZINC000846074100 1321766345 /nfs/dbraw/zinc/76/63/45/1321766345.db2.gz WXUOHIQAOSHRBD-LLVKDONJSA-N 1 0 328.250 3.368 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)c1O ZINC000846144887 1321771594 /nfs/dbraw/zinc/77/15/94/1321771594.db2.gz NYBLFBDPRSCLSM-HNNXBMFYSA-N 1 0 337.423 3.496 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)NCCC1CC[NH2+]CC1 ZINC000846212197 1321776584 /nfs/dbraw/zinc/77/65/84/1321776584.db2.gz BJEUORHVMGRSGQ-UHFFFAOYSA-N 1 0 333.476 3.094 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccccc2C(C)(C)C)cc1 ZINC000846663223 1321799046 /nfs/dbraw/zinc/79/90/46/1321799046.db2.gz FNRKZLKEEYAUEY-LJQANCHMSA-N 1 0 339.483 3.480 20 10 EGCDRO Cn1cncc1CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000846824396 1321812982 /nfs/dbraw/zinc/81/29/82/1321812982.db2.gz MSOHOKBZVCNYSY-UHFFFAOYSA-N 1 0 325.412 3.354 20 10 EGCDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000847355854 1321864997 /nfs/dbraw/zinc/86/49/97/1321864997.db2.gz IBMXFPQEBSZFFE-KFKAGJAMSA-N 1 0 344.503 3.130 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccnc(OC)c3)C2)cc1 ZINC000848552972 1321975404 /nfs/dbraw/zinc/97/54/04/1321975404.db2.gz GXFVIGLVWDGQMQ-HZPDHXFCSA-N 1 0 341.455 3.276 20 10 EGCDRO CCc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000848880580 1322026983 /nfs/dbraw/zinc/02/69/83/1322026983.db2.gz QUXKIWCQGHHXPT-UHFFFAOYSA-N 1 0 340.467 3.423 20 10 EGCDRO CCc1cccc(C[N@H+](CC)CC(=O)Nc2cccc(OC)c2)c1O ZINC000848877519 1322027382 /nfs/dbraw/zinc/02/73/82/1322027382.db2.gz SYESQCQFZZXRCN-UHFFFAOYSA-N 1 0 342.439 3.424 20 10 EGCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000848930782 1322048564 /nfs/dbraw/zinc/04/85/64/1322048564.db2.gz WOHRUEMDRSEYAM-UHFFFAOYSA-N 1 0 326.440 3.066 20 10 EGCDRO COc1ccc(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)c(O)c1 ZINC000849095735 1322076123 /nfs/dbraw/zinc/07/61/23/1322076123.db2.gz LHZGVGZQLGJTSV-UHFFFAOYSA-N 1 0 335.791 3.199 20 10 EGCDRO COc1cc(C[NH2+]CCCc2c[nH]nc2C)c(O)c(C(C)(C)C)c1 ZINC000850024719 1322183520 /nfs/dbraw/zinc/18/35/20/1322183520.db2.gz MRGNWDLASFERMZ-UHFFFAOYSA-N 1 0 331.460 3.452 20 10 EGCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCCSc1nccs1 ZINC000850146579 1322198598 /nfs/dbraw/zinc/19/85/98/1322198598.db2.gz SMUCZGPVMWFWNA-UHFFFAOYSA-N 1 0 336.408 3.167 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c(O)c(C(C)(C)C)c1 ZINC000850187006 1322204357 /nfs/dbraw/zinc/20/43/57/1322204357.db2.gz VXVNFQROEGEUBF-CQSZACIVSA-N 1 0 329.444 3.069 20 10 EGCDRO COc1cc(C[NH2+][C@H](C)Cc2cc(C)n[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850196269 1322204837 /nfs/dbraw/zinc/20/48/37/1322204837.db2.gz SBPQNQXETTZLKB-GFCCVEGCSA-N 1 0 331.460 3.451 20 10 EGCDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850293889 1322224035 /nfs/dbraw/zinc/22/40/35/1322224035.db2.gz QNXOPOAJUNYTKD-UHFFFAOYSA-N 1 0 337.460 3.377 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H]2COc3cc(F)ccc3C2)ccc1OC ZINC000850381484 1322236172 /nfs/dbraw/zinc/23/61/72/1322236172.db2.gz GIFMEQZKPAGQRR-GOSISDBHSA-N 1 0 345.414 3.464 20 10 EGCDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850406105 1322239990 /nfs/dbraw/zinc/23/99/90/1322239990.db2.gz RYAYYDUAIFGYST-UHFFFAOYSA-N 1 0 331.485 3.011 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccccc1O ZINC000850516287 1322260168 /nfs/dbraw/zinc/26/01/68/1322260168.db2.gz UMQPCUVCPVFELF-KBXCAEBGSA-N 1 0 340.423 3.247 20 10 EGCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccccc1O ZINC000850532707 1322262252 /nfs/dbraw/zinc/26/22/52/1322262252.db2.gz XATPBMCFDDTNNR-HNNXBMFYSA-N 1 0 325.474 3.180 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(F)ccc1O ZINC000850568350 1322269218 /nfs/dbraw/zinc/26/92/18/1322269218.db2.gz VWZIJINCLPTNMI-CQSZACIVSA-N 1 0 344.430 3.343 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCCO[C@@H]2CCCCO2)cc1F ZINC000922230740 1322483432 /nfs/dbraw/zinc/48/34/32/1322483432.db2.gz ITGIGSBRPHREAK-QGZVFWFLSA-N 1 0 328.403 3.054 20 10 EGCDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1c(O)cccc1Br ZINC000922947355 1322656754 /nfs/dbraw/zinc/65/67/54/1322656754.db2.gz MFASCDZTMVAWMQ-UHFFFAOYSA-N 1 0 336.233 3.055 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000852019226 1323133589 /nfs/dbraw/zinc/13/35/89/1323133589.db2.gz VVAFFMJNOLPOSM-BPQIPLTHSA-N 1 0 330.472 3.442 20 10 EGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3CC4(C3)CCCC4)cc2)C1 ZINC000924726620 1323136083 /nfs/dbraw/zinc/13/60/83/1323136083.db2.gz AOSAVWQDFCHVFT-QGZVFWFLSA-N 1 0 341.499 3.201 20 10 EGCDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925011115 1323245031 /nfs/dbraw/zinc/24/50/31/1323245031.db2.gz KQRRWBKOANBEDC-AEFFLSMTSA-N 1 0 329.488 3.070 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000852883555 1323249934 /nfs/dbraw/zinc/24/99/34/1323249934.db2.gz ZFJHOMKSSTUCFU-UHFFFAOYSA-N 1 0 343.496 3.122 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C2CCC2)cc1C ZINC001024841658 1323738656 /nfs/dbraw/zinc/73/86/56/1323738656.db2.gz SMKIERSWNOYCSR-GOSISDBHSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)/C=C(/C)C3CC3)C2)cc1C ZINC001026710898 1324987387 /nfs/dbraw/zinc/98/73/87/1324987387.db2.gz DMEGTVSRZQYWGJ-RXBGNRNISA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3coc(C)c3)C2)cc1C ZINC001026803528 1325028088 /nfs/dbraw/zinc/02/80/88/1325028088.db2.gz OOGYYLIBJNCFFC-QGZVFWFLSA-N 1 0 342.439 3.157 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853555852 1325123480 /nfs/dbraw/zinc/12/34/80/1325123480.db2.gz QUUCTOFSIXUAOD-PBHICJAKSA-N 1 0 330.472 3.099 20 10 EGCDRO CCC[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001027050004 1325187851 /nfs/dbraw/zinc/18/78/51/1325187851.db2.gz SGALJITYTGUVPF-GUDVDZBRSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1cc(CCC[NH2+]Cc2cccc(C)c2O)cc(OC)c1O ZINC000857069945 1325568081 /nfs/dbraw/zinc/56/80/81/1325568081.db2.gz XIPXVGBLBNYPHS-UHFFFAOYSA-N 1 0 331.412 3.146 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000862237624 1329469615 /nfs/dbraw/zinc/46/96/15/1329469615.db2.gz BGAUZVTZDOTIGI-LBPRGKRZSA-N 1 0 336.233 3.188 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862249462 1329470872 /nfs/dbraw/zinc/47/08/72/1329470872.db2.gz PWSHCAOSBVQQBY-ZDUSSCGKSA-N 1 0 341.293 3.318 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000862397790 1329482343 /nfs/dbraw/zinc/48/23/43/1329482343.db2.gz OBFKELKYCDSXLM-INIZCTEOSA-N 1 0 348.450 3.255 20 10 EGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)ccc2ccncc21 ZINC000863294084 1329544425 /nfs/dbraw/zinc/54/44/25/1329544425.db2.gz OGRUULOGTUIXLT-UHFFFAOYSA-N 1 0 345.443 3.287 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccnc(N3CCSCC3)c1)CC2 ZINC000866474767 1330116733 /nfs/dbraw/zinc/11/67/33/1330116733.db2.gz SIQAZXVPZOUUCO-MRXNPFEDSA-N 1 0 341.480 3.118 20 10 EGCDRO CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945221674 1332534822 /nfs/dbraw/zinc/53/48/22/1332534822.db2.gz KOGCVILTXUNBTC-CZUORRHYSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)c3ccco3)C2)cc1C ZINC000969934533 1336262773 /nfs/dbraw/zinc/26/27/73/1336262773.db2.gz PVRFRIGBUAXGJM-DOTOQJQBSA-N 1 0 342.439 3.091 20 10 EGCDRO CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034545193 1342606910 /nfs/dbraw/zinc/60/69/10/1342606910.db2.gz SUCGZQWKRZEJRO-MRXNPFEDSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(F)CCCC2)cc1C ZINC001034981190 1342863143 /nfs/dbraw/zinc/86/31/43/1342863143.db2.gz YGMSUBYIKYPVJO-QGZVFWFLSA-N 1 0 348.462 3.367 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@]2(C)C=CCC2)cc1C ZINC001035016527 1342877760 /nfs/dbraw/zinc/87/77/60/1342877760.db2.gz BNUVYFHCQVNHOP-WIYYLYMNSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C)C(C)C)cc1C ZINC001035067672 1342909584 /nfs/dbraw/zinc/90/95/84/1342909584.db2.gz OMSJUYIHLWSYSF-SJLPKXTDSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@@H]2C)cc1C ZINC001035957171 1343287856 /nfs/dbraw/zinc/28/78/56/1343287856.db2.gz CBSWWUILBFEOET-FAASWCDASA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C(C)(C)F)cc1C ZINC001036925684 1343868681 /nfs/dbraw/zinc/86/86/81/1343868681.db2.gz NGPFWAPFELVFOE-HOTGVXAUSA-N 1 0 336.451 3.126 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)C(C)C)cc1C ZINC001037188571 1344028315 /nfs/dbraw/zinc/02/83/15/1344028315.db2.gz QXSJMUMRPHZXBA-MSOLQXFVSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCC3)[C@H](C)C2)cc1C ZINC001044404066 1346318271 /nfs/dbraw/zinc/31/82/71/1346318271.db2.gz MQTSYVBVSFUFSY-QAPCUYQASA-N 1 0 330.472 3.273 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@H]2C=CCC2)cc1C ZINC001044917623 1346462471 /nfs/dbraw/zinc/46/24/71/1346462471.db2.gz QREGOGBDYDWLFS-HKUYNNGSSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C3CCC3)C2)cc1C ZINC001047668331 1347323184 /nfs/dbraw/zinc/32/31/84/1347323184.db2.gz UEOKQDSNNUWWMA-QAPCUYQASA-N 1 0 330.472 3.130 20 10 EGCDRO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052966892 1348777800 /nfs/dbraw/zinc/77/78/00/1348777800.db2.gz YAKVLVIBRMJMPV-OAHLLOKOSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)/C=C(/C)C3CC3)C[C@@H]2C)cc1C ZINC001054449095 1349362901 /nfs/dbraw/zinc/36/29/01/1349362901.db2.gz OGZZNFHEHZBWGY-GTAWAQRVSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)C(C)(C)F)C23CCC3)cc1C ZINC001078531882 1356999640 /nfs/dbraw/zinc/99/96/40/1356999640.db2.gz RZGGKVQRGDSJOJ-IAGOWNOFSA-N 1 0 348.462 3.269 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC3(C)C)C[C@H]2C)cc1C ZINC001082695812 1358077103 /nfs/dbraw/zinc/07/71/03/1358077103.db2.gz PONVDIWSTOQWPF-BPQIPLTHSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3CC(C)C3)C2)cc1C ZINC001086338744 1359071209 /nfs/dbraw/zinc/07/12/09/1359071209.db2.gz CPTFXGAIAWLQIX-SWXNXHDISA-N 1 0 330.472 3.034 20 10 EGCDRO CC1([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)OCCO1 ZINC001323784908 1387450298 /nfs/dbraw/zinc/45/02/98/1387450298.db2.gz HPASENPZQWWXFD-GOSISDBHSA-N 1 0 330.472 3.262 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001325340381 1387940898 /nfs/dbraw/zinc/94/08/98/1387940898.db2.gz OKEFJZWVJNYYSD-UGUYLWEFSA-N 1 0 330.472 3.486 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)C=C(C)C)C23CCC3)cc1C ZINC001202382650 1369755903 /nfs/dbraw/zinc/75/59/03/1369755903.db2.gz HCHHQVNHMSAEBN-RTBURBONSA-N 1 0 342.483 3.487 20 10 EGCDRO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1O)CC2 ZINC001203550302 1370165824 /nfs/dbraw/zinc/16/58/24/1370165824.db2.gz QPPLJBIKLSNHFK-UHFFFAOYSA-N 1 0 325.408 3.056 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2O)C1 ZINC001203550538 1370166116 /nfs/dbraw/zinc/16/61/16/1370166116.db2.gz YNMVEFHSBPROKD-GOEBONIOSA-N 1 0 332.444 3.224 20 10 EGCDRO Oc1ccccc1C[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001203551507 1370166736 /nfs/dbraw/zinc/16/67/36/1370166736.db2.gz GILSLWIDYBEQOF-UHFFFAOYSA-N 1 0 338.455 3.065 20 10 EGCDRO COc1cccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)c1O ZINC001203586079 1370178939 /nfs/dbraw/zinc/17/89/39/1370178939.db2.gz XVFFYSNTHBOWSP-UHFFFAOYSA-N 1 0 327.424 3.193 20 10 EGCDRO CCOc1cccc(CN2CC[NH+](CC3CCCCC3)CC2)c1O ZINC001203602409 1370184758 /nfs/dbraw/zinc/18/47/58/1370184758.db2.gz VKOHUSDTIJSGOO-UHFFFAOYSA-N 1 0 332.488 3.489 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1O ZINC001203615012 1370188958 /nfs/dbraw/zinc/18/89/58/1370188958.db2.gz KOZKYAHFGPDNGO-UHFFFAOYSA-N 1 0 329.396 3.151 20 10 EGCDRO COc1ccc(C[NH+]2CCC3(CC[C@@H](COC(C)=O)C3)CC2)c(O)c1 ZINC001203634514 1370195522 /nfs/dbraw/zinc/19/55/22/1370195522.db2.gz JYCNZCOUSCUJTO-MRXNPFEDSA-N 1 0 347.455 3.346 20 10 EGCDRO CCN(CC[NH+](CC)CC)Cc1cc(Br)ccc1O ZINC001203642838 1370198865 /nfs/dbraw/zinc/19/88/65/1370198865.db2.gz OPQWIMQHQWCQLS-UHFFFAOYSA-N 1 0 329.282 3.318 20 10 EGCDRO CCCC[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC001203642427 1370199086 /nfs/dbraw/zinc/19/90/86/1370199086.db2.gz HCALFYOYLZKGDW-UHFFFAOYSA-N 1 0 327.266 3.072 20 10 EGCDRO O=C1CCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)N1CC1CC1 ZINC001203655748 1370203350 /nfs/dbraw/zinc/20/33/50/1370203350.db2.gz CDNYFGZIVQUHNO-UHFFFAOYSA-N 1 0 348.874 3.413 20 10 EGCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203656782 1370203931 /nfs/dbraw/zinc/20/39/31/1370203931.db2.gz XQYFWLUWHNOKEG-KSSFIOAISA-N 1 0 339.863 3.453 20 10 EGCDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cc(Cl)ccc3O)O2)n1 ZINC001203656313 1370204254 /nfs/dbraw/zinc/20/42/54/1370204254.db2.gz MTVMEXICXFCINS-FVQBIDKESA-N 1 0 349.818 3.232 20 10 EGCDRO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)C1CCCC1 ZINC001203657265 1370204293 /nfs/dbraw/zinc/20/42/93/1370204293.db2.gz IXGUQEOLILCGPI-UHFFFAOYSA-N 1 0 336.863 3.316 20 10 EGCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cc(Cl)ccc1O)C2 ZINC001203659744 1370205806 /nfs/dbraw/zinc/20/58/06/1370205806.db2.gz ZSSTUGDVFHVQHG-UHFFFAOYSA-N 1 0 348.878 3.098 20 10 EGCDRO O=C1OC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)c2cccnc21 ZINC001203664354 1370207435 /nfs/dbraw/zinc/20/74/35/1370207435.db2.gz ARZKPMKDXWZRIW-UHFFFAOYSA-N 1 0 344.798 3.102 20 10 EGCDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC001203681192 1370216227 /nfs/dbraw/zinc/21/62/27/1370216227.db2.gz PVDMCNSWMUYPQL-OAHLLOKOSA-N 1 0 343.423 3.355 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)c(O)c2)C1 ZINC001203874576 1370296519 /nfs/dbraw/zinc/29/65/19/1370296519.db2.gz AJNSQXMSAIGCJS-LJQANCHMSA-N 1 0 348.443 3.073 20 10 EGCDRO Oc1ccc(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)cc1O ZINC001203877888 1370297167 /nfs/dbraw/zinc/29/71/67/1370297167.db2.gz YOBMWGFTTHIMNH-UHFFFAOYSA-N 1 0 347.418 3.156 20 10 EGCDRO CN(Cc1ccc(O)c(O)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001203883337 1370298307 /nfs/dbraw/zinc/29/83/07/1370298307.db2.gz IKXWFVLZWBYRCD-GOSISDBHSA-N 1 0 326.440 3.194 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001203930302 1370318559 /nfs/dbraw/zinc/31/85/59/1370318559.db2.gz RMJXKQOQZNRQHA-CRAIPNDOSA-N 1 0 347.503 3.488 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)cc1 ZINC001203935646 1370321305 /nfs/dbraw/zinc/32/13/05/1370321305.db2.gz ALBJYVGRVKTXLD-UHFFFAOYSA-N 1 0 331.504 3.269 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c2ccccc21 ZINC001204235063 1370418086 /nfs/dbraw/zinc/41/80/86/1370418086.db2.gz FMHLAZVSTGWNKX-QGZVFWFLSA-N 1 0 340.467 3.022 20 10 EGCDRO CC[N@H+](CCN1CCOCC1)Cc1ccc(N(C)C)c2ccccc12 ZINC001204240397 1370419031 /nfs/dbraw/zinc/41/90/31/1370419031.db2.gz RBMQDPGBOYWPFM-UHFFFAOYSA-N 1 0 341.499 3.060 20 10 EGCDRO COc1cccc(C(=O)C2CC[NH+](Cc3ccc(O)cc3O)CC2)c1 ZINC001204277019 1370429268 /nfs/dbraw/zinc/42/92/68/1370429268.db2.gz WDYLXPQRKJEIJQ-UHFFFAOYSA-N 1 0 341.407 3.201 20 10 EGCDRO COc1ccccc1[C@@H](O)C[N@H+](Cc1ccc(O)cc1O)C(C)C ZINC001204280726 1370431069 /nfs/dbraw/zinc/43/10/69/1370431069.db2.gz NUXXYYFXQBIMGB-SFHVURJKSA-N 1 0 331.412 3.050 20 10 EGCDRO Cc1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001204322972 1370444174 /nfs/dbraw/zinc/44/41/74/1370444174.db2.gz XLGIDXRERPJNCG-UHFFFAOYSA-N 1 0 336.483 3.312 20 10 EGCDRO CCN1CCC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1=O ZINC001204328276 1370445149 /nfs/dbraw/zinc/44/51/49/1370445149.db2.gz FVKHOGFTGZIYRK-UHFFFAOYSA-N 1 0 341.499 3.121 20 10 EGCDRO CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329307 1370445304 /nfs/dbraw/zinc/44/53/04/1370445304.db2.gz LIKGMUICSUTBFX-UHFFFAOYSA-N 1 0 343.515 3.414 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1O ZINC001204341301 1370448233 /nfs/dbraw/zinc/44/82/33/1370448233.db2.gz DLSWJIZEDZNEKI-UWJYBYFXSA-N 1 0 330.197 3.096 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)cc(O)c1O ZINC001204341509 1370448382 /nfs/dbraw/zinc/44/83/82/1370448382.db2.gz DTTZLWMWIZZBPG-OAHLLOKOSA-N 1 0 329.396 3.068 20 10 EGCDRO COc1cccc([C@@H]2CCC[N@H+](Cc3cc(O)c(O)c(OC)c3)C2)c1 ZINC001204348348 1370449533 /nfs/dbraw/zinc/44/95/33/1370449533.db2.gz CGDKYVVPRJHXEB-MRXNPFEDSA-N 1 0 343.423 3.495 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205582214 1370799832 /nfs/dbraw/zinc/79/98/32/1370799832.db2.gz XHMPNLOVQNUNQB-OAHLLOKOSA-N 1 0 345.256 3.116 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001116047843 1370826411 /nfs/dbraw/zinc/82/64/11/1370826411.db2.gz XHCVPWYLVGKRBB-RTBURBONSA-N 1 0 346.519 3.157 20 10 EGCDRO Cc1cc(O)c(CN2CCC[C@H](C[NH3+])[C@H]2C)cc1Br ZINC001205914797 1370908864 /nfs/dbraw/zinc/90/88/64/1370908864.db2.gz NTDUGFZXQNTMBM-VXGBXAGGSA-N 1 0 327.266 3.022 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c2c1 ZINC001206024328 1370941169 /nfs/dbraw/zinc/94/11/69/1370941169.db2.gz INLQEEMWODFZPG-ZBFHGGJFSA-N 1 0 328.456 3.361 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(F)c(OC)c3)C2)cc1 ZINC001326045455 1388104762 /nfs/dbraw/zinc/10/47/62/1388104762.db2.gz CEQNRZRMMRRQFM-MRXNPFEDSA-N 1 0 344.430 3.459 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC001118431322 1371181096 /nfs/dbraw/zinc/18/10/96/1371181096.db2.gz RDXVXWCIAZWWQA-OIISXLGYSA-N 1 0 330.472 3.092 20 10 EGCDRO C[C@@H](C[N@@H+]1CCCc2cc(O)c(O)cc2C1)OCc1ccccc1 ZINC001208703357 1371868781 /nfs/dbraw/zinc/86/87/81/1371868781.db2.gz ZPZBRTATXJBCNA-HNNXBMFYSA-N 1 0 327.424 3.451 20 10 EGCDRO C[C@H]1C[C@@H]1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001209425571 1372103759 /nfs/dbraw/zinc/10/37/59/1372103759.db2.gz FUNHSTGGAYXYMY-PKOBYXMFSA-N 1 0 337.467 3.439 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cc1 ZINC001209516882 1372126924 /nfs/dbraw/zinc/12/69/24/1372126924.db2.gz RLPWUQROOISVFG-SESVDKBCSA-N 1 0 340.467 3.066 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)cc1 ZINC001209518178 1372127260 /nfs/dbraw/zinc/12/72/60/1372127260.db2.gz OODPYNJGPVEWJX-IBGZPJMESA-N 1 0 339.483 3.394 20 10 EGCDRO CC[NH+](CC)CC[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001123732763 1372571901 /nfs/dbraw/zinc/57/19/01/1372571901.db2.gz ACHLBJZUSCBWTR-MRXNPFEDSA-N 1 0 334.508 3.014 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1C ZINC001131087187 1373639631 /nfs/dbraw/zinc/63/96/31/1373639631.db2.gz ASKBIRQROCIZKE-HKUYNNGSSA-N 1 0 344.499 3.448 20 10 EGCDRO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188250889 1388275378 /nfs/dbraw/zinc/27/53/78/1388275378.db2.gz DONZHNSSYYLFEN-MRXNPFEDSA-N 1 0 345.447 3.089 20 10 EGCDRO Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2C[NH2+]CCN2)c(C)c1 ZINC001219206333 1373693953 /nfs/dbraw/zinc/69/39/53/1373693953.db2.gz WYOAJDSHPPFKEF-FTGFMQHASA-N 1 0 337.427 3.219 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC001326800973 1388315119 /nfs/dbraw/zinc/31/51/19/1388315119.db2.gz PSRQQBWQYOFWSQ-DZGCQCFKSA-N 1 0 335.407 3.047 20 10 EGCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1O ZINC001231593217 1376273847 /nfs/dbraw/zinc/27/38/47/1376273847.db2.gz SNKQWXXVMXQFSR-LJQANCHMSA-N 1 0 342.464 3.391 20 10 EGCDRO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC001231593320 1376274485 /nfs/dbraw/zinc/27/44/85/1376274485.db2.gz ULXOLSAVQBFDMX-HNNXBMFYSA-N 1 0 334.460 3.389 20 10 EGCDRO COc1cc(C[N@@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)c(O)cc1O ZINC001231636807 1376288037 /nfs/dbraw/zinc/28/80/37/1376288037.db2.gz AAWMUIVJEVXBHU-FQEVSTJZSA-N 1 0 343.423 3.162 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)cc1Cl ZINC001231870505 1376330635 /nfs/dbraw/zinc/33/06/35/1376330635.db2.gz GOTCIBVYKRISFI-UHFFFAOYSA-N 1 0 330.806 3.269 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1Cl ZINC001231868920 1376331229 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CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1C ZINC001140468498 1378068859 /nfs/dbraw/zinc/06/88/59/1378068859.db2.gz NBDCPIPMEMLXSB-QWHCGFSZSA-N 1 0 325.836 3.457 20 10 EGCDRO CC[N@H+](C)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001140474344 1378069428 /nfs/dbraw/zinc/06/94/28/1378069428.db2.gz MRMDGPWNZHGGPR-UHFFFAOYSA-N 1 0 333.476 3.195 20 10 EGCDRO [O-]c1cc(F)cc(F)c1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001140585598 1378090341 /nfs/dbraw/zinc/09/03/41/1378090341.db2.gz PCJGOGSCXZAACT-HNAYVOBHSA-N 1 0 344.405 3.377 20 10 EGCDRO O=C1C[C@@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1cc(F)ccc1O ZINC001273284101 1378094898 /nfs/dbraw/zinc/09/48/98/1378094898.db2.gz FOBBLTVTAYKNGN-HXUWFJFHSA-N 1 0 346.446 3.431 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1 ZINC001140619335 1378098438 /nfs/dbraw/zinc/09/84/38/1378098438.db2.gz BAXOBCALBNQAMT-ZBFHGGJFSA-N 1 0 332.444 3.142 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c1 ZINC001140617063 1378098748 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CCCOC1CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140661887 1378109207 /nfs/dbraw/zinc/10/92/07/1378109207.db2.gz WTNCQTLGHZVFIK-UHFFFAOYSA-N 1 0 336.451 3.053 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1O ZINC001140745349 1378128268 /nfs/dbraw/zinc/12/82/68/1378128268.db2.gz GQQAETHMJKLOJO-IEBWSBKVSA-N 1 0 338.451 3.113 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCN(Cc3ccco3)CC2)c(O)c1 ZINC001140855180 1378158296 /nfs/dbraw/zinc/15/82/96/1378158296.db2.gz QLVOVGDIBVWHQS-UHFFFAOYSA-N 1 0 343.471 3.149 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c(O)c1 ZINC001140856947 1378159225 /nfs/dbraw/zinc/15/92/25/1378159225.db2.gz JKDXJLYZYYLYHN-SFHVURJKSA-N 1 0 341.455 3.287 20 10 EGCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855993 1378159681 /nfs/dbraw/zinc/15/96/81/1378159681.db2.gz ODQFCXYGWZDNIM-QGZVFWFLSA-N 1 0 348.487 3.404 20 10 EGCDRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(O)c1 ZINC001140949553 1378189826 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Cc1cccc(N2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)c1 ZINC001141139973 1378247635 /nfs/dbraw/zinc/24/76/35/1378247635.db2.gz GELYQNSJWVHMIT-UHFFFAOYSA-N 1 0 337.467 3.146 20 10 EGCDRO OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(O)ccc1O ZINC001141161003 1378254517 /nfs/dbraw/zinc/25/45/17/1378254517.db2.gz MQAUCUAKRZVWCG-UHFFFAOYSA-N 1 0 342.222 3.399 20 10 EGCDRO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CC3CC[NH+]2CC3)cc1 ZINC001142632283 1378466420 /nfs/dbraw/zinc/46/64/20/1378466420.db2.gz IFCKWQPEWVICLN-FQEVSTJZSA-N 1 0 335.451 3.286 20 10 EGCDRO CC[N@H+](Cc1cnc2ccc(Cl)nn12)Cc1ccc(N(C)C)cc1 ZINC001142999532 1378523255 /nfs/dbraw/zinc/52/32/55/1378523255.db2.gz LWTMMXXWISCGOY-UHFFFAOYSA-N 1 0 343.862 3.471 20 10 EGCDRO CN1CCC2(CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)C1=O ZINC001143112319 1378542547 /nfs/dbraw/zinc/54/25/47/1378542547.db2.gz QBJIMELDOWBYCR-UHFFFAOYSA-N 1 0 330.472 3.134 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c1O ZINC001143117205 1378543601 /nfs/dbraw/zinc/54/36/01/1378543601.db2.gz 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EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)c2ccco2)cc1C ZINC001171383740 1384508051 /nfs/dbraw/zinc/50/80/51/1384508051.db2.gz KIGQNCKBPVKTLB-INIZCTEOSA-N 1 0 344.455 3.386 20 10 EGCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172229069 1384752218 /nfs/dbraw/zinc/75/22/18/1384752218.db2.gz KIAFNDFGRUFDQK-VHRNVKJDSA-N 1 0 326.440 3.255 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)NCc2ccco2)cc1 ZINC001317715354 1385417559 /nfs/dbraw/zinc/41/75/59/1385417559.db2.gz CBLJAUNUERZCKJ-MRXNPFEDSA-N 1 0 343.471 3.263 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C1(C2CC2)CCOCC1 ZINC001329156777 1388994640 /nfs/dbraw/zinc/99/46/40/1388994640.db2.gz TXOYEGVYUPLVGH-UHFFFAOYSA-N 1 0 326.234 3.204 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(F)s2)cc1C ZINC001177358753 1385928197 /nfs/dbraw/zinc/92/81/97/1385928197.db2.gz QXGLFQWSQHWCRN-UHFFFAOYSA-N 1 0 336.432 3.114 20 10 EGCDRO Cc1c(C(=O)NCCCSc2nccs2)ccc2c[nH+]cn21 ZINC001319878306 1386356022 /nfs/dbraw/zinc/35/60/22/1386356022.db2.gz VPTUETQYXNCLEG-UHFFFAOYSA-N 1 0 332.454 3.011 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC001320118161 1386524749 /nfs/dbraw/zinc/52/47/49/1386524749.db2.gz GDSDIXCNPCQVFU-KBPBESRZSA-N 1 0 326.444 3.357 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCS(=O)(=O)C(C)(C)C ZINC001320252346 1386563938 /nfs/dbraw/zinc/56/39/38/1386563938.db2.gz DLOCUOONYAMUGE-STQMWFEESA-N 1 0 325.474 3.052 20 10 EGCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001321903511 1387006540 /nfs/dbraw/zinc/00/65/40/1387006540.db2.gz HTERVVLNEPKZQG-DEOSSOPVSA-N 1 0 342.508 3.455 20 10 EGCDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(N2CCCCC2)cc1 ZINC001322869980 1387250029 /nfs/dbraw/zinc/25/00/29/1387250029.db2.gz SOZXWJFCYOAYNG-SFHVURJKSA-N 1 0 345.531 3.032 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001336290622 1389060944 /nfs/dbraw/zinc/06/09/44/1389060944.db2.gz QQUYKUGEMYIIQT-SJLPKXTDSA-N 1 0 344.503 3.065 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC(=O)NCCc1ccccc1 ZINC001337798310 1389446881 /nfs/dbraw/zinc/44/68/81/1389446881.db2.gz GDKMIPYABXZNDN-NVXWUHKLSA-N 1 0 338.451 3.197 20 10 EGCDRO Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001334158463 1390491440 /nfs/dbraw/zinc/49/14/40/1390491440.db2.gz YHYQGSAYTOMYTP-UHFFFAOYSA-N 1 0 343.446 3.028 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cc1 ZINC001341835954 1390535272 /nfs/dbraw/zinc/53/52/72/1390535272.db2.gz DFXYPFLLSMLRIJ-SJORKVTESA-N 1 0 331.504 3.442 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC001342390445 1390608006 /nfs/dbraw/zinc/60/80/06/1390608006.db2.gz PSXQZFWBKVTWTN-OAHLLOKOSA-N 1 0 343.446 3.134 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001353255134 1391975651 /nfs/dbraw/zinc/97/56/51/1391975651.db2.gz REMPKRWSNLXTEX-LJQANCHMSA-N 1 0 340.471 3.151 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@@H]3C)CCCC2)cc1C ZINC001482208843 1394802847 /nfs/dbraw/zinc/80/28/47/1394802847.db2.gz QLTYTRJJQSSZNY-YOEHRIQHSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(C2CC2)C2CC2)cc1C ZINC001753719485 1440472655 /nfs/dbraw/zinc/47/26/55/1440472655.db2.gz GMVJUBUHVIBLGJ-HNNXBMFYSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccco2)C(C)C)cc1C ZINC001753822561 1440496900 /nfs/dbraw/zinc/49/69/00/1440496900.db2.gz MERHMGTXDOTHCR-MRXNPFEDSA-N 1 0 330.428 3.141 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2=CCCCCC2)cc1C ZINC001754222436 1440552767 /nfs/dbraw/zinc/55/27/67/1440552767.db2.gz ADHAHEBLPPIWJX-MRXNPFEDSA-N 1 0 330.472 3.488 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCC(C)(F)F)cc1C ZINC001754273411 1440561839 /nfs/dbraw/zinc/56/18/39/1440561839.db2.gz QGGRYHAHBGPJPO-ZDUSSCGKSA-N 1 0 328.403 3.033 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cccs2)C2CC2)cc1C ZINC001754436906 1440598344 /nfs/dbraw/zinc/59/83/44/1440598344.db2.gz SVMWFIQSILOAFN-MRXNPFEDSA-N 1 0 344.480 3.363 20 10 EGCDRO O=C(/C=C\c1cncs1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000493542543 311392536 /nfs/dbraw/zinc/39/25/36/311392536.db2.gz GALBAEJHFMLXRR-ZPIQOJFGSA-N 1 0 325.437 3.168 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000183177986 455244565 /nfs/dbraw/zinc/24/45/65/455244565.db2.gz RBWLEMJYWUZJTM-UHFFFAOYSA-N 1 0 345.349 3.443 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1O ZINC000183378672 455285415 /nfs/dbraw/zinc/28/54/15/455285415.db2.gz PQQIXLZHHUOQTN-HOCLYGCPSA-N 1 0 332.469 3.178 20 10 EGCDRO O=C(c1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000014310883 453529540 /nfs/dbraw/zinc/52/95/40/453529540.db2.gz YRZRRITXIPNYRL-UHFFFAOYSA-N 1 0 339.391 3.216 20 10 EGCDRO C[C@H](Sc1nccs1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000052914443 453849385 /nfs/dbraw/zinc/84/93/85/453849385.db2.gz IBNGNRUWDZGHHR-DZGCQCFKSA-N 1 0 347.509 3.014 20 10 EGCDRO CCC[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccccc1O ZINC000068973570 454069883 /nfs/dbraw/zinc/06/98/83/454069883.db2.gz STKJIBQKUGMVLS-UHFFFAOYSA-N 1 0 347.480 3.468 20 10 EGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000089725999 454184205 /nfs/dbraw/zinc/18/42/05/454184205.db2.gz BFUUANHUSWCRIB-ZDUSSCGKSA-N 1 0 349.452 3.045 20 10 EGCDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976215 454190679 /nfs/dbraw/zinc/19/06/79/454190679.db2.gz CCMNPSLCSOKHSI-KRWDZBQOSA-N 1 0 342.395 3.482 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000119836433 454225743 /nfs/dbraw/zinc/22/57/43/454225743.db2.gz SOCCZBJFWBYGPA-QGZVFWFLSA-N 1 0 339.483 3.440 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000078486108 454261502 /nfs/dbraw/zinc/26/15/02/454261502.db2.gz OKYZKQQICVXBTG-HXUWFJFHSA-N 1 0 337.467 3.206 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000090181564 454291060 /nfs/dbraw/zinc/29/10/60/454291060.db2.gz SYPXNRMSQJQYBC-RDJZCZTQSA-N 1 0 327.472 3.091 20 10 EGCDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000160170579 455434214 /nfs/dbraw/zinc/43/42/14/455434214.db2.gz IPJOTASZBVHOKB-OAHLLOKOSA-N 1 0 325.456 3.353 20 10 EGCDRO COc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1O ZINC000160183122 455435446 /nfs/dbraw/zinc/43/54/46/455435446.db2.gz PHALWXDIMWXUKB-KRWDZBQOSA-N 1 0 343.423 3.288 20 10 EGCDRO C[C@H]1OCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000120868429 454358759 /nfs/dbraw/zinc/35/87/59/454358759.db2.gz BNEHPWZTSNYBKJ-WBMJQRKESA-N 1 0 326.387 3.024 20 10 EGCDRO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000121421155 454432646 /nfs/dbraw/zinc/43/26/46/454432646.db2.gz QIMNMALHMQPAIH-WOSRLPQWSA-N 1 0 326.387 3.024 20 10 EGCDRO C[N@H+](CCNC(=O)N(Cc1ccccc1O)C1CCCCC1)C1CC1 ZINC000074200627 454544429 /nfs/dbraw/zinc/54/44/29/454544429.db2.gz GZTUGGZFIVAJQM-UHFFFAOYSA-N 1 0 345.487 3.331 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000105485888 454641108 /nfs/dbraw/zinc/64/11/08/454641108.db2.gz PEYLTWKUCOJSTC-SFHVURJKSA-N 1 0 346.858 3.209 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1F ZINC000093087896 454680723 /nfs/dbraw/zinc/68/07/23/454680723.db2.gz QCPDLYDGVSKCAB-UHFFFAOYSA-N 1 0 347.478 3.259 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1cc(Br)ccc1O)c1cccs1 ZINC000153016311 454752782 /nfs/dbraw/zinc/75/27/82/454752782.db2.gz GMFIRACEKHSDMU-AWEZNQCLSA-N 1 0 342.258 3.214 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153794291 454833964 /nfs/dbraw/zinc/83/39/64/454833964.db2.gz TUHUGFANEJBYOB-FOIQADDNSA-N 1 0 344.430 3.047 20 10 EGCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000177611753 454883574 /nfs/dbraw/zinc/88/35/74/454883574.db2.gz IPJBWOGPZGOMAZ-KRWDZBQOSA-N 1 0 329.488 3.023 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cncc(F)c1 ZINC000165191871 454896079 /nfs/dbraw/zinc/89/60/79/454896079.db2.gz UPBDMOKVZFGOFJ-ZDUSSCGKSA-N 1 0 333.382 3.047 20 10 EGCDRO COCCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185012286 455485975 /nfs/dbraw/zinc/48/59/75/455485975.db2.gz ARMFLHXPHLIJAT-CQSZACIVSA-N 1 0 331.412 3.277 20 10 EGCDRO C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]([NH3+])c1ccccc1 ZINC000166475113 454913078 /nfs/dbraw/zinc/91/30/78/454913078.db2.gz JZSURTAPMDFROE-YWZLYKJASA-N 1 0 337.467 3.021 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000177872851 454914455 /nfs/dbraw/zinc/91/44/55/454914455.db2.gz ANDHUEZXAHWKEH-RHSMWYFYSA-N 1 0 333.451 3.135 20 10 EGCDRO O=C(c1ccco1)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113319310 454922016 /nfs/dbraw/zinc/92/20/16/454922016.db2.gz XOJKQMPSPBJFJV-UHFFFAOYSA-N 1 0 334.803 3.033 20 10 EGCDRO CCn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000113359165 454924436 /nfs/dbraw/zinc/92/44/36/454924436.db2.gz CIMBOHUTKWHPNK-QGZVFWFLSA-N 1 0 348.878 3.016 20 10 EGCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178368635 454952654 /nfs/dbraw/zinc/95/26/54/454952654.db2.gz KDONGSMRQNRMQI-HNAYVOBHSA-N 1 0 338.467 3.254 20 10 EGCDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185116504 455504496 /nfs/dbraw/zinc/50/44/96/455504496.db2.gz PKHNSMGJBZPJQT-LLVKDONJSA-N 1 0 347.286 3.196 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cncs1 ZINC000151571254 455003353 /nfs/dbraw/zinc/00/33/53/455003353.db2.gz CQSQKCLDYFIIKT-CQSZACIVSA-N 1 0 331.485 3.203 20 10 EGCDRO COc1ccc(OC)c2c1CN(Cc1cccc(Cl)c1[O-])C[C@H]2O ZINC000179614101 455061811 /nfs/dbraw/zinc/06/18/11/455061811.db2.gz SNGIZVYTBIUXBD-CQSZACIVSA-N 1 0 349.814 3.112 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000179678388 455066200 /nfs/dbraw/zinc/06/62/00/455066200.db2.gz PLYGXTRAMHKABG-LBPRGKRZSA-N 1 0 340.261 3.464 20 10 EGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000182860977 455178815 /nfs/dbraw/zinc/17/88/15/455178815.db2.gz OGZMAOWQFGEFFM-UHFFFAOYSA-N 1 0 327.424 3.174 20 10 EGCDRO COc1cccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)c1O ZINC000237377270 455179024 /nfs/dbraw/zinc/17/90/24/455179024.db2.gz OVJZVBUINPIJCV-MRXNPFEDSA-N 1 0 330.428 3.229 20 10 EGCDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000157666247 455218123 /nfs/dbraw/zinc/21/81/23/455218123.db2.gz OCZXBHZGDCVFHT-UHFFFAOYSA-N 1 0 325.456 3.274 20 10 EGCDRO COc1cc(N2CC[NH+](Cc3cccs3)CC2)cc(OC)c1OC ZINC000184753289 455442407 /nfs/dbraw/zinc/44/24/07/455442407.db2.gz RXSBZHPQOLVLAI-UHFFFAOYSA-N 1 0 348.468 3.096 20 10 EGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)C12CCC2 ZINC000160428848 455457936 /nfs/dbraw/zinc/45/79/36/455457936.db2.gz OYJWXXVVQWUQEB-ZWKOTPCHSA-N 1 0 335.444 3.189 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc1OC ZINC000160435284 455458050 /nfs/dbraw/zinc/45/80/50/455458050.db2.gz HXYQDAQYRNPFPM-MRXNPFEDSA-N 1 0 328.412 3.450 20 10 EGCDRO COCCN1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185144944 455510222 /nfs/dbraw/zinc/51/02/22/455510222.db2.gz KPCSOKPDEUYVSY-HNNXBMFYSA-N 1 0 328.456 3.307 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000185166905 455514859 /nfs/dbraw/zinc/51/48/59/455514859.db2.gz MWJMUHQDXVJNGC-OAHLLOKOSA-N 1 0 333.453 3.215 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)NCc1ccccc1 ZINC000185183844 455517638 /nfs/dbraw/zinc/51/76/38/455517638.db2.gz BUROTOIIUZELCV-QWHCGFSZSA-N 1 0 332.831 3.401 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000185464304 455560604 /nfs/dbraw/zinc/56/06/04/455560604.db2.gz OESZLNBSLCVYIV-UKRRQHHQSA-N 1 0 340.423 3.136 20 10 EGCDRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(Br)ccc1O ZINC000185474532 455563125 /nfs/dbraw/zinc/56/31/25/455563125.db2.gz GTBFCULTKMNTHH-DGIBIBHMSA-N 1 0 348.306 3.353 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000283823234 455599274 /nfs/dbraw/zinc/59/92/74/455599274.db2.gz DEOINPJATDNFPC-LJQANCHMSA-N 1 0 345.462 3.293 20 10 EGCDRO COc1ccc(N(C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C2CC2)cc1 ZINC000283966276 455616246 /nfs/dbraw/zinc/61/62/46/455616246.db2.gz FCHOORBUOAEHKV-HUUCEWRRSA-N 1 0 337.485 3.125 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)n(C)n1 ZINC000283997043 455622037 /nfs/dbraw/zinc/62/20/37/455622037.db2.gz PCGMWZPGKZMDTL-UHFFFAOYSA-N 1 0 326.366 3.103 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284233975 455655600 /nfs/dbraw/zinc/65/56/00/455655600.db2.gz UTNOIEWKMQNMAK-NSHDSACASA-N 1 0 332.379 3.233 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c(O)c1 ZINC000186022752 455677685 /nfs/dbraw/zinc/67/76/85/455677685.db2.gz VMBBLBCDEJLPCV-XJKSGUPXSA-N 1 0 328.387 3.296 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000192849407 455705412 /nfs/dbraw/zinc/70/54/12/455705412.db2.gz NZGGZFAJHHEQGC-NEPJUHHUSA-N 1 0 329.400 3.303 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000186191292 455712686 /nfs/dbraw/zinc/71/26/86/455712686.db2.gz JIKZDVXRFJYTHM-GOEBONIOSA-N 1 0 342.414 3.231 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000268768446 455712844 /nfs/dbraw/zinc/71/28/44/455712844.db2.gz RNBAJDXJWFAMOV-FOIQADDNSA-N 1 0 344.430 3.047 20 10 EGCDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000268780004 455712914 /nfs/dbraw/zinc/71/29/14/455712914.db2.gz PHLCIACQUBSKJO-STQMWFEESA-N 1 0 346.393 3.055 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1 ZINC000268871170 455716954 /nfs/dbraw/zinc/71/69/54/455716954.db2.gz GFRNPUBDMIRGOA-JQHSSLGASA-N 1 0 331.504 3.440 20 10 EGCDRO COCCC[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268900311 455723313 /nfs/dbraw/zinc/72/33/13/455723313.db2.gz WLSRYAZMVZBKHV-OAGGEKHMSA-N 1 0 338.467 3.344 20 10 EGCDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000268972674 455750098 /nfs/dbraw/zinc/75/00/98/455750098.db2.gz ZJHJCXOSRWQZIL-MJBXVCDLSA-N 1 0 328.403 3.270 20 10 EGCDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000293013005 455771659 /nfs/dbraw/zinc/77/16/59/455771659.db2.gz ODQZEBUOYCGXOY-HXUWFJFHSA-N 1 0 337.467 3.383 20 10 EGCDRO Oc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1Cl ZINC000293545724 455790297 /nfs/dbraw/zinc/79/02/97/455790297.db2.gz KPNUPCMFUHELTM-UHFFFAOYSA-N 1 0 332.831 3.172 20 10 EGCDRO COCC[C@@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293600906 455792681 /nfs/dbraw/zinc/79/26/81/455792681.db2.gz GAUMSKWCUIIYAI-PZJWPPBQSA-N 1 0 343.467 3.443 20 10 EGCDRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000269136791 455797511 /nfs/dbraw/zinc/79/75/11/455797511.db2.gz KDRRBOHXYMRBJD-UHFFFAOYSA-N 1 0 342.439 3.043 20 10 EGCDRO COc1ccncc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000294398277 455814870 /nfs/dbraw/zinc/81/48/70/455814870.db2.gz SIRNMYTXIUOISR-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000294896094 455831512 /nfs/dbraw/zinc/83/15/12/455831512.db2.gz GRQADZASHLIJEH-HXUWFJFHSA-N 1 0 345.531 3.218 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)c(OC)c1OC ZINC000295809472 455860737 /nfs/dbraw/zinc/86/07/37/455860737.db2.gz CPISFHJNUNGMIF-AWEZNQCLSA-N 1 0 329.396 3.195 20 10 EGCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC000279577402 455868240 /nfs/dbraw/zinc/86/82/40/455868240.db2.gz BCBBYDRFULEIOA-XLIONFOSSA-N 1 0 330.472 3.057 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000279914304 455876942 /nfs/dbraw/zinc/87/69/42/455876942.db2.gz SKQBLDWMMBLJFJ-VDZJLULYSA-N 1 0 330.472 3.354 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(C)cc1O ZINC000279988606 455880649 /nfs/dbraw/zinc/88/06/49/455880649.db2.gz FDJSWDUJUCOZAC-SFHVURJKSA-N 1 0 326.440 3.100 20 10 EGCDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000296576766 455977833 /nfs/dbraw/zinc/97/78/33/455977833.db2.gz VPXJDVPSWFBMJV-ROUUACIJSA-N 1 0 336.435 3.079 20 10 EGCDRO CNC(=O)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296573856 455978033 /nfs/dbraw/zinc/97/80/33/455978033.db2.gz WEBLAUWHWZHLKA-UHFFFAOYSA-N 1 0 331.485 3.000 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000296730326 456022339 /nfs/dbraw/zinc/02/23/39/456022339.db2.gz INVWKLRMZFIGOI-UHFFFAOYSA-N 1 0 344.499 3.447 20 10 EGCDRO Cc1ccc([C@@H]([NH2+]Cc2cc(C)ccc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280677138 456028707 /nfs/dbraw/zinc/02/87/07/456028707.db2.gz MUBXRDSTZKOKHT-KXBFYZLASA-N 1 0 347.480 3.273 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1 ZINC000296820830 456045587 /nfs/dbraw/zinc/04/55/87/456045587.db2.gz NIIGAFHSZOQCQM-LJQANCHMSA-N 1 0 346.496 3.016 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000287381937 456067912 /nfs/dbraw/zinc/06/79/12/456067912.db2.gz PNBVALBZIWMOIF-JKSUJKDBSA-N 1 0 342.439 3.362 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCNc3cccc(C)n3)CC2)cc1 ZINC000301269425 456077191 /nfs/dbraw/zinc/07/71/91/456077191.db2.gz JEXLSRWXZIEMGR-UHFFFAOYSA-N 1 0 340.471 3.023 20 10 EGCDRO COc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c(C)c1OC ZINC000288525702 456098323 /nfs/dbraw/zinc/09/83/23/456098323.db2.gz VEMCYUGEVNEUJX-LBPRGKRZSA-N 1 0 345.395 3.297 20 10 EGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000288677427 456102913 /nfs/dbraw/zinc/10/29/13/456102913.db2.gz CNEREMKVGIVVAZ-QGZVFWFLSA-N 1 0 325.836 3.233 20 10 EGCDRO COc1cccc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)c1O ZINC000289193616 456117208 /nfs/dbraw/zinc/11/72/08/456117208.db2.gz AYYVMFBTSNLALW-UHFFFAOYSA-N 1 0 334.460 3.014 20 10 EGCDRO CSC1(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000289226252 456119034 /nfs/dbraw/zinc/11/90/34/456119034.db2.gz JSRUVFSNTOEORT-ZIAGYGMSSA-N 1 0 338.492 3.425 20 10 EGCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Br)ccc3O)CC[C@H]21 ZINC000228183520 456121604 /nfs/dbraw/zinc/12/16/04/456121604.db2.gz TUYPNQAMPWNAKI-SWLSCSKDSA-N 1 0 339.277 3.071 20 10 EGCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000271184463 456159821 /nfs/dbraw/zinc/15/98/21/456159821.db2.gz MSUQICIYDGIWCN-IBGZPJMESA-N 1 0 342.483 3.452 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000271200419 456167970 /nfs/dbraw/zinc/16/79/70/456167970.db2.gz WFVVFGIAERJRLT-UHFFFAOYSA-N 1 0 338.451 3.437 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236732627 456176326 /nfs/dbraw/zinc/17/63/26/456176326.db2.gz ZJLTXCRDTDHIPL-KXBFYZLASA-N 1 0 326.440 3.467 20 10 EGCDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000236799682 456185847 /nfs/dbraw/zinc/18/58/47/456185847.db2.gz CGXMQMPZVXSNTQ-UHFFFAOYSA-N 1 0 342.439 3.221 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236878310 456196072 /nfs/dbraw/zinc/19/60/72/456196072.db2.gz CARFPIYMCFMGTJ-LJQANCHMSA-N 1 0 325.456 3.011 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCOCC(F)F ZINC000189006313 456196658 /nfs/dbraw/zinc/19/66/58/456196658.db2.gz IIWZMCSCRJDSMY-UHFFFAOYSA-N 1 0 337.366 3.343 20 10 EGCDRO COc1cccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1O ZINC000263718180 456201446 /nfs/dbraw/zinc/20/14/46/456201446.db2.gz VYCGRQFDYOSWTG-UHFFFAOYSA-N 1 0 349.434 3.365 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000236955702 456208696 /nfs/dbraw/zinc/20/86/96/456208696.db2.gz TTXSGQLOEZODSF-LBPRGKRZSA-N 1 0 329.400 3.132 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1cc(Cl)ccc1O ZINC000273344672 456223878 /nfs/dbraw/zinc/22/38/78/456223878.db2.gz AIJFARAYGXGQDY-QITLCBANSA-N 1 0 335.831 3.181 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000273393972 456226537 /nfs/dbraw/zinc/22/65/37/456226537.db2.gz LMYJJOZQNZRCGR-MRXNPFEDSA-N 1 0 326.440 3.388 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c(O)c1C ZINC000273447861 456231947 /nfs/dbraw/zinc/23/19/47/456231947.db2.gz FNQMBDMBJPZNPJ-WDYCEAGBSA-N 1 0 329.440 3.144 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)c1 ZINC000273620687 456241608 /nfs/dbraw/zinc/24/16/08/456241608.db2.gz YZGNVZOLSZGDCF-OAHLLOKOSA-N 1 0 337.423 3.480 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1CC[NH2+]CC1 ZINC000237217049 456248114 /nfs/dbraw/zinc/24/81/14/456248114.db2.gz ZNAJDZPBISHBET-UHFFFAOYSA-N 1 0 329.488 3.025 20 10 EGCDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1ccccc1O ZINC000297577428 456257264 /nfs/dbraw/zinc/25/72/64/456257264.db2.gz LSLYNVKZDHSIFZ-KRWDZBQOSA-N 1 0 333.476 3.044 20 10 EGCDRO COc1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1C ZINC000275647848 456277829 /nfs/dbraw/zinc/27/78/29/456277829.db2.gz VVPRCQQZFAAKHA-UHFFFAOYSA-N 1 0 330.394 3.368 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000281745178 456308307 /nfs/dbraw/zinc/30/83/07/456308307.db2.gz VSPUSZIEGQYYFK-CVEARBPZSA-N 1 0 347.478 3.478 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000282178842 456434864 /nfs/dbraw/zinc/43/48/64/456434864.db2.gz FMZHHDJCJBLIAX-FZMZJTMJSA-N 1 0 328.250 3.462 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c[nH]c3nccnc23)cc1F ZINC000290985950 456487402 /nfs/dbraw/zinc/48/74/02/456487402.db2.gz ZBTKRPUPWZABPC-UHFFFAOYSA-N 1 0 327.407 3.233 20 10 EGCDRO COc1cccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1O ZINC000291006863 456494552 /nfs/dbraw/zinc/49/45/52/456494552.db2.gz DGCJZAMJFKUNAP-CQSZACIVSA-N 1 0 330.403 3.156 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc(F)ccc1O ZINC000282436889 456513137 /nfs/dbraw/zinc/51/31/37/456513137.db2.gz MSZPLCAWASDJCS-CJNGLKHVSA-N 1 0 343.402 3.488 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC23CCOCC3)c1O ZINC000282865932 456649661 /nfs/dbraw/zinc/64/96/61/456649661.db2.gz XPKFHCSZUMNRCW-OAHLLOKOSA-N 1 0 325.836 3.493 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1CN1CCn2cncc2C1 ZINC000291528587 456669831 /nfs/dbraw/zinc/66/98/31/456669831.db2.gz JXFKYERETNIVBU-UHFFFAOYSA-N 1 0 335.407 3.184 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c1O ZINC000365503319 457762942 /nfs/dbraw/zinc/76/29/42/457762942.db2.gz DXCWNYRSJSPESO-INIZCTEOSA-N 1 0 326.440 3.407 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)ccc1OC ZINC000366561073 457853087 /nfs/dbraw/zinc/85/30/87/457853087.db2.gz YODUUEVHFROCSU-OAQYLSRUSA-N 1 0 341.451 3.155 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC2(CCOCC2)O1 ZINC000366731677 457892770 /nfs/dbraw/zinc/89/27/70/457892770.db2.gz USJVDBYZDFCDNF-SFHVURJKSA-N 1 0 344.499 3.447 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000366746722 457894256 /nfs/dbraw/zinc/89/42/56/457894256.db2.gz RHRNAYZOUUXWQH-CJNGLKHVSA-N 1 0 340.920 3.353 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC=C(c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000367689398 457970114 /nfs/dbraw/zinc/97/01/14/457970114.db2.gz UZHTUWZHWYYILU-UHFFFAOYSA-N 1 0 330.340 3.191 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCCN3C3CC3)CC2)cc1 ZINC000376470345 458310932 /nfs/dbraw/zinc/31/09/32/458310932.db2.gz BPFYNGZOPZJRRG-HXUWFJFHSA-N 1 0 343.515 3.271 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Br)ccc1O ZINC000037155643 522911053 /nfs/dbraw/zinc/91/10/53/522911053.db2.gz ULNWIIZCYUAQFL-SMDDNHRTSA-N 1 0 338.249 3.481 20 10 EGCDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000727229654 574655111 /nfs/dbraw/zinc/65/51/11/574655111.db2.gz PIPAPKNNCFCHRY-INIZCTEOSA-N 1 0 346.519 3.157 20 10 EGCDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000738099549 574752344 /nfs/dbraw/zinc/75/23/44/574752344.db2.gz PFDMOVYDUYEXIC-KRWDZBQOSA-N 1 0 325.456 3.391 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000729304916 574836653 /nfs/dbraw/zinc/83/66/53/574836653.db2.gz COORNZVHJLSBEK-IBGZPJMESA-N 1 0 331.504 3.366 20 10 EGCDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)Nc1cccc2cccnc21 ZINC000733327534 575328240 /nfs/dbraw/zinc/32/82/40/575328240.db2.gz UPVBJLIPSPRRHG-UHFFFAOYSA-N 1 0 341.798 3.322 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000733330928 575328648 /nfs/dbraw/zinc/32/86/48/575328648.db2.gz SPHAONDFNSXDNR-OAQYLSRUSA-N 1 0 343.515 3.020 20 10 EGCDRO C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)CN1CCOCC1 ZINC000738438807 576326193 /nfs/dbraw/zinc/32/61/93/576326193.db2.gz FSYBJXXDVOLCBH-KRWDZBQOSA-N 1 0 340.467 3.117 20 10 EGCDRO O=C(/C=C\c1cncc(F)c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000739649354 576438599 /nfs/dbraw/zinc/43/85/99/576438599.db2.gz MJPQLYKJGCQEBW-HJWRWDBZSA-N 1 0 339.414 3.363 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@H]3C3OCCO3)c2c1 ZINC000740759083 576624171 /nfs/dbraw/zinc/62/41/71/576624171.db2.gz ROSNVUYALFUIQN-SFHVURJKSA-N 1 0 343.423 3.281 20 10 EGCDRO c1sc(CC[NH2+]Cc2ccc3c(c2)CCO3)nc1-c1ccncc1 ZINC000741159482 576662155 /nfs/dbraw/zinc/66/21/55/576662155.db2.gz IKUZPDBXTYGPNY-UHFFFAOYSA-N 1 0 337.448 3.472 20 10 EGCDRO COC(=O)c1ccc(OCC[N@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC000744401659 576827262 /nfs/dbraw/zinc/82/72/62/576827262.db2.gz GICSKTLNWCOFEV-UHFFFAOYSA-N 1 0 349.814 3.343 20 10 EGCDRO CC(C)[NH+](CCNC(=O)NCc1c(O)ccc2c1CCCC2)C(C)C ZINC000745267410 576844755 /nfs/dbraw/zinc/84/47/55/576844755.db2.gz PLEDNMRYYUAYNK-UHFFFAOYSA-N 1 0 347.503 3.189 20 10 EGCDRO CCCOc1ccc(C[NH2+]CCS(=O)(=O)C(C)(C)C)cc1C ZINC000873049236 1297246971 /nfs/dbraw/zinc/24/69/71/1297246971.db2.gz CSUYNXGLHIBOJY-UHFFFAOYSA-N 1 0 327.490 3.087 20 10 EGCDRO Cc1ncsc1CC[NH2+]Cc1ccc(Br)cc1O ZINC000701163652 1298184841 /nfs/dbraw/zinc/18/48/41/1298184841.db2.gz MECAWDPRSWHKQX-UHFFFAOYSA-N 1 0 327.247 3.252 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794802068 1309598706 /nfs/dbraw/zinc/59/87/06/1309598706.db2.gz MDOAYKBXONPVMH-KRWDZBQOSA-N 1 0 330.403 3.310 20 10 EGCDRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386856 1291173206 /nfs/dbraw/zinc/17/32/06/1291173206.db2.gz MRYWSTLEMZMAOJ-MRXNPFEDSA-N 1 0 331.504 3.412 20 10 EGCDRO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(C)n1-c1ccccn1 ZINC000027768878 1291295288 /nfs/dbraw/zinc/29/52/88/1291295288.db2.gz RXRYVMBPIFUDEC-HNNXBMFYSA-N 1 0 340.471 3.093 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]CCc2ccccc2)c1O ZINC000032131244 1291376424 /nfs/dbraw/zinc/37/64/24/1291376424.db2.gz PNLIAOXSHYIJHF-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO CCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000048795384 1291618703 /nfs/dbraw/zinc/61/87/03/1291618703.db2.gz BZIQUHOXAWDJAC-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO Cc1cc(C[NH+]2CCN(c3cnccn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000055356770 1291779741 /nfs/dbraw/zinc/77/97/41/1291779741.db2.gz ORROCUMUERYBHI-UHFFFAOYSA-N 1 0 340.471 3.110 20 10 EGCDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000066704580 1292127760 /nfs/dbraw/zinc/12/77/60/1292127760.db2.gz IKLDQEKUPUIPIZ-QGZVFWFLSA-N 1 0 333.476 3.188 20 10 EGCDRO C[N@H+](CCCOc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000072953290 1292300056 /nfs/dbraw/zinc/30/00/56/1292300056.db2.gz DCOMTCUANDBARJ-UHFFFAOYSA-N 1 0 340.467 3.424 20 10 EGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CS1 ZINC000827662812 1292354139 /nfs/dbraw/zinc/35/41/39/1292354139.db2.gz VNTRDCXFQZGNHJ-VQIMIIECSA-N 1 0 334.529 3.267 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@]1(C)CO ZINC000827699615 1292358494 /nfs/dbraw/zinc/35/84/94/1292358494.db2.gz JQVMVKXNMXLOLI-KKSFZXQISA-N 1 0 341.451 3.422 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)cc1F ZINC000827741153 1292363699 /nfs/dbraw/zinc/36/36/99/1292363699.db2.gz NDHWKIXFNULNEQ-UHFFFAOYSA-N 1 0 349.450 3.089 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000827838851 1292384688 /nfs/dbraw/zinc/38/46/88/1292384688.db2.gz NSDRNHNGOSSLFF-KRWDZBQOSA-N 1 0 338.373 3.302 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C3CCCCC3)C(=O)O2)c1 ZINC000828155494 1292437170 /nfs/dbraw/zinc/43/71/70/1292437170.db2.gz OCPZRIPLURSDFH-XJKSGUPXSA-N 1 0 348.443 3.205 20 10 EGCDRO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000828533521 1292471223 /nfs/dbraw/zinc/47/12/23/1292471223.db2.gz BAXYIQLLKXZYBT-HXUWFJFHSA-N 1 0 332.488 3.303 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(C)c1)[C@H]1CCCO1 ZINC000829326771 1292561900 /nfs/dbraw/zinc/56/19/00/1292561900.db2.gz CVUCZOHNOTXDOY-AZUAARDMSA-N 1 0 332.488 3.269 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](OC)[C@@H](C)C3)cc2)CC1 ZINC000831534847 1292879871 /nfs/dbraw/zinc/87/98/71/1292879871.db2.gz SCMPRVDWPWLMPV-OXJNMPFZSA-N 1 0 332.488 3.159 20 10 EGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000093605245 1292926626 /nfs/dbraw/zinc/92/66/26/1292926626.db2.gz QCQYPAWGPYOPNJ-RTBURBONSA-N 1 0 332.488 3.159 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000832267357 1292979485 /nfs/dbraw/zinc/97/94/85/1292979485.db2.gz QXEAGXOOBOBASN-IAGOWNOFSA-N 1 0 343.496 3.050 20 10 EGCDRO C[C@@H](CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832267373 1292979855 /nfs/dbraw/zinc/97/98/55/1292979855.db2.gz REKPRELSVCDLAA-JXFKEZNVSA-N 1 0 339.483 3.453 20 10 EGCDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000832273305 1292979987 /nfs/dbraw/zinc/97/99/87/1292979987.db2.gz NFFZQKDMGZMYFF-AUUYWEPGSA-N 1 0 343.446 3.202 20 10 EGCDRO CCc1sc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000832284372 1292982452 /nfs/dbraw/zinc/98/24/52/1292982452.db2.gz JSXUVHZITPPOPL-OAHLLOKOSA-N 1 0 331.485 3.115 20 10 EGCDRO CC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832293287 1292983552 /nfs/dbraw/zinc/98/35/52/1292983552.db2.gz UCIHGLSOYDFJDV-OALUTQOASA-N 1 0 325.456 3.062 20 10 EGCDRO Cc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c(C)n1-c1ccccn1 ZINC000105318614 1293032011 /nfs/dbraw/zinc/03/20/11/1293032011.db2.gz XBMKZJLVLHOLJT-KRWDZBQOSA-N 1 0 342.487 3.195 20 10 EGCDRO COc1ccc(-n2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)n2)cc1 ZINC000834566377 1293117518 /nfs/dbraw/zinc/11/75/18/1293117518.db2.gz LTMPYGSSFLVJRW-SFHVURJKSA-N 1 0 335.407 3.364 20 10 EGCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000834747758 1293142156 /nfs/dbraw/zinc/14/21/56/1293142156.db2.gz XZLNVIVOEUTZOP-IRXDYDNUSA-N 1 0 343.446 3.175 20 10 EGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000113317365 1293146293 /nfs/dbraw/zinc/14/62/93/1293146293.db2.gz RIBUXVBPDUDULD-SFHVURJKSA-N 1 0 346.858 3.209 20 10 EGCDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834880731 1293162816 /nfs/dbraw/zinc/16/28/16/1293162816.db2.gz DEHIHXRNZSIDHA-YVWKXTFCSA-N 1 0 332.488 3.379 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1F ZINC000114509295 1293166587 /nfs/dbraw/zinc/16/65/87/1293166587.db2.gz MALLWMQZEOMOIA-SFHVURJKSA-N 1 0 338.373 3.167 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccc(C)cc1O ZINC000834896241 1293167607 /nfs/dbraw/zinc/16/76/07/1293167607.db2.gz IDNXJJXRDBGSPG-LPHOPBHVSA-N 1 0 340.467 3.489 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c2c1c(F)ccc2O ZINC000834910281 1293174099 /nfs/dbraw/zinc/17/40/99/1293174099.db2.gz CSDAVZZBGVBEOB-HLSYRSCKSA-N 1 0 345.418 3.323 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)CC2 ZINC000834911959 1293175078 /nfs/dbraw/zinc/17/50/78/1293175078.db2.gz VEDOZIUJTLYBEC-GOEBONIOSA-N 1 0 348.240 3.465 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1cc(Cl)ccc1O ZINC000834914433 1293176183 /nfs/dbraw/zinc/17/61/83/1293176183.db2.gz USQHGHBSQXCICO-RBOXIYTFSA-N 1 0 335.835 3.350 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000115629560 1293192424 /nfs/dbraw/zinc/19/24/24/1293192424.db2.gz YQLCHYZXWUOBBG-UHFFFAOYSA-N 1 0 339.483 3.187 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000115629546 1293192545 /nfs/dbraw/zinc/19/25/45/1293192545.db2.gz PMSKKOSRARVECS-UHFFFAOYSA-N 1 0 329.400 3.268 20 10 EGCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000835069189 1293198628 /nfs/dbraw/zinc/19/86/28/1293198628.db2.gz KWTYLHAEHVCFKD-GOEBONIOSA-N 1 0 334.460 3.375 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000835069193 1293198856 /nfs/dbraw/zinc/19/88/56/1293198856.db2.gz KWTYLHAEHVCFKD-ZBFHGGJFSA-N 1 0 334.460 3.375 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000119493215 1293272982 /nfs/dbraw/zinc/27/29/82/1293272982.db2.gz SYZWSDYKMPULDE-GJZGRUSLSA-N 1 0 338.423 3.457 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000120914456 1293346211 /nfs/dbraw/zinc/34/62/11/1293346211.db2.gz GGXBOHUIWNSFQT-MRXNPFEDSA-N 1 0 325.456 3.142 20 10 EGCDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000129078573 1293613375 /nfs/dbraw/zinc/61/33/75/1293613375.db2.gz WSXSMGYLIKWRPA-INIZCTEOSA-N 1 0 345.443 3.210 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000130302429 1293651878 /nfs/dbraw/zinc/65/18/78/1293651878.db2.gz UVJIVAOATAXMNK-UHFFFAOYSA-N 1 0 347.846 3.162 20 10 EGCDRO COc1cccc(CN(C)CC(=O)Nc2cccc(Cl)c2)c1O ZINC000134033892 1293760739 /nfs/dbraw/zinc/76/07/39/1293760739.db2.gz BTHGLMZJPLKZAW-UHFFFAOYSA-N 1 0 334.803 3.125 20 10 EGCDRO COc1ccc(O)c(C[NH2+]CCc2cccc(Br)c2)c1 ZINC000136427382 1293816035 /nfs/dbraw/zinc/81/60/35/1293816035.db2.gz QPBIOROIEDQFSJ-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151126825 1293909093 /nfs/dbraw/zinc/90/90/93/1293909093.db2.gz DLOCMAJDSOKRPM-KGLIPLIRSA-N 1 0 326.481 3.455 20 10 EGCDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000153961540 1294036561 /nfs/dbraw/zinc/03/65/61/1294036561.db2.gz WJNOKKYSAXFNDZ-GOSISDBHSA-N 1 0 345.487 3.387 20 10 EGCDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000156738633 1294157368 /nfs/dbraw/zinc/15/73/68/1294157368.db2.gz RHTSAWQKKPJMOU-SJORKVTESA-N 1 0 349.494 3.187 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2C)cc1 ZINC000160921098 1294280618 /nfs/dbraw/zinc/28/06/18/1294280618.db2.gz KRAPKGUSUABCIG-HOTGVXAUSA-N 1 0 341.455 3.102 20 10 EGCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000173390852 1294460705 /nfs/dbraw/zinc/46/07/05/1294460705.db2.gz HOHCCDHRKYNGNH-MRXNPFEDSA-N 1 0 335.488 3.483 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC3CCC3)cc2F)CC1 ZINC000176536498 1294613243 /nfs/dbraw/zinc/61/32/43/1294613243.db2.gz LYPMUFPHPDEMMW-UHFFFAOYSA-N 1 0 347.478 3.164 20 10 EGCDRO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000179560397 1294803789 /nfs/dbraw/zinc/80/37/89/1294803789.db2.gz ZAODVGQFAUHIMB-UHFFFAOYSA-N 1 0 345.512 3.464 20 10 EGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000180455690 1294891017 /nfs/dbraw/zinc/89/10/17/1294891017.db2.gz QOBPNZXDSXENFR-SNVBAGLBSA-N 1 0 332.331 3.493 20 10 EGCDRO CC(=O)c1cc(F)cc(CN(CCO)Cc2ccc(C)cc2)c1O ZINC000181977993 1295011204 /nfs/dbraw/zinc/01/12/04/1295011204.db2.gz XZOSQNLVMRVHTO-UHFFFAOYSA-N 1 0 331.387 3.037 20 10 EGCDRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182431700 1295047266 /nfs/dbraw/zinc/04/72/66/1295047266.db2.gz NSCWMBOBORCRJA-ZDUSSCGKSA-N 1 0 344.411 3.089 20 10 EGCDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000182896715 1295083687 /nfs/dbraw/zinc/08/36/87/1295083687.db2.gz VPYIGKQWBMUXPS-QGZVFWFLSA-N 1 0 339.483 3.336 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c1 ZINC000183383569 1295115407 /nfs/dbraw/zinc/11/54/07/1295115407.db2.gz SSDBEJZZRMLZRW-UHFFFAOYSA-N 1 0 326.440 3.109 20 10 EGCDRO [NH3+]CC1(CC(=O)NCCCSc2nccs2)CCCCC1 ZINC000184196161 1295177012 /nfs/dbraw/zinc/17/70/12/1295177012.db2.gz HPLDAYZSGALANK-UHFFFAOYSA-N 1 0 327.519 3.041 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(O)cc1C ZINC000184802002 1295220290 /nfs/dbraw/zinc/22/02/90/1295220290.db2.gz DRUURTOMKMLKIP-HXUWFJFHSA-N 1 0 325.408 3.341 20 10 EGCDRO C[C@H]([C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)N1CCOCC1 ZINC000185376132 1295260888 /nfs/dbraw/zinc/26/08/88/1295260888.db2.gz YBXKXJZZBCYSKH-HRCADAONSA-N 1 0 332.488 3.031 20 10 EGCDRO CCSc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000189593574 1295532498 /nfs/dbraw/zinc/53/24/98/1295532498.db2.gz QFYRAFZMEHVIQE-UHFFFAOYSA-N 1 0 343.496 3.320 20 10 EGCDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000190046503 1295558028 /nfs/dbraw/zinc/55/80/28/1295558028.db2.gz PQWUNGCYRIPYHB-ROUUACIJSA-N 1 0 349.544 3.023 20 10 EGCDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193159270 1295839544 /nfs/dbraw/zinc/83/95/44/1295839544.db2.gz WUNZQTMAGKFPOU-UHFFFAOYSA-N 1 0 334.460 3.072 20 10 EGCDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000193927524 1295926108 /nfs/dbraw/zinc/92/61/08/1295926108.db2.gz NIUALHMCDXKSTI-UHFFFAOYSA-N 1 0 337.467 3.278 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870857801 1296116477 /nfs/dbraw/zinc/11/64/77/1296116477.db2.gz ZNVBLYMTVFCICX-IYARVYRRSA-N 1 0 329.488 3.153 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC000870883959 1296130139 /nfs/dbraw/zinc/13/01/39/1296130139.db2.gz MJIZGESRYYDGRH-IYARVYRRSA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@H](C[NH2+]Cc1cc(Br)ccc1O)N1CCCCC1 ZINC000227438791 1296143454 /nfs/dbraw/zinc/14/34/54/1296143454.db2.gz QEWFSBHHZDZMJS-GFCCVEGCSA-N 1 0 327.266 3.119 20 10 EGCDRO CC[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000227721219 1296147978 /nfs/dbraw/zinc/14/79/78/1296147978.db2.gz AYIAQUAHELMFRB-WCQYABFASA-N 1 0 326.412 3.485 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246226012 1296343379 /nfs/dbraw/zinc/34/33/79/1296343379.db2.gz FQMPEMUUFFBGEJ-IAGOWNOFSA-N 1 0 347.503 3.434 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1F ZINC000246776894 1296369280 /nfs/dbraw/zinc/36/92/80/1296369280.db2.gz QBWDCMFAUJLLOX-MSOLQXFVSA-N 1 0 338.492 3.378 20 10 EGCDRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1C ZINC000262581449 1296641784 /nfs/dbraw/zinc/64/17/84/1296641784.db2.gz PHSFXUFWWPIUGX-QGZVFWFLSA-N 1 0 325.456 3.132 20 10 EGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CN(C)C(=O)OC(C)(C)C ZINC000310558535 1297095538 /nfs/dbraw/zinc/09/55/38/1297095538.db2.gz JCPGJZLITGRRKV-UKRRQHHQSA-N 1 0 334.460 3.472 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310563710 1297098387 /nfs/dbraw/zinc/09/83/87/1297098387.db2.gz KUUTXMUGUJJARP-CABCVRRESA-N 1 0 332.444 3.369 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000324827547 1297215251 /nfs/dbraw/zinc/21/52/51/1297215251.db2.gz OZBNJNVLEFRESV-IBGZPJMESA-N 1 0 325.456 3.191 20 10 EGCDRO c1cnc2cccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000873020476 1297228614 /nfs/dbraw/zinc/22/86/14/1297228614.db2.gz TYTWUPDQAPPGRC-UHFFFAOYSA-N 1 0 333.435 3.361 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)cc1Cn1cccn1 ZINC000873044257 1297244069 /nfs/dbraw/zinc/24/40/69/1297244069.db2.gz IGVFIWMNJCRXIH-OAHLLOKOSA-N 1 0 337.423 3.496 20 10 EGCDRO COc1ccc(C[NH2+]C(C)(C)C2CCOCC2)cc1Cn1cccn1 ZINC000873115644 1297278093 /nfs/dbraw/zinc/27/80/93/1297278093.db2.gz LRFKMJGSILWXQH-UHFFFAOYSA-N 1 0 343.471 3.235 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Br)ccc1O ZINC000696079783 1298162787 /nfs/dbraw/zinc/16/27/87/1298162787.db2.gz SRZVQSJCLONDSI-GXFFZTMASA-N 1 0 328.250 3.356 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cncc(Br)c1 ZINC000700833124 1298179742 /nfs/dbraw/zinc/17/97/42/1298179742.db2.gz SJYKWJKVKLEVDK-UHFFFAOYSA-N 1 0 332.245 3.256 20 10 EGCDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000701927305 1298190969 /nfs/dbraw/zinc/19/09/69/1298190969.db2.gz CTYBCIBTMZMYFP-RYUDHWBXSA-N 1 0 326.412 3.437 20 10 EGCDRO CO[C@@](C)(C[NH2+]Cc1ccc(N(C)C)cc1)COCc1ccccc1 ZINC000702787478 1298197857 /nfs/dbraw/zinc/19/78/57/1298197857.db2.gz HWZHTBYEBPHMOB-NRFANRHFSA-N 1 0 342.483 3.464 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000706505005 1298220992 /nfs/dbraw/zinc/22/09/92/1298220992.db2.gz PHYWSCDNZUMJPY-QWHCGFSZSA-N 1 0 338.448 3.307 20 10 EGCDRO CN(C)[C@@H](C[NH2+]Cc1c(O)cccc1Br)c1ccco1 ZINC000706821318 1298224563 /nfs/dbraw/zinc/22/45/63/1298224563.db2.gz CFRISTWBIVTHCG-ZDUSSCGKSA-N 1 0 339.233 3.140 20 10 EGCDRO C[N@H+](CCNCc1c(O)cccc1Br)C1CCCC1 ZINC000706875079 1298227165 /nfs/dbraw/zinc/22/71/65/1298227165.db2.gz MKXCADKCAZGQFO-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C12CCC2 ZINC000713471341 1298271279 /nfs/dbraw/zinc/27/12/79/1298271279.db2.gz TXKJMYGQFOGALO-KGLIPLIRSA-N 1 0 326.234 3.202 20 10 EGCDRO CC[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(Br)ccc1O ZINC000717825588 1298304030 /nfs/dbraw/zinc/30/40/30/1298304030.db2.gz ACQKIKDUFNDGBF-GXSJLCMTSA-N 1 0 338.192 3.212 20 10 EGCDRO C[C@@H](NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000875573250 1298394233 /nfs/dbraw/zinc/39/42/33/1298394233.db2.gz JNRVZBJWXMJKKW-SPYBWZPUSA-N 1 0 341.455 3.444 20 10 EGCDRO CC[N@H+](Cc1cnc(CCOC)s1)Cc1ccc(N(C)C)cc1 ZINC000876522620 1298803614 /nfs/dbraw/zinc/80/36/14/1298803614.db2.gz XOTPLJLXLHOJHS-UHFFFAOYSA-N 1 0 333.501 3.420 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000876536261 1298812043 /nfs/dbraw/zinc/81/20/43/1298812043.db2.gz XDGVAAYKMIULBO-HNNXBMFYSA-N 1 0 342.405 3.422 20 10 EGCDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876623559 1298877476 /nfs/dbraw/zinc/87/74/76/1298877476.db2.gz LLYMNKHNTUSWKT-UHFFFAOYSA-N 1 0 342.458 3.461 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000876642363 1298892267 /nfs/dbraw/zinc/89/22/67/1298892267.db2.gz YGKMJKUPNAZQNN-OAHLLOKOSA-N 1 0 334.460 3.437 20 10 EGCDRO Cc1cccc(NC(=O)N2CC[NH+](Cc3c(C)cccc3O)CC2)c1 ZINC000876660608 1298905726 /nfs/dbraw/zinc/90/57/26/1298905726.db2.gz VZNROAAGZRTPDI-UHFFFAOYSA-N 1 0 339.439 3.359 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCOc2ccccc2F)c1O ZINC000748051367 1298919518 /nfs/dbraw/zinc/91/95/18/1298919518.db2.gz RUDMRJOBMBQLEJ-UHFFFAOYSA-N 1 0 335.350 3.384 20 10 EGCDRO OC1CCN(c2ccc(C[NH+]3CCc4ccccc4CC3)cc2)CC1 ZINC000876736920 1298946387 /nfs/dbraw/zinc/94/63/87/1298946387.db2.gz YAZFBOXSXKBCAK-UHFFFAOYSA-N 1 0 336.479 3.249 20 10 EGCDRO CC[NH2+][C@H](C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000876872375 1299044848 /nfs/dbraw/zinc/04/48/48/1299044848.db2.gz BXFFTTXKTIQRIS-HZPDHXFCSA-N 1 0 326.440 3.480 20 10 EGCDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876932624 1299073566 /nfs/dbraw/zinc/07/35/66/1299073566.db2.gz RJLHRJBPBFWYFF-UTKZUKDTSA-N 1 0 346.515 3.333 20 10 EGCDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)OC ZINC000876966578 1299091902 /nfs/dbraw/zinc/09/19/02/1299091902.db2.gz WRYWXSFZLNOXBT-JXFKEZNVSA-N 1 0 334.504 3.046 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(O)c1 ZINC000876965050 1299092423 /nfs/dbraw/zinc/09/24/23/1299092423.db2.gz ABHSMLQULNKCRG-UHFFFAOYSA-N 1 0 340.467 3.199 20 10 EGCDRO Cc1csc(C(C)(C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877036507 1299125374 /nfs/dbraw/zinc/12/53/74/1299125374.db2.gz SVRPNVZAYHVBHY-UHFFFAOYSA-N 1 0 345.512 3.438 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000877039384 1299126236 /nfs/dbraw/zinc/12/62/36/1299126236.db2.gz DLOPDJAZQCXGHC-IBGZPJMESA-N 1 0 336.479 3.467 20 10 EGCDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877134282 1299174040 /nfs/dbraw/zinc/17/40/40/1299174040.db2.gz OLJGROKBKVLXCZ-MRXNPFEDSA-N 1 0 339.483 3.456 20 10 EGCDRO Cc1cccc(O)c1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000877402398 1299279660 /nfs/dbraw/zinc/27/96/60/1299279660.db2.gz CIVFZRSPKSFTDR-UHFFFAOYSA-N 1 0 329.415 3.409 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1(O)CCCCCC1 ZINC000877436065 1299297234 /nfs/dbraw/zinc/29/72/34/1299297234.db2.gz ACQBUKLPIMDVGX-UHFFFAOYSA-N 1 0 346.515 3.165 20 10 EGCDRO COc1ccc(C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000877493827 1299344773 /nfs/dbraw/zinc/34/47/73/1299344773.db2.gz PAPOAJMCVANYFC-UHFFFAOYSA-N 1 0 338.448 3.041 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CC4(CCC4)[C@H]3C3CC3)cc2)CC1 ZINC000877538906 1299379887 /nfs/dbraw/zinc/37/98/87/1299379887.db2.gz GNVZYHVFCOXOTI-HXUWFJFHSA-N 1 0 326.484 3.412 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCC3CCOCC3)CC2)c(OC)c1 ZINC000877708203 1299498073 /nfs/dbraw/zinc/49/80/73/1299498073.db2.gz DCZGARKXDGBSTC-UHFFFAOYSA-N 1 0 348.487 3.033 20 10 EGCDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC000751529828 1299562655 /nfs/dbraw/zinc/56/26/55/1299562655.db2.gz GSSYNEYHTOGBSN-QGZVFWFLSA-N 1 0 342.439 3.219 20 10 EGCDRO Oc1ccc2ccncc2c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000751598893 1299573270 /nfs/dbraw/zinc/57/32/70/1299573270.db2.gz LLPVIDCDNHOPFW-QGZVFWFLSA-N 1 0 342.439 3.100 20 10 EGCDRO CNC(=O)CCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000753804988 1300023404 /nfs/dbraw/zinc/02/34/04/1300023404.db2.gz HJVFKGHGHVVJRT-UHFFFAOYSA-N 1 0 326.396 3.250 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000754660475 1300185848 /nfs/dbraw/zinc/18/58/48/1300185848.db2.gz VANSVJIRHMELDZ-HNNXBMFYSA-N 1 0 345.512 3.432 20 10 EGCDRO COc1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000754732975 1300203848 /nfs/dbraw/zinc/20/38/48/1300203848.db2.gz YSEVNMNMPQAYKI-KRWDZBQOSA-N 1 0 349.471 3.426 20 10 EGCDRO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756365722 1300476532 /nfs/dbraw/zinc/47/65/32/1300476532.db2.gz CKTFFZUYTLJVDM-IXDOHACOSA-N 1 0 346.515 3.421 20 10 EGCDRO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Br)ccc1O ZINC000756381521 1300480680 /nfs/dbraw/zinc/48/06/80/1300480680.db2.gz MMCCLZDBQNDUPL-BONVTDFDSA-N 1 0 349.228 3.032 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756432665 1300489240 /nfs/dbraw/zinc/48/92/40/1300489240.db2.gz LBVBIDGMJRTHNB-BBRMVZONSA-N 1 0 342.414 3.328 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756432195 1300490029 /nfs/dbraw/zinc/49/00/29/1300490029.db2.gz PYLPPBQBILTVHP-SWLSCSKDSA-N 1 0 346.402 3.290 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)c2c1c(F)ccc2O ZINC000756511635 1300511985 /nfs/dbraw/zinc/51/19/85/1300511985.db2.gz XNPJDYTVIMUNCR-CZUORRHYSA-N 1 0 342.414 3.376 20 10 EGCDRO COCCOCCCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756516142 1300513063 /nfs/dbraw/zinc/51/30/63/1300513063.db2.gz HPYVLIQIIFLTQG-GFCCVEGCSA-N 1 0 346.265 3.249 20 10 EGCDRO C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1[O-] ZINC000756549270 1300520147 /nfs/dbraw/zinc/52/01/47/1300520147.db2.gz NEEFUTQWHURLLW-HNNXBMFYSA-N 1 0 346.446 3.365 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c2c1c(F)ccc2O ZINC000756584516 1300527238 /nfs/dbraw/zinc/52/72/38/1300527238.db2.gz VAWJFJOPZLYBTI-BHPKHCPMSA-N 1 0 334.435 3.316 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(N(C)C)Cc3ccccc3C2)c1 ZINC000756596836 1300528903 /nfs/dbraw/zinc/52/89/03/1300528903.db2.gz HPEQQMXULYOUIJ-HNNXBMFYSA-N 1 0 340.467 3.151 20 10 EGCDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(Br)cc1O ZINC000756629954 1300536209 /nfs/dbraw/zinc/53/62/09/1300536209.db2.gz SRSCIBXBWMWFGP-NEPJUHHUSA-N 1 0 327.266 3.147 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2c1c(F)ccc2O ZINC000756645359 1300539750 /nfs/dbraw/zinc/53/97/50/1300539750.db2.gz IWWFUEMVNWGIHP-XUJVJEKNSA-N 1 0 345.393 3.482 20 10 EGCDRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647588 1300647166 /nfs/dbraw/zinc/64/71/66/1300647166.db2.gz FRHWYLFOUWMGTA-MRXNPFEDSA-N 1 0 326.440 3.480 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc(OC)cc1 ZINC000879649268 1300650307 /nfs/dbraw/zinc/65/03/07/1300650307.db2.gz OSLKSPLHMYJSCN-CXAGYDPISA-N 1 0 328.412 3.469 20 10 EGCDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000757893027 1300754269 /nfs/dbraw/zinc/75/42/69/1300754269.db2.gz WZKLNLQLANJPPX-OAHLLOKOSA-N 1 0 329.419 3.250 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)ccc1OC ZINC000758547548 1300909128 /nfs/dbraw/zinc/90/91/28/1300909128.db2.gz WWIYTZXAHVDTHU-KRWDZBQOSA-N 1 0 327.424 3.194 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1C(C)C ZINC000758983648 1300994045 /nfs/dbraw/zinc/99/40/45/1300994045.db2.gz ROKRDSOSPVDGSA-UHFFFAOYSA-N 1 0 344.434 3.075 20 10 EGCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000759173058 1301032316 /nfs/dbraw/zinc/03/23/16/1301032316.db2.gz MINNYYARMXUFHL-UYAOXDASSA-N 1 0 327.424 3.343 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3cccnn3)CC2)c2c1c(F)ccc2O ZINC000760048221 1301213803 /nfs/dbraw/zinc/21/38/03/1301213803.db2.gz RRTQIRYFJUTOTG-WFASDCNBSA-N 1 0 342.418 3.128 20 10 EGCDRO CCN(C)c1ccc(Cn2cc(C[C@@H]([NH3+])c3ccccc3)nn2)cc1 ZINC000881313549 1301521251 /nfs/dbraw/zinc/52/12/51/1301521251.db2.gz NSFVHKOJYSYDLQ-HXUWFJFHSA-N 1 0 335.455 3.025 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000761977237 1301581309 /nfs/dbraw/zinc/58/13/09/1301581309.db2.gz WBGISWOTYRDADG-HNNXBMFYSA-N 1 0 347.459 3.490 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c(O)c1 ZINC000762613946 1301712966 /nfs/dbraw/zinc/71/29/66/1301712966.db2.gz LHPHDNQNBSAQRY-KBMXLJTQSA-N 1 0 325.499 3.260 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1O ZINC000762616770 1301713888 /nfs/dbraw/zinc/71/38/88/1301713888.db2.gz RZNJSNGRNGVEBK-INWMFGNUSA-N 1 0 325.499 3.260 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)cc1 ZINC000764809490 1302141084 /nfs/dbraw/zinc/14/10/84/1302141084.db2.gz KBUGZEHVMBSALB-VQIMIIECSA-N 1 0 328.456 3.233 20 10 EGCDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765330712 1302248588 /nfs/dbraw/zinc/24/85/88/1302248588.db2.gz OGLFRSWRJIMVMM-KBPBESRZSA-N 1 0 326.868 3.110 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)N3CCCCC3)CC2)cc1 ZINC000765257425 1302231248 /nfs/dbraw/zinc/23/12/48/1302231248.db2.gz YECTXVAOEQZIFB-QGZVFWFLSA-N 1 0 331.504 3.128 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)cc1 ZINC000765311727 1302243686 /nfs/dbraw/zinc/24/36/86/1302243686.db2.gz RQPNNJGKVOSDRZ-OAHLLOKOSA-N 1 0 343.446 3.362 20 10 EGCDRO C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765450903 1302265923 /nfs/dbraw/zinc/26/59/23/1302265923.db2.gz SEYCILYUIRTIRW-CABCVRRESA-N 1 0 339.911 3.167 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000765791228 1302329271 /nfs/dbraw/zinc/32/92/71/1302329271.db2.gz ZOXGZAKIWYDFRP-ZWKOTPCHSA-N 1 0 331.504 3.048 20 10 EGCDRO Cc1nc([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)s1 ZINC000883289177 1302368179 /nfs/dbraw/zinc/36/81/79/1302368179.db2.gz GZQCVXFPMWDCLG-AWEZNQCLSA-N 1 0 344.528 3.363 20 10 EGCDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766580390 1302481823 /nfs/dbraw/zinc/48/18/23/1302481823.db2.gz FGONYWHJYZWATQ-BZUAXINKSA-N 1 0 336.451 3.128 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC000768142755 1302834721 /nfs/dbraw/zinc/83/47/21/1302834721.db2.gz ODZVJJCBLCBSMK-UHFFFAOYSA-N 1 0 330.403 3.252 20 10 EGCDRO CCOc1ccccc1N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000768142137 1302835072 /nfs/dbraw/zinc/83/50/72/1302835072.db2.gz ISIBYEWKPIWYCQ-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1F ZINC000768179568 1302847839 /nfs/dbraw/zinc/84/78/39/1302847839.db2.gz IRAZDFSZYUALAX-HNNXBMFYSA-N 1 0 330.403 3.164 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC000768236936 1302863365 /nfs/dbraw/zinc/86/33/65/1302863365.db2.gz MXBBUGKYBVLUAC-SFHVURJKSA-N 1 0 325.408 3.408 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000768251157 1302865335 /nfs/dbraw/zinc/86/53/35/1302865335.db2.gz ILBJYVHZZVUIJU-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO CCN(CC)c1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000768252156 1302866259 /nfs/dbraw/zinc/86/62/59/1302866259.db2.gz YGJQNPFTFMOFST-OAQYLSRUSA-N 1 0 345.531 3.220 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2cc3c(cc2O)OCO3)C2CC2)cc1 ZINC000768256320 1302869640 /nfs/dbraw/zinc/86/96/40/1302869640.db2.gz BYKLZEMHFCCIGR-UHFFFAOYSA-N 1 0 340.423 3.352 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(C)CCO[C@H]3C3CC3)CC2)cc1 ZINC000768296365 1302876921 /nfs/dbraw/zinc/87/69/21/1302876921.db2.gz WXDBZTROXMNNHL-LEWJYISDSA-N 1 0 344.499 3.459 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)c(O)cc1C ZINC000768442085 1302903258 /nfs/dbraw/zinc/90/32/58/1302903258.db2.gz OQNSWPGIZSNVSX-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1CCc1ccccc1)[C@H](O)CO2 ZINC000768442151 1302903689 /nfs/dbraw/zinc/90/36/89/1302903689.db2.gz JRVJFEPIUYELCM-FXAWDEMLSA-N 1 0 339.435 3.415 20 10 EGCDRO C[N@H+](Cc1ccc(Cl)s1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441931 1302903906 /nfs/dbraw/zinc/90/39/06/1302903906.db2.gz MCOQJNDYHIXXPI-ZDUSSCGKSA-N 1 0 325.817 3.165 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768445838 1302907970 /nfs/dbraw/zinc/90/79/70/1302907970.db2.gz INACFCXPJCRWMM-AUUYWEPGSA-N 1 0 343.398 3.022 20 10 EGCDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000768444322 1302908078 /nfs/dbraw/zinc/90/80/78/1302908078.db2.gz XMOZKLBWMNRMLJ-HKUYNNGSSA-N 1 0 325.408 3.464 20 10 EGCDRO COc1cc(CN2C[C@H]([NH+](C)C)Cc3ccccc32)c(O)cc1C ZINC000768461860 1302912242 /nfs/dbraw/zinc/91/22/42/1302912242.db2.gz GNBJEMMDXIDPNY-QGZVFWFLSA-N 1 0 326.440 3.202 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCN1CC(F)(F)F ZINC000768466257 1302914039 /nfs/dbraw/zinc/91/40/39/1302914039.db2.gz WZOGYXQHUPGPFI-CYBMUJFWSA-N 1 0 342.405 3.339 20 10 EGCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000769107040 1303048092 /nfs/dbraw/zinc/04/80/92/1303048092.db2.gz JEYDHSAHEPHGPT-RBSFLKMASA-N 1 0 338.879 3.119 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c1O ZINC000769465376 1303117963 /nfs/dbraw/zinc/11/79/63/1303117963.db2.gz GVTWKAIXXUQWIL-IAGOWNOFSA-N 1 0 340.467 3.496 20 10 EGCDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769470264 1303120196 /nfs/dbraw/zinc/12/01/96/1303120196.db2.gz KDBVWHINADDOHE-RISCZKNCSA-N 1 0 341.839 3.258 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c(O)c1 ZINC000769485223 1303123903 /nfs/dbraw/zinc/12/39/03/1303123903.db2.gz LYBZZKACBVKHPI-OAQYLSRUSA-N 1 0 339.435 3.465 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000769528303 1303135848 /nfs/dbraw/zinc/13/58/48/1303135848.db2.gz UQXBTIAUMYLPFI-NRFANRHFSA-N 1 0 344.499 3.447 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000769933271 1303195671 /nfs/dbraw/zinc/19/56/71/1303195671.db2.gz FVSFIHHNBGTYFK-UHFFFAOYSA-N 1 0 327.380 3.299 20 10 EGCDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769993927 1303203175 /nfs/dbraw/zinc/20/31/75/1303203175.db2.gz INAWORTUKPLLKY-LRPXVYOUSA-N 1 0 338.879 3.154 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C)cc3O)c2)CC1 ZINC000770148161 1303228691 /nfs/dbraw/zinc/22/86/91/1303228691.db2.gz QDMFFOUVFXLLLP-UHFFFAOYSA-N 1 0 339.439 3.095 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000770356580 1303252816 /nfs/dbraw/zinc/25/28/16/1303252816.db2.gz YKPZUGSDILWIPA-QGZVFWFLSA-N 1 0 327.476 3.339 20 10 EGCDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000770372659 1303255643 /nfs/dbraw/zinc/25/56/43/1303255643.db2.gz DWLVMAWKAYTADO-WBVHZDCISA-N 1 0 347.503 3.488 20 10 EGCDRO CCN(CCC[NH2+][C@H](C)c1cc(OC)ccc1O)CC(F)(F)F ZINC000771768001 1303441185 /nfs/dbraw/zinc/44/11/85/1303441185.db2.gz MQZXXDJDYGPSDH-GFCCVEGCSA-N 1 0 334.382 3.326 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886607196 1303521214 /nfs/dbraw/zinc/52/12/14/1303521214.db2.gz MKJJGAJRFFIOHJ-GUYCJALGSA-N 1 0 332.419 3.493 20 10 EGCDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773012904 1303607224 /nfs/dbraw/zinc/60/72/24/1303607224.db2.gz DKJOLATZXAFERW-HOCLYGCPSA-N 1 0 340.895 3.378 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000773018454 1303608997 /nfs/dbraw/zinc/60/89/97/1303608997.db2.gz WOAMLCSIXPCRIT-QILLFSRXSA-N 1 0 338.517 3.149 20 10 EGCDRO COCC1(C)CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000773727560 1303730104 /nfs/dbraw/zinc/73/01/04/1303730104.db2.gz PQDUOXKRBDXLCT-UHFFFAOYSA-N 1 0 325.836 3.497 20 10 EGCDRO CCN(C)c1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000773735048 1303732372 /nfs/dbraw/zinc/73/23/72/1303732372.db2.gz XBHIRMPNPHQPIZ-UHFFFAOYSA-N 1 0 337.467 3.406 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000773758751 1303736355 /nfs/dbraw/zinc/73/63/55/1303736355.db2.gz XYOSFNMDNBHTCV-LJQANCHMSA-N 1 0 329.488 3.120 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000773852056 1303747129 /nfs/dbraw/zinc/74/71/29/1303747129.db2.gz WPYAIROQSGIYFY-OAQYLSRUSA-N 1 0 335.451 3.239 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000773887934 1303751642 /nfs/dbraw/zinc/75/16/42/1303751642.db2.gz JTMYTCHWJSAXCN-HOCLYGCPSA-N 1 0 330.394 3.278 20 10 EGCDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774482785 1303815198 /nfs/dbraw/zinc/81/51/98/1303815198.db2.gz HQKHXXHUWQCQON-SJORKVTESA-N 1 0 339.483 3.417 20 10 EGCDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775059314 1303897398 /nfs/dbraw/zinc/89/73/98/1303897398.db2.gz LDBQHBOUYAMEOR-QGZVFWFLSA-N 1 0 335.448 3.082 20 10 EGCDRO CC[C@H]([NH2+]C1CCN(CCOC)CC1)c1cc(Cl)ccc1O ZINC000775488992 1303971608 /nfs/dbraw/zinc/97/16/08/1303971608.db2.gz LOUCYQKENZPHRZ-INIZCTEOSA-N 1 0 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1304522083 /nfs/dbraw/zinc/52/20/83/1304522083.db2.gz JUSNDEYTEJJJPF-NSHDSACASA-N 1 0 336.233 3.412 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(Br)cc1O ZINC000779067382 1304524700 /nfs/dbraw/zinc/52/47/00/1304524700.db2.gz WNPQBYPQRNJNOO-ZYHUDNBSSA-N 1 0 336.233 3.017 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)c(O)cc1C ZINC000780493843 1304700047 /nfs/dbraw/zinc/70/00/47/1304700047.db2.gz KEQLOBYRALHCJK-OAHLLOKOSA-N 1 0 333.350 3.253 20 10 EGCDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)n1 ZINC000780740518 1304732688 /nfs/dbraw/zinc/73/26/88/1304732688.db2.gz QRSUIVGJGQRKOM-HNNXBMFYSA-N 1 0 327.476 3.387 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H](F)c2ccccc2)[NH+](C)C)cc1 ZINC000891247118 1304999265 /nfs/dbraw/zinc/99/92/65/1304999265.db2.gz FFDWUJKNICDFIW-MOPGFXCFSA-N 1 0 343.446 3.182 20 10 EGCDRO CN(C)c1ccc([C@H](CNC(=O)CCCC(F)(F)F)[NH+](C)C)cc1 ZINC000891247623 1304999592 /nfs/dbraw/zinc/99/95/92/1304999592.db2.gz IKTUKZKOLAXUPP-HNNXBMFYSA-N 1 0 345.409 3.204 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2F)[NH+](C)C)cc1 ZINC000891254527 1305001287 /nfs/dbraw/zinc/00/12/87/1305001287.db2.gz YZADDFQFQOAEGK-QGZVFWFLSA-N 1 0 347.409 3.064 20 10 EGCDRO COC1CCC(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000891526991 1305080223 /nfs/dbraw/zinc/08/02/23/1305080223.db2.gz SFPPYCHRHINZSN-UHFFFAOYSA-N 1 0 332.488 3.160 20 10 EGCDRO COc1ccc(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(O)c1OC ZINC000891735766 1305152013 /nfs/dbraw/zinc/15/20/13/1305152013.db2.gz NXBWJBVVSFDYAA-UXLLHSPISA-N 1 0 348.487 3.247 20 10 EGCDRO CCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000892101948 1305250350 /nfs/dbraw/zinc/25/03/50/1305250350.db2.gz PAQRNFCJVOUJHN-ZMYBRWDISA-N 1 0 349.471 3.435 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1OC ZINC000892223227 1305284280 /nfs/dbraw/zinc/28/42/80/1305284280.db2.gz GUUAKLFNGQUUQM-LSDHHAIUSA-N 1 0 347.411 3.091 20 10 EGCDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000785989158 1305487294 /nfs/dbraw/zinc/48/72/94/1305487294.db2.gz SQEQGGNJYMOJAS-JTNHKYCSSA-N 1 0 328.250 3.136 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O ZINC000785987223 1305487384 /nfs/dbraw/zinc/48/73/84/1305487384.db2.gz GQBVUPCUTZXUSC-JVLSTEMRSA-N 1 0 342.277 3.444 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c(O)c1OC ZINC000892687044 1305509650 /nfs/dbraw/zinc/50/96/50/1305509650.db2.gz HZSYUVHCEUKPDY-AEFFLSMTSA-N 1 0 343.423 3.419 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cnc1F ZINC000892728331 1305526540 /nfs/dbraw/zinc/52/65/40/1305526540.db2.gz ACPUAYORQGLLHI-OAHLLOKOSA-N 1 0 329.419 3.217 20 10 EGCDRO COc1ccccc1C(C)(C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892750962 1305538818 /nfs/dbraw/zinc/53/88/18/1305538818.db2.gz ZVFKVTZMNKLJCZ-UHFFFAOYSA-N 1 0 345.439 3.485 20 10 EGCDRO O=C(c1ccc2c[nH+]cn2c1)N(Cc1ccco1)Cc1ccccc1O ZINC000786329845 1305557178 /nfs/dbraw/zinc/55/71/78/1305557178.db2.gz IBYAPKXUMKUTRG-UHFFFAOYSA-N 1 0 347.374 3.476 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)Oc2cccc(F)c2)c(O)c1OC ZINC000893068744 1305690456 /nfs/dbraw/zinc/69/04/56/1305690456.db2.gz OBLHYVSZKNCATR-GFCCVEGCSA-N 1 0 335.375 3.106 20 10 EGCDRO COCC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(C)o1 ZINC000893400545 1305872236 /nfs/dbraw/zinc/87/22/36/1305872236.db2.gz FVLREMCIPLKZHD-CQSZACIVSA-N 1 0 335.400 3.178 20 10 EGCDRO CC[N@H+](Cc1ocnc1C)Cc1cc(Br)ccc1O ZINC000894086196 1306209694 /nfs/dbraw/zinc/20/96/94/1306209694.db2.gz YVBDVQLFNBIZOJ-UHFFFAOYSA-N 1 0 325.206 3.473 20 10 EGCDRO COc1ccc(CCC[NH2+]Cc2cc(C)cc(OC)c2O)cc1OC ZINC000894206349 1306276474 /nfs/dbraw/zinc/27/64/74/1306276474.db2.gz HFSSIHIWBUBYMW-UHFFFAOYSA-N 1 0 345.439 3.449 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CC2(CCOCC2)O1 ZINC000790401636 1306318113 /nfs/dbraw/zinc/31/81/13/1306318113.db2.gz NEEHDVXNADDNKI-OAHLLOKOSA-N 1 0 331.456 3.041 20 10 EGCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000894287199 1306322019 /nfs/dbraw/zinc/32/20/19/1306322019.db2.gz UHVVXIQUILTKBX-IRXDYDNUSA-N 1 0 346.519 3.187 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1O ZINC000894370458 1306362566 /nfs/dbraw/zinc/36/25/66/1306362566.db2.gz LUKYFOQCNFIPTB-IVMMDQJWSA-N 1 0 325.499 3.178 20 10 EGCDRO COCC1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000790652729 1306368572 /nfs/dbraw/zinc/36/85/72/1306368572.db2.gz RQULLVYPAWPSNV-UHFFFAOYSA-N 1 0 333.432 3.244 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCOCc2ccccc2)c(O)c1OC ZINC000894515530 1308932933 /nfs/dbraw/zinc/93/29/33/1308932933.db2.gz PEJCUTNOFKOZTJ-OAHLLOKOSA-N 1 0 345.439 3.494 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)CCn2cccn2)c(C(F)(F)F)c1 ZINC000792825062 1309237526 /nfs/dbraw/zinc/23/75/26/1309237526.db2.gz QWYGZQNFBDSYHK-UHFFFAOYSA-N 1 0 326.366 3.100 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000792940486 1309266823 /nfs/dbraw/zinc/26/68/23/1309266823.db2.gz AKRFGGHQHJTVEK-ZVZYQTTQSA-N 1 0 330.472 3.136 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000792940483 1309267570 /nfs/dbraw/zinc/26/75/70/1309267570.db2.gz AKRFGGHQHJTVEK-HFTRVMKXSA-N 1 0 330.472 3.136 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000792940485 1309267590 /nfs/dbraw/zinc/26/75/90/1309267590.db2.gz AKRFGGHQHJTVEK-UWWQBHOKSA-N 1 0 330.472 3.136 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCOC[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000792986479 1309276752 /nfs/dbraw/zinc/27/67/52/1309276752.db2.gz NJBMBHYEMGSRSU-OAHLLOKOSA-N 1 0 346.393 3.057 20 10 EGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCSc2nccs2)[C@H]1C ZINC000792991724 1309277879 /nfs/dbraw/zinc/27/78/79/1309277879.db2.gz INJHQSMKNCMNOW-RWMBFGLXSA-N 1 0 328.503 3.193 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1OC ZINC000793080906 1309292979 /nfs/dbraw/zinc/29/29/79/1309292979.db2.gz XCGZYXJXQSHEIT-OAGGEKHMSA-N 1 0 346.393 3.053 20 10 EGCDRO C[C@@]1([NH2+]Cc2ccccc2O)CCN(C(=O)OCc2ccccc2)C1 ZINC000793343088 1309350789 /nfs/dbraw/zinc/35/07/89/1309350789.db2.gz ILISGUCEUSTKCS-HXUWFJFHSA-N 1 0 340.423 3.283 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)CN(Cc3ccccc3)C2)c(O)c1 ZINC000793389132 1309361724 /nfs/dbraw/zinc/36/17/24/1309361724.db2.gz WZQXVJUPXYSJCD-LPHOPBHVSA-N 1 0 340.467 3.401 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000895495551 1309369743 /nfs/dbraw/zinc/36/97/43/1309369743.db2.gz SISSHNLMGUXZPI-MRXNPFEDSA-N 1 0 346.377 3.128 20 10 EGCDRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000895837685 1309547749 /nfs/dbraw/zinc/54/77/49/1309547749.db2.gz WMHCQFCJUHITOC-INIZCTEOSA-N 1 0 325.330 3.292 20 10 EGCDRO COc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794703711 1309578357 /nfs/dbraw/zinc/57/83/57/1309578357.db2.gz LSODHJBRUKPHGH-JLTOFOAXSA-N 1 0 349.471 3.078 20 10 EGCDRO CC[C@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccc(C)cc1O ZINC000794801317 1309596612 /nfs/dbraw/zinc/59/66/12/1309596612.db2.gz JMPPCDRBPGOFSN-SFHVURJKSA-N 1 0 326.440 3.344 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C)cc1O ZINC000794813108 1309600062 /nfs/dbraw/zinc/60/00/62/1309600062.db2.gz CALJPXLNUBHATM-DZKIICNBSA-N 1 0 325.474 3.097 20 10 EGCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Cl)ccc1O ZINC000794827172 1309604001 /nfs/dbraw/zinc/60/40/01/1309604001.db2.gz GIHIXNALJXEYMB-CYBMUJFWSA-N 1 0 331.865 3.054 20 10 EGCDRO CCN(C(=O)C[NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccccc1 ZINC000896293556 1309790830 /nfs/dbraw/zinc/79/08/30/1309790830.db2.gz NCUCELDMTHUKBX-UHFFFAOYSA-N 1 0 348.830 3.197 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3ccn(C)n3)CC2)c1O ZINC000896497062 1309885524 /nfs/dbraw/zinc/88/55/24/1309885524.db2.gz XSVHNWPMSJWHPO-UHFFFAOYSA-N 1 0 335.835 3.167 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1OC ZINC000896511742 1309892849 /nfs/dbraw/zinc/89/28/49/1309892849.db2.gz ZSHIDVYYPHFYPT-LLVKDONJSA-N 1 0 332.356 3.168 20 10 EGCDRO COc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)c(O)c1OC ZINC000896823632 1310036571 /nfs/dbraw/zinc/03/65/71/1310036571.db2.gz WHJSNZIPOFCWMD-UHFFFAOYSA-N 1 0 334.441 3.035 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C)cc1O ZINC000797041259 1310131608 /nfs/dbraw/zinc/13/16/08/1310131608.db2.gz YLGAWFKNMDWABS-FUHWJXTLSA-N 1 0 345.487 3.422 20 10 EGCDRO Oc1cc2c(cc1CNC[C@H]1CCC[N@@H+]1C1CCCCC1)OCO2 ZINC000797889445 1310264227 /nfs/dbraw/zinc/26/42/27/1310264227.db2.gz MNFFRGWQVMPLTN-MRXNPFEDSA-N 1 0 332.444 3.008 20 10 EGCDRO CN(C)c1ccc([C@H](CNc2cc(C(F)F)ncn2)[NH+](C)C)cc1 ZINC000897521145 1310360036 /nfs/dbraw/zinc/36/00/36/1310360036.db2.gz DJCWNOJJSOAXQN-HNNXBMFYSA-N 1 0 335.402 3.195 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897533318 1310366050 /nfs/dbraw/zinc/36/60/50/1310366050.db2.gz DCNDBRJLXPZJQU-BXUZGUMPSA-N 1 0 328.250 3.186 20 10 EGCDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000800223033 1310706643 /nfs/dbraw/zinc/70/66/43/1310706643.db2.gz OGUXMTLDKWOPCF-BZUAXINKSA-N 1 0 338.467 3.342 20 10 EGCDRO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1c(O)cccc1Cl ZINC000800311021 1310730548 /nfs/dbraw/zinc/73/05/48/1310730548.db2.gz CRCKFWUXCKYWJZ-KHPPLWFESA-N 1 0 344.842 3.355 20 10 EGCDRO CN(C)c1ccc([C@@H](CNCc2cnc(C3CC3)o2)[NH+](C)C)cc1 ZINC000898447412 1310739158 /nfs/dbraw/zinc/73/91/58/1310739158.db2.gz JMXWRRSYGUOOCR-GOSISDBHSA-N 1 0 328.460 3.011 20 10 EGCDRO CN(C)c1ccc([C@H](CNCc2csc(C3CC3)n2)[NH+](C)C)cc1 ZINC000898452054 1310741817 /nfs/dbraw/zinc/74/18/17/1310741817.db2.gz SUMCENOQIKGASL-SFHVURJKSA-N 1 0 344.528 3.479 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2CC[C@H](OC)[C@H](C)C2)c1O ZINC000824815030 1320287253 /nfs/dbraw/zinc/28/72/53/1320287253.db2.gz HOOAMHALEKTRIJ-MFKMUULPSA-N 1 0 344.249 3.020 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(Oc3cnccn3)CC2)cc1Cl ZINC000825716285 1320357387 /nfs/dbraw/zinc/35/73/87/1320357387.db2.gz RNSOWGYVHGHOGC-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710299 1320357536 /nfs/dbraw/zinc/35/75/36/1320357536.db2.gz LMSOKWZIUWQFRU-QMTHXVAHSA-N 1 0 337.769 3.489 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000825710298 1320357623 /nfs/dbraw/zinc/35/76/23/1320357623.db2.gz LMSOKWZIUWQFRU-IINYFYTJSA-N 1 0 337.769 3.489 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000826020091 1320379084 /nfs/dbraw/zinc/37/90/84/1320379084.db2.gz PSKMMSPSMGDEOX-HXUWFJFHSA-N 1 0 339.483 3.234 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1O ZINC000827197232 1320433154 /nfs/dbraw/zinc/43/31/54/1320433154.db2.gz XQGYGTQPVSGAKJ-RBUKOAKNSA-N 1 0 341.451 3.389 20 10 EGCDRO COc1cccc(CNc2ccc(OCC[NH+](C)C)c(C)c2)c1O ZINC000839185254 1320889516 /nfs/dbraw/zinc/88/95/16/1320889516.db2.gz YQDCECGXNITLKJ-UHFFFAOYSA-N 1 0 330.428 3.262 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000839186179 1320889921 /nfs/dbraw/zinc/88/99/21/1320889921.db2.gz BKKYNKCHVUDRHI-JIMOISOXSA-N 1 0 326.234 3.442 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cccs1)c1ccc(N(C)C)cc1 ZINC000839563485 1320938190 /nfs/dbraw/zinc/93/81/90/1320938190.db2.gz LBEINURIVWZPIE-CQSZACIVSA-N 1 0 331.485 3.123 20 10 EGCDRO C[C@@H]1CC(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000801732512 1316943447 /nfs/dbraw/zinc/94/34/47/1316943447.db2.gz NCZCTEURHCTJQV-IAGOWNOFSA-N 1 0 332.488 3.207 20 10 EGCDRO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c(O)c1O ZINC000802383220 1317004574 /nfs/dbraw/zinc/00/45/74/1317004574.db2.gz LTTQLOYOWFGQOT-HNNXBMFYSA-N 1 0 348.830 3.092 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)c(O)c1 ZINC000802650820 1317021667 /nfs/dbraw/zinc/02/16/67/1317021667.db2.gz BJFAZZXOQUPNBD-UHFFFAOYSA-N 1 0 329.425 3.153 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCCOCC(F)(F)F)cc1F ZINC000858095514 1328680702 /nfs/dbraw/zinc/68/07/02/1328680702.db2.gz PQIXOEXUECPCKM-UHFFFAOYSA-N 1 0 326.309 3.089 20 10 EGCDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1c(O)cccc1Br ZINC000858117774 1328687243 /nfs/dbraw/zinc/68/72/43/1328687243.db2.gz AQEPOYCOGXXRHE-MRVPVSSYSA-N 1 0 342.155 3.212 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CCO)Cc2ccccc2)cc1F ZINC000858162082 1328699849 /nfs/dbraw/zinc/69/98/49/1328699849.db2.gz NXCOEKMCZSFPPU-MRXNPFEDSA-N 1 0 334.410 3.114 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(F)cc3)C2)cc1C ZINC001019939077 1317467147 /nfs/dbraw/zinc/46/71/47/1317467147.db2.gz ORHUARKTXBMWIW-IYARVYRRSA-N 1 0 342.414 3.193 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1F ZINC000858166438 1328701475 /nfs/dbraw/zinc/70/14/75/1328701475.db2.gz NKBSTAUZKVSRMY-UHFFFAOYSA-N 1 0 330.382 3.207 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@]3(C)CC=CCC3)C2)cc1C ZINC001020192051 1317586743 /nfs/dbraw/zinc/58/67/43/1317586743.db2.gz YMKQHIHQELKAOL-WFXMLNOXSA-N 1 0 342.483 3.487 20 10 EGCDRO CCNc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000902621344 1317599680 /nfs/dbraw/zinc/59/96/80/1317599680.db2.gz GCGKIWXOJMWMSM-UHFFFAOYSA-N 1 0 339.483 3.369 20 10 EGCDRO COC(=O)COc1c(C)cc(C[NH2+]Cc2cc(C)ccc2O)cc1C ZINC000858236920 1328718577 /nfs/dbraw/zinc/71/85/77/1328718577.db2.gz AQMFTPDMCRFJKX-UHFFFAOYSA-N 1 0 343.423 3.159 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)c1O ZINC000808676382 1317713396 /nfs/dbraw/zinc/71/33/96/1317713396.db2.gz CBBURYQLODDQHB-LBPRGKRZSA-N 1 0 343.818 3.181 20 10 EGCDRO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001020564866 1317776553 /nfs/dbraw/zinc/77/65/53/1317776553.db2.gz NCAXMPYQKQYMME-BRSBDYLESA-N 1 0 330.472 3.177 20 10 EGCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000809632088 1317852532 /nfs/dbraw/zinc/85/25/32/1317852532.db2.gz KDEOGQDTVWWTOY-AEFFLSMTSA-N 1 0 331.504 3.160 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)c(O)c1 ZINC000809658116 1317858790 /nfs/dbraw/zinc/85/87/90/1317858790.db2.gz DQPCVCZEUHVINH-CYBMUJFWSA-N 1 0 345.439 3.447 20 10 EGCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000905051924 1317916488 /nfs/dbraw/zinc/91/64/88/1317916488.db2.gz JMAWCADCQUJRAH-FQEVSTJZSA-N 1 0 342.508 3.371 20 10 EGCDRO CC[C@@H]([NH2+][C@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810208891 1317976619 /nfs/dbraw/zinc/97/66/19/1317976619.db2.gz HIPXMWWEZDORAH-IUODEOHRSA-N 1 0 346.393 3.172 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC34CCCC4)C2)cc1C ZINC001020881899 1317982518 /nfs/dbraw/zinc/98/25/18/1317982518.db2.gz FPIICGYUCIGMQJ-BZSNNMDCSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C)cc1C ZINC000960089532 1318347997 /nfs/dbraw/zinc/34/79/97/1318347997.db2.gz PTQFQKSKPKERDI-FHLIZLRMSA-N 1 0 330.472 3.130 20 10 EGCDRO Oc1c(Cl)cccc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000812778778 1318452508 /nfs/dbraw/zinc/45/25/08/1318452508.db2.gz OHUKXSPZHFQEIS-INIZCTEOSA-N 1 0 332.831 3.224 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000813857305 1318644562 /nfs/dbraw/zinc/64/45/62/1318644562.db2.gz RYEFDWQPONFXFY-AWEZNQCLSA-N 1 0 343.446 3.444 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc(C)c3)C2)cc1C ZINC001021800355 1318691411 /nfs/dbraw/zinc/69/14/11/1318691411.db2.gz BRRDOCREQPBBEE-KDURUIRLSA-N 1 0 338.451 3.363 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(N(C)C)cc1 ZINC000858535180 1328790612 /nfs/dbraw/zinc/79/06/12/1328790612.db2.gz RFSIQIYPFPRYSX-GGPKGHCWSA-N 1 0 341.455 3.424 20 10 EGCDRO Oc1c(C[NH2+]Cc2ccc(N3CCOCC3)nc2)ccc2ccccc21 ZINC000816533121 1319176133 /nfs/dbraw/zinc/17/61/33/1319176133.db2.gz JUORZEYAEKFDDS-UHFFFAOYSA-N 1 0 349.434 3.067 20 10 EGCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816542521 1319178258 /nfs/dbraw/zinc/17/82/58/1319178258.db2.gz RYAMQKQKDHBGOW-UHFFFAOYSA-N 1 0 341.432 3.239 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@]2(CCCOC2)O1 ZINC000816597969 1319189813 /nfs/dbraw/zinc/18/98/13/1319189813.db2.gz LUVMPHIREVGNJZ-YWZLYKJASA-N 1 0 327.424 3.315 20 10 EGCDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000817363398 1319338108 /nfs/dbraw/zinc/33/81/08/1319338108.db2.gz CMPDFXHLLDQGLI-OLZOCXBDSA-N 1 0 349.427 3.063 20 10 EGCDRO CN(c1ccc(CNC(=O)NC(C)(C)CC[NH3+])cc1)C1CCCCC1 ZINC000817876813 1319450199 /nfs/dbraw/zinc/45/01/99/1319450199.db2.gz MDOZDOCOLDZBDD-UHFFFAOYSA-N 1 0 346.519 3.382 20 10 EGCDRO COc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1F ZINC000817938380 1319466770 /nfs/dbraw/zinc/46/67/70/1319466770.db2.gz JQDAEYLULBOFNB-UGSOOPFHSA-N 1 0 331.435 3.251 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817939308 1319468240 /nfs/dbraw/zinc/46/82/40/1319468240.db2.gz BAWGMGZGQGYSHR-RTBURBONSA-N 1 0 343.446 3.395 20 10 EGCDRO COC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000817944245 1319471400 /nfs/dbraw/zinc/47/14/00/1319471400.db2.gz YJVUOZAPGMAQGF-RBUKOAKNSA-N 1 0 349.425 3.008 20 10 EGCDRO COc1ncc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000817944078 1319471572 /nfs/dbraw/zinc/47/15/72/1319471572.db2.gz XGDDANOYEQRGQG-PXAZEXFGSA-N 1 0 348.878 3.160 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1O ZINC000817946946 1319472187 /nfs/dbraw/zinc/47/21/87/1319472187.db2.gz INRZVSAIFOTNLV-SDDRHHMPSA-N 1 0 327.266 3.193 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)NC[C@H]2CCCC[NH2+]2)c1O ZINC000817949659 1319473384 /nfs/dbraw/zinc/47/33/84/1319473384.db2.gz LNMMHJVWBGYLSK-WCQYABFASA-N 1 0 327.266 3.256 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CN)CC(C)C)c1O ZINC000817960357 1319478318 /nfs/dbraw/zinc/47/83/18/1319478318.db2.gz YEQFUMLLUJBISM-DGCLKSJQSA-N 1 0 329.282 3.487 20 10 EGCDRO CC[C@@H](NC[C@@]1(COC)CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817973894 1319482153 /nfs/dbraw/zinc/48/21/53/1319482153.db2.gz HGAFOFJKACSMLJ-GDBMZVCRSA-N 1 0 346.393 3.220 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817982435 1319485520 /nfs/dbraw/zinc/48/55/20/1319485520.db2.gz SHESOGMEEDJUES-GXFFZTMASA-N 1 0 333.259 3.118 20 10 EGCDRO C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000915685971 1319519790 /nfs/dbraw/zinc/51/97/90/1319519790.db2.gz LTAGXHYWNLZRJS-QFBILLFUSA-N 1 0 331.504 3.222 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(N(C)C)cc3)C2)cc1 ZINC000818221400 1319521920 /nfs/dbraw/zinc/52/19/20/1319521920.db2.gz RTRJHJJFCLMVRI-SFHVURJKSA-N 1 0 339.483 3.377 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]CC3(OC)CCCCC3)C2)cc1 ZINC000818222917 1319522490 /nfs/dbraw/zinc/52/24/90/1319522490.db2.gz XURMTKPLZRYKBO-QGZVFWFLSA-N 1 0 332.488 3.460 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccnn3C(C)C)C2)cc1 ZINC000818222883 1319522745 /nfs/dbraw/zinc/52/27/45/1319522745.db2.gz XOVUNIMTBDAYGH-INIZCTEOSA-N 1 0 328.460 3.089 20 10 EGCDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819039814 1319620399 /nfs/dbraw/zinc/62/03/99/1319620399.db2.gz UFRPSTABEWUGSC-FQEVSTJZSA-N 1 0 334.504 3.189 20 10 EGCDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819039815 1319621285 /nfs/dbraw/zinc/62/12/85/1319621285.db2.gz UFRPSTABEWUGSC-HXUWFJFHSA-N 1 0 334.504 3.189 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000819377969 1319713316 /nfs/dbraw/zinc/71/33/16/1319713316.db2.gz XVNAYOQPTAOESM-MGPUTAFESA-N 1 0 330.447 3.454 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000819377149 1319714122 /nfs/dbraw/zinc/71/41/22/1319714122.db2.gz NJVQVBFARVOSPC-DYESRHJHSA-N 1 0 326.484 3.185 20 10 EGCDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)[nH]c1C ZINC000823729899 1320201576 /nfs/dbraw/zinc/20/15/76/1320201576.db2.gz MNSWECNMQCOQHF-UHFFFAOYSA-N 1 0 341.455 3.172 20 10 EGCDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1cc(Br)ccc1O ZINC000824376592 1320252903 /nfs/dbraw/zinc/25/29/03/1320252903.db2.gz KTWKYJDPTODOKT-UHFFFAOYSA-N 1 0 336.233 3.055 20 10 EGCDRO Oc1cc(Br)ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000824632403 1320272836 /nfs/dbraw/zinc/27/28/36/1320272836.db2.gz HZXNTDZPRRMFJO-HNNXBMFYSA-N 1 0 339.277 3.215 20 10 EGCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000824708008 1320278920 /nfs/dbraw/zinc/27/89/20/1320278920.db2.gz CGICYFZLXWVXDP-YLJYHZDGSA-N 1 0 327.424 3.200 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1O ZINC000824844838 1320290576 /nfs/dbraw/zinc/29/05/76/1320290576.db2.gz DORWRKCFTVMDQY-HOCLYGCPSA-N 1 0 329.868 3.433 20 10 EGCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC000824856434 1320291758 /nfs/dbraw/zinc/29/17/58/1320291758.db2.gz XHZDYEPJEPVXDG-DLBZAZTESA-N 1 0 339.863 3.106 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000824953112 1320299665 /nfs/dbraw/zinc/29/96/65/1320299665.db2.gz HGQQRVKMQXJLKT-APWZRJJASA-N 1 0 328.412 3.196 20 10 EGCDRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000825070592 1320308242 /nfs/dbraw/zinc/30/82/42/1320308242.db2.gz HXNNHQBGLZPWBL-QGZVFWFLSA-N 1 0 342.483 3.499 20 10 EGCDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(Br)cc1O ZINC000825150690 1320315388 /nfs/dbraw/zinc/31/53/88/1320315388.db2.gz JVNNBKHKSPCCJD-QMMMGPOBSA-N 1 0 342.155 3.212 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000825175828 1320316970 /nfs/dbraw/zinc/31/69/70/1320316970.db2.gz JCWBNMURMSRCGR-UHFFFAOYSA-N 1 0 327.428 3.319 20 10 EGCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(Br)cc1O ZINC000825277699 1320323556 /nfs/dbraw/zinc/32/35/56/1320323556.db2.gz DNAGYKCCIZDDRQ-CQSZACIVSA-N 1 0 348.244 3.420 20 10 EGCDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000825326309 1320327321 /nfs/dbraw/zinc/32/73/21/1320327321.db2.gz MSLINYBYSZQIFI-AEFFLSMTSA-N 1 0 337.423 3.289 20 10 EGCDRO C[C@@]1([NH2+]Cc2ccc(Br)cc2O)CCO[C@@H]1C1CC1 ZINC000825500473 1320343283 /nfs/dbraw/zinc/34/32/83/1320343283.db2.gz CLZICQSDZIXYPI-HUUCEWRRSA-N 1 0 326.234 3.202 20 10 EGCDRO CCOC(=O)CN(Cc1ccc(Br)cc1O)C1CCC1 ZINC000825530052 1320345467 /nfs/dbraw/zinc/34/54/67/1320345467.db2.gz JFAWRPZHWNBUMQ-UHFFFAOYSA-N 1 0 342.233 3.072 20 10 EGCDRO CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C[C@@H](O)C(F)(F)F ZINC000825563460 1320347414 /nfs/dbraw/zinc/34/74/14/1320347414.db2.gz XSIRKCIDUDENLY-CQSZACIVSA-N 1 0 349.393 3.443 20 10 EGCDRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1O)C(=O)OC(C)(C)C ZINC000826534999 1320386387 /nfs/dbraw/zinc/38/63/87/1320386387.db2.gz ORFARUQADLHWRI-JTQLQIEISA-N 1 0 344.249 3.222 20 10 EGCDRO CC(C)(O)C1C[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000839139985 1320878681 /nfs/dbraw/zinc/87/86/81/1320878681.db2.gz MREHTMCRWCOFEM-UHFFFAOYSA-N 1 0 336.479 3.452 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCCNC2=O)cc1 ZINC000839195011 1320892951 /nfs/dbraw/zinc/89/29/51/1320892951.db2.gz DZKIJRINWTZDEU-MRXNPFEDSA-N 1 0 343.496 3.000 20 10 EGCDRO Cc1cc(C[NH2+]C(C)(C)CN2CCOCC2)ccc1N1CCCCC1 ZINC000839650781 1320950647 /nfs/dbraw/zinc/95/06/47/1320950647.db2.gz NEZIMCSCNQVLMH-UHFFFAOYSA-N 1 0 345.531 3.186 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000840929754 1321179417 /nfs/dbraw/zinc/17/94/17/1321179417.db2.gz WUMCMJGZAUEDAW-UHFFFAOYSA-N 1 0 337.467 3.478 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000840936989 1321181116 /nfs/dbraw/zinc/18/11/16/1321181116.db2.gz PTPHODZNAQCDCD-UHFFFAOYSA-N 1 0 333.476 3.018 20 10 EGCDRO COc1ccc(COCC[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840938062 1321181189 /nfs/dbraw/zinc/18/11/89/1321181189.db2.gz ZEKXYOKSCHCIID-UHFFFAOYSA-N 1 0 328.456 3.376 20 10 EGCDRO Oc1ccc(Br)cc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840953363 1321185498 /nfs/dbraw/zinc/18/54/98/1321185498.db2.gz LYFHQLZSXLESLA-UHFFFAOYSA-N 1 0 348.244 3.324 20 10 EGCDRO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975012 1321192135 /nfs/dbraw/zinc/19/21/35/1321192135.db2.gz BJEXNRYBDHJHDG-CYBMUJFWSA-N 1 0 334.895 3.477 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000840974495 1321192376 /nfs/dbraw/zinc/19/23/76/1321192376.db2.gz BVQSYWNJRXYMEE-UHFFFAOYSA-N 1 0 343.446 3.125 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1O ZINC000840978996 1321193309 /nfs/dbraw/zinc/19/33/09/1321193309.db2.gz QTCCCVLOASRXIO-VXGBXAGGSA-N 1 0 328.250 3.056 20 10 EGCDRO COC(=O)c1occc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840977901 1321193368 /nfs/dbraw/zinc/19/33/68/1321193368.db2.gz XSLDDVISZJGOKM-AWEZNQCLSA-N 1 0 330.428 3.161 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)CCCN4)cc2)CC1 ZINC000841037510 1321206036 /nfs/dbraw/zinc/20/60/36/1321206036.db2.gz ULAVFBOCVKNHMK-UHFFFAOYSA-N 1 0 336.483 3.409 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000841040850 1321207439 /nfs/dbraw/zinc/20/74/39/1321207439.db2.gz APFWFKCRZKRJEL-INIZCTEOSA-N 1 0 348.834 3.104 20 10 EGCDRO COc1ccc(Cl)cc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041528 1321207678 /nfs/dbraw/zinc/20/76/78/1321207678.db2.gz CWOJFVKMILVOIA-KRWDZBQOSA-N 1 0 333.863 3.204 20 10 EGCDRO Cc1cc(N(C)C)ccc1CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000841103784 1321218856 /nfs/dbraw/zinc/21/88/56/1321218856.db2.gz KTWVBENACKUOLA-AZUAARDMSA-N 1 0 327.447 3.127 20 10 EGCDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841302100 1321250793 /nfs/dbraw/zinc/25/07/93/1321250793.db2.gz LZEWGVIOSMSJRS-UHFFFAOYSA-N 1 0 338.455 3.363 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000841326583 1321257089 /nfs/dbraw/zinc/25/70/89/1321257089.db2.gz YLKIYVBEMPGTJM-UHFFFAOYSA-N 1 0 343.427 3.174 20 10 EGCDRO C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000841332838 1321258763 /nfs/dbraw/zinc/25/87/63/1321258763.db2.gz VBTZMXICALREPF-LBPRGKRZSA-N 1 0 329.400 3.003 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000841393652 1321267972 /nfs/dbraw/zinc/26/79/72/1321267972.db2.gz GLFQKLXRJLZECL-FQEVSTJZSA-N 1 0 339.483 3.370 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(=O)NCc1ccccc1 ZINC000841746059 1321305502 /nfs/dbraw/zinc/30/55/02/1321305502.db2.gz BVLRYMABUVIUCW-CHWSQXEVSA-N 1 0 332.831 3.401 20 10 EGCDRO C[C@H](CCC[NH3+])NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000841758057 1321307199 /nfs/dbraw/zinc/30/71/99/1321307199.db2.gz KCIWMQFMTZGVLS-MRXNPFEDSA-N 1 0 346.519 3.382 20 10 EGCDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Cl)ccc1O ZINC000841762075 1321308258 /nfs/dbraw/zinc/30/82/58/1321308258.db2.gz JXFUQQFWQOYPNH-LBPRGKRZSA-N 1 0 327.852 3.264 20 10 EGCDRO CCCN(Cc1ccccc1C(=O)N(C)C)c1ccc(C[NH3+])cc1 ZINC000841877649 1321325922 /nfs/dbraw/zinc/32/59/22/1321325922.db2.gz LEWMTCWEWDOFEE-UHFFFAOYSA-N 1 0 325.456 3.264 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)c1O ZINC000841888809 1321326561 /nfs/dbraw/zinc/32/65/61/1321326561.db2.gz RKXNQDBKRCMXDW-UHFFFAOYSA-N 1 0 333.350 3.334 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841893672 1321328007 /nfs/dbraw/zinc/32/80/07/1321328007.db2.gz HUHWGADSHNUARY-QGZVFWFLSA-N 1 0 332.394 3.488 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000841979965 1321333459 /nfs/dbraw/zinc/33/34/59/1321333459.db2.gz CAHIXELPJBAHNZ-UHFFFAOYSA-N 1 0 339.439 3.117 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)NCc1cccs1 ZINC000842911058 1321448573 /nfs/dbraw/zinc/44/85/73/1321448573.db2.gz WNMVAIPSNLEBEE-NHYWBVRUSA-N 1 0 336.432 3.338 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnn(Cc2ccccc2)c1 ZINC000843057475 1321463733 /nfs/dbraw/zinc/46/37/33/1321463733.db2.gz OLNGPFIHBRYGCG-UHFFFAOYSA-N 1 0 332.451 3.343 20 10 EGCDRO C[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000843346677 1321502774 /nfs/dbraw/zinc/50/27/74/1321502774.db2.gz GFGQXQCIMIXGAC-HNNXBMFYSA-N 1 0 337.427 3.334 20 10 EGCDRO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350471 1321504253 /nfs/dbraw/zinc/50/42/53/1321504253.db2.gz RRHCQFFUGMLXDC-LBPRGKRZSA-N 1 0 345.393 3.203 20 10 EGCDRO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350221 1321504456 /nfs/dbraw/zinc/50/44/56/1321504456.db2.gz PTZDWVWPCRRFHG-INIZCTEOSA-N 1 0 337.467 3.118 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1O ZINC000843378565 1321508512 /nfs/dbraw/zinc/50/85/12/1321508512.db2.gz FWTULIVHLPJUPX-SFHVURJKSA-N 1 0 346.377 3.020 20 10 EGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccccc3N)c2)CC1 ZINC000843492634 1321523074 /nfs/dbraw/zinc/52/30/74/1321523074.db2.gz UMESTXGJWPNJEQ-UHFFFAOYSA-N 1 0 338.455 3.052 20 10 EGCDRO C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000844925028 1321658217 /nfs/dbraw/zinc/65/82/17/1321658217.db2.gz PBAWWRAAWPVAHF-JTQLQIEISA-N 1 0 345.256 3.334 20 10 EGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000845926036 1321754244 /nfs/dbraw/zinc/75/42/44/1321754244.db2.gz OAWTUAQGGNBBAX-LJQANCHMSA-N 1 0 348.531 3.436 20 10 EGCDRO CCc1oc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1C(=O)OC ZINC000845970966 1321760232 /nfs/dbraw/zinc/76/02/32/1321760232.db2.gz GGBDJSYOKGRZGP-NSHDSACASA-N 1 0 333.384 3.194 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCCc3ccccc32)c1O ZINC000846144952 1321771591 /nfs/dbraw/zinc/77/15/91/1321771591.db2.gz LETMNUZIEWIJKR-XOBRGWDASA-N 1 0 327.424 3.276 20 10 EGCDRO COC(=O)c1cnc([C@H](C)N[C@H](C)c2cccc(OC)c2O)s1 ZINC000846171370 1321773644 /nfs/dbraw/zinc/77/36/44/1321773644.db2.gz FZAKGHBNZAUGDJ-ZJUUUORDSA-N 1 0 336.413 3.056 20 10 EGCDRO COc1ccc(N2CC[NH+](CCc3cccs3)CC2)c(OC)c1 ZINC000846746202 1321804433 /nfs/dbraw/zinc/80/44/33/1321804433.db2.gz TXMHONGLQACDOF-UHFFFAOYSA-N 1 0 332.469 3.130 20 10 EGCDRO CCN(C)c1ccc(CN(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000846942069 1321826662 /nfs/dbraw/zinc/82/66/62/1321826662.db2.gz MCJPQENVWBWLBS-UHFFFAOYSA-N 1 0 326.488 3.102 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848392824 1321956929 /nfs/dbraw/zinc/95/69/29/1321956929.db2.gz HRSFJBNYFLWSBA-FPOVZHCZSA-N 1 0 341.499 3.025 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccccn3)CC2)cc1 ZINC000848565863 1321977111 /nfs/dbraw/zinc/97/71/11/1321977111.db2.gz UGVGQVIGLGQHNC-INIZCTEOSA-N 1 0 325.456 3.280 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848575980 1321979169 /nfs/dbraw/zinc/97/91/69/1321979169.db2.gz YRWDVNITKUBJAW-HUUCEWRRSA-N 1 0 339.277 3.261 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1O ZINC000848880889 1322027091 /nfs/dbraw/zinc/02/70/91/1322027091.db2.gz UBVJNTXDVNRTFO-UHFFFAOYSA-N 1 0 330.472 3.179 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2OC)c1O ZINC000848894875 1322034453 /nfs/dbraw/zinc/03/44/53/1322034453.db2.gz PVSHCSCMMKOLQX-UHFFFAOYSA-N 1 0 331.412 3.270 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c1O ZINC000848915560 1322044955 /nfs/dbraw/zinc/04/49/55/1322044955.db2.gz XLYQQTFTNFEHBR-SQNIBIBYSA-N 1 0 343.471 3.438 20 10 EGCDRO COc1cc(C[NH2+]C2CCC3(CC2)OCCO3)c(O)c(C(C)(C)C)c1 ZINC000850035483 1322186127 /nfs/dbraw/zinc/18/61/27/1322186127.db2.gz VUURWTZYRFXQEF-UHFFFAOYSA-N 1 0 349.471 3.474 20 10 EGCDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850096917 1322192085 /nfs/dbraw/zinc/19/20/85/1322192085.db2.gz RUSPXDZKYBCBKY-OLZOCXBDSA-N 1 0 336.476 3.091 20 10 EGCDRO Cc1c[nH]c(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000850163499 1322201557 /nfs/dbraw/zinc/20/15/57/1322201557.db2.gz FUCLAWVOVNHOTD-CYBMUJFWSA-N 1 0 336.386 3.078 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850181328 1322202708 /nfs/dbraw/zinc/20/27/08/1322202708.db2.gz SGKCZTXIDTVKSK-RTBURBONSA-N 1 0 341.451 3.446 20 10 EGCDRO CSCC1(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000850355813 1322233925 /nfs/dbraw/zinc/23/39/25/1322233925.db2.gz KTUMORBQWKGYSL-UHFFFAOYSA-N 1 0 338.492 3.285 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cc(F)cc(F)c3)cc2)CC1 ZINC000850405825 1322240228 /nfs/dbraw/zinc/24/02/28/1322240228.db2.gz GICCQXLKPVZTGT-UHFFFAOYSA-N 1 0 332.394 3.216 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4ncccc4c3)cc2)CC1 ZINC000850404565 1322241169 /nfs/dbraw/zinc/24/11/69/1322241169.db2.gz ATEPNPZHXZMXIG-UHFFFAOYSA-N 1 0 347.462 3.486 20 10 EGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc(Cl)ccc1O ZINC000850531791 1322262101 /nfs/dbraw/zinc/26/21/01/1322262101.db2.gz NOZMDNHYXFKHFT-GFCCVEGCSA-N 1 0 345.892 3.444 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000850556752 1322266473 /nfs/dbraw/zinc/26/64/73/1322266473.db2.gz JBAPUGWPTPVTBS-UZLBHIALSA-N 1 0 331.504 3.047 20 10 EGCDRO CNC(=O)CC1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCCCC1 ZINC000850560489 1322268282 /nfs/dbraw/zinc/26/82/82/1322268282.db2.gz FKLHGTHCQUMLFW-MRXNPFEDSA-N 1 0 331.504 3.490 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)CC1 ZINC000850567486 1322269988 /nfs/dbraw/zinc/26/99/88/1322269988.db2.gz DDXICFCQOPJFBC-FQEVSTJZSA-N 1 0 344.499 3.087 20 10 EGCDRO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922083710 1322451328 /nfs/dbraw/zinc/45/13/28/1322451328.db2.gz IENORSAMJZQWMD-UHFFFAOYSA-N 1 0 339.439 3.395 20 10 EGCDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922124031 1322460128 /nfs/dbraw/zinc/46/01/28/1322460128.db2.gz SLYIYYRHVOGWAV-UHFFFAOYSA-N 1 0 326.396 3.480 20 10 EGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000922427632 1322527020 /nfs/dbraw/zinc/52/70/20/1322527020.db2.gz DHVOKQZJNLFIOX-UHFFFAOYSA-N 1 0 327.350 3.323 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC2CC3(C2)OCCO3)c(C(F)(F)F)c1 ZINC000922797856 1322620076 /nfs/dbraw/zinc/62/00/76/1322620076.db2.gz NDFHCPPBFGFNAS-UHFFFAOYSA-N 1 0 344.377 3.014 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H](C)C3CC3)C2)cc1C ZINC001023918524 1323025129 /nfs/dbraw/zinc/02/51/29/1323025129.db2.gz OIXVTJCEGYOOFY-FUHWJXTLSA-N 1 0 344.499 3.378 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)ccc1N1CCCCC1 ZINC000852497227 1323199032 /nfs/dbraw/zinc/19/90/32/1323199032.db2.gz UNXMYWNBPRSKQV-OALUTQOASA-N 1 0 341.499 3.086 20 10 EGCDRO CN(C(=O)CC[NH2+]CCCSc1nccs1)c1ccccc1 ZINC000853099959 1323281019 /nfs/dbraw/zinc/28/10/19/1323281019.db2.gz WIHDHWFVZGNUAV-UHFFFAOYSA-N 1 0 335.498 3.268 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)cc1C ZINC001026680124 1324971311 /nfs/dbraw/zinc/97/13/11/1324971311.db2.gz RJWUMYINMKBBLY-MOPGFXCFSA-N 1 0 342.483 3.298 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854314216 1325243507 /nfs/dbraw/zinc/24/35/07/1325243507.db2.gz GPJCBOPTXIBLSF-MRXNPFEDSA-N 1 0 333.476 3.187 20 10 EGCDRO CCOc1cncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000857012117 1325554380 /nfs/dbraw/zinc/55/43/80/1325554380.db2.gz WTIVKMLJFALBPG-SFHVURJKSA-N 1 0 342.439 3.367 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000857062314 1325565378 /nfs/dbraw/zinc/56/53/78/1325565378.db2.gz ZYUMTBGGUBNBKS-NVXWUHKLSA-N 1 0 347.459 3.035 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000926919789 1327776053 /nfs/dbraw/zinc/77/60/53/1327776053.db2.gz FLKUOHFYAOQJDA-RYUDHWBXSA-N 1 0 332.366 3.078 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000927000928 1327814357 /nfs/dbraw/zinc/81/43/57/1327814357.db2.gz NJHFJTURZOWXHO-CHWSQXEVSA-N 1 0 336.432 3.061 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccccc3C)C2)cc1C ZINC000966564130 1328341213 /nfs/dbraw/zinc/34/12/13/1328341213.db2.gz XIBCTTBAWQBIQD-GOSISDBHSA-N 1 0 338.451 3.316 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000862251040 1329471393 /nfs/dbraw/zinc/47/13/93/1329471393.db2.gz ZCUGXGITJFKKCL-RYUDHWBXSA-N 1 0 326.234 3.013 20 10 EGCDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862379041 1329480346 /nfs/dbraw/zinc/48/03/46/1329480346.db2.gz GXGIQGUNOCCUON-GOSISDBHSA-N 1 0 326.431 3.261 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000862476112 1329489675 /nfs/dbraw/zinc/48/96/75/1329489675.db2.gz IYFYKCVHJVXBCW-UHFFFAOYSA-N 1 0 341.411 3.367 20 10 EGCDRO C[C@@H](C[N@H+](C)Cc1cc(Cl)ccc1O)NC(=O)OC(C)(C)C ZINC000862540404 1329494212 /nfs/dbraw/zinc/49/42/12/1329494212.db2.gz DYPJONQWAKHGNO-NSHDSACASA-N 1 0 328.840 3.391 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)ccc1OC ZINC000865674005 1329727998 /nfs/dbraw/zinc/72/79/98/1329727998.db2.gz FCHGBUHXEPTIKT-HNNXBMFYSA-N 1 0 337.460 3.111 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000865683507 1329728995 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1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C=C3CCC3)C2)cc1C ZINC001047798552 1347375734 /nfs/dbraw/zinc/37/57/34/1347375734.db2.gz ISHGXYCJHRHQGN-VQIMIIECSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@H]2C)cc1C ZINC001048195113 1347489869 /nfs/dbraw/zinc/48/98/69/1347489869.db2.gz CPMUSQCHZTUKDG-DDOBUIPCSA-N 1 0 342.483 3.154 20 10 EGCDRO C/C=C(/C)C(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001048207748 1347494660 /nfs/dbraw/zinc/49/46/60/1347494660.db2.gz COZMWKJOXWKQFL-SGFKISJESA-N 1 0 330.472 3.154 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3occc3C)C[C@@H]2C)cc1C ZINC001054388677 1349345482 /nfs/dbraw/zinc/34/54/82/1349345482.db2.gz WQFZYJIXKCLIGA-DOTOQJQBSA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)/C=C(/C)C3CC3)C[C@H]2C)cc1C ZINC001054449096 1349362548 /nfs/dbraw/zinc/36/25/48/1349362548.db2.gz OGZZNFHEHZBWGY-KVKNFZTHSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(F)=C(C)C)C[C@H]2C)cc1C ZINC001054559530 1349398559 /nfs/dbraw/zinc/39/85/59/1349398559.db2.gz KEIDRCFMEJGWRG-ZBFHGGJFSA-N 1 0 334.435 3.204 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cocc3C)C[C@H]2C)cc1C ZINC001054981929 1349536866 /nfs/dbraw/zinc/53/68/66/1349536866.db2.gz QGJDAUZYODWVDB-KDOFPFPSSA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(C)CC3)CC[C@H]2C)cc1C ZINC001072291485 1355223171 /nfs/dbraw/zinc/22/31/71/1355223171.db2.gz BGAXEAWKPZTIOH-CRAIPNDOSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(C)CC3)C23CCC3)cc1C ZINC001078630065 1357041779 /nfs/dbraw/zinc/04/17/79/1357041779.db2.gz SNHUWLASQYHIIR-ROUUACIJSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]3(C)C=CCC3)C[C@H]2C)cc1C ZINC001082689055 1358073837 /nfs/dbraw/zinc/07/38/37/1358073837.db2.gz YMWSGJCBDHAFAE-HGHGUNKESA-N 1 0 342.483 3.296 20 10 EGCDRO CC[C@@]1(C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086520498 1359128437 /nfs/dbraw/zinc/12/84/37/1359128437.db2.gz GFJYTWGCIRYTAL-NTLWEQJWSA-N 1 0 344.499 3.424 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC001323828953 1387468448 /nfs/dbraw/zinc/46/84/48/1387468448.db2.gz DOTZODBMNOHSHH-FRFSOERESA-N 1 0 345.414 3.418 20 10 EGCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccoc3C)C2)cc1C ZINC001090919202 1360954136 /nfs/dbraw/zinc/95/41/36/1360954136.db2.gz HSOAYPWMPZMFNV-UHFFFAOYSA-N 1 0 342.439 3.203 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC001323991638 1387505338 /nfs/dbraw/zinc/50/53/38/1387505338.db2.gz RAWRJBLZDMFRIE-QKYXUNIQSA-N 1 0 349.494 3.186 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C2(C)CC2)C3)cc1C ZINC001094926094 1361947063 /nfs/dbraw/zinc/94/70/63/1361947063.db2.gz IDIPKNXCDJHKHZ-KSZLIROESA-N 1 0 342.483 3.273 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1F ZINC001324441100 1387624328 /nfs/dbraw/zinc/62/43/28/1387624328.db2.gz GSWHHWOSMZPKRF-UHFFFAOYSA-N 1 0 343.446 3.403 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC001324760063 1387762121 /nfs/dbraw/zinc/76/21/21/1387762121.db2.gz HANWENXORFRNMA-NVXWUHKLSA-N 1 0 347.499 3.347 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 ZINC001324964363 1387857468 /nfs/dbraw/zinc/85/74/68/1387857468.db2.gz GQRXTRDCSSTFOW-KYNGSXCRSA-N 1 0 327.476 3.172 20 10 EGCDRO CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194368619 1368246435 /nfs/dbraw/zinc/24/64/35/1368246435.db2.gz VMBJTOWWAPWZLD-CJNGLKHVSA-N 1 0 345.447 3.041 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC(C)(C)S(C)(=O)=O ZINC001325289351 1387929544 /nfs/dbraw/zinc/92/95/44/1387929544.db2.gz ONQMSHYFIBMOLH-STQMWFEESA-N 1 0 325.474 3.052 20 10 EGCDRO COc1cccc(C[N@H+](C)Cc2ncccc2C(F)(F)F)c1O ZINC001203589030 1370180729 /nfs/dbraw/zinc/18/07/29/1370180729.db2.gz BDZPKDNGTIGVQR-UHFFFAOYSA-N 1 0 326.318 3.447 20 10 EGCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)n1 ZINC001203596629 1370182777 /nfs/dbraw/zinc/18/27/77/1370182777.db2.gz MNMGAOCVYRAKBZ-AWEZNQCLSA-N 1 0 331.416 3.116 20 10 EGCDRO CCOc1cccc(C[NH+]2CCC(c3nnc(CC)o3)CC2)c1O ZINC001203614333 1370188104 /nfs/dbraw/zinc/18/81/04/1370188104.db2.gz XLZZKPJCTYMSNB-UHFFFAOYSA-N 1 0 331.416 3.116 20 10 EGCDRO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(O)c1 ZINC001203621315 1370190001 /nfs/dbraw/zinc/19/00/01/1370190001.db2.gz SRAWEWKWQGYXPM-OAHLLOKOSA-N 1 0 344.430 3.246 20 10 EGCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203656780 1370203341 /nfs/dbraw/zinc/20/33/41/1370203341.db2.gz XQYFWLUWHNOKEG-KBXCAEBGSA-N 1 0 339.863 3.453 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1c1ccccc1 ZINC001203665833 1370208162 /nfs/dbraw/zinc/20/81/62/1370208162.db2.gz XDBJUQUEDIZAQI-SJORKVTESA-N 1 0 345.826 3.434 20 10 EGCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665797 1370208653 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Cc1c(O)ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1O ZINC001140749280 1378129127 /nfs/dbraw/zinc/12/91/27/1378129127.db2.gz VAZJVNUFZOARNQ-UHFFFAOYSA-N 1 0 346.858 3.377 20 10 EGCDRO CCN(CC)c1ccc(CN2CCC([NH+]3CCCC3)CC2)c(O)c1 ZINC001140851485 1378158037 /nfs/dbraw/zinc/15/80/37/1378158037.db2.gz JRAWEDZHLMZJTO-UHFFFAOYSA-N 1 0 331.504 3.299 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)c(O)c1 ZINC001140857075 1378159843 /nfs/dbraw/zinc/15/98/43/1378159843.db2.gz LKUWTRMTEKWQGF-HXUWFJFHSA-N 1 0 341.455 3.207 20 10 EGCDRO COc1ccc(CN2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC001140949677 1378190663 /nfs/dbraw/zinc/19/06/63/1378190663.db2.gz HVHVODLGKHZQLD-UHFFFAOYSA-N 1 0 326.440 3.027 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(O)c1 ZINC001140954305 1378191425 /nfs/dbraw/zinc/19/14/25/1378191425.db2.gz PHTCEKAEBBBJBJ-MRXNPFEDSA-N 1 0 342.414 3.234 20 10 EGCDRO CN1CCOc2cc(C[NH+]3CCC(C(=O)OC(C)(C)C)CC3)ccc21 ZINC001141143413 1378248306 /nfs/dbraw/zinc/24/83/06/1378248306.db2.gz YFNOSYSPMWDAAK-UHFFFAOYSA-N 1 0 346.471 3.069 20 10 EGCDRO CN1CCC([N@H+](Cc2ccc3c(c2)OCCN3C)C2CCCC2)CC1 ZINC001141146080 1378248531 /nfs/dbraw/zinc/24/85/31/1378248531.db2.gz JTLPMJRCPOZBQO-UHFFFAOYSA-N 1 0 343.515 3.354 20 10 EGCDRO CN1CCOc2cc(C[N@H+](C)CCCC(=O)c3cccnc3)ccc21 ZINC001141143535 1378248878 /nfs/dbraw/zinc/24/88/78/1378248878.db2.gz CUSCOHXJBUWLCU-UHFFFAOYSA-N 1 0 339.439 3.005 20 10 EGCDRO COc1ccccc1[C@H](O)C[N@H+](Cc1cc(O)ccc1O)C(C)C ZINC001141160764 1378254549 /nfs/dbraw/zinc/25/45/49/1378254549.db2.gz HRFJHQUFMKGTIH-GOSISDBHSA-N 1 0 331.412 3.050 20 10 EGCDRO Cn1c2ccccc2nc1C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160990 1378254788 /nfs/dbraw/zinc/25/47/88/1378254788.db2.gz MFZNSEJZAYKDNX-UHFFFAOYSA-N 1 0 337.423 3.364 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])CC[C@]1(C)O ZINC001141367772 1378311373 /nfs/dbraw/zinc/31/13/73/1378311373.db2.gz PNKOTILHLBWJRS-OTYXRUKQSA-N 1 0 348.668 3.401 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001142524953 1378453394 /nfs/dbraw/zinc/45/33/94/1378453394.db2.gz QXOBXSPICVMESP-CALCHBBNSA-N 1 0 344.405 3.234 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCN(c3ccccn3)CC2)c1O ZINC001143101279 1378539557 /nfs/dbraw/zinc/53/95/57/1378539557.db2.gz DVBVMIJWXPTLCS-UHFFFAOYSA-N 1 0 325.456 3.407 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1O ZINC001143104054 1378540965 /nfs/dbraw/zinc/54/09/65/1378540965.db2.gz OSSAUVKKWWJLDV-OCCSQVGLSA-N 1 0 331.378 3.292 20 10 EGCDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001143104912 1378541054 /nfs/dbraw/zinc/54/10/54/1378541054.db2.gz HNTZJPKIGSFVQJ-HXUWFJFHSA-N 1 0 330.472 3.277 20 10 EGCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)CC[C@H]21 ZINC001143117124 1378542906 /nfs/dbraw/zinc/54/29/06/1378542906.db2.gz USKMSFKYFAHGAT-WMLDXEAASA-N 1 0 330.472 3.132 20 10 EGCDRO CCOc1ccc(N2CC[NH+](Cc3ccc4cc[nH]c4n3)CC2)cc1 ZINC001144188278 1378695502 /nfs/dbraw/zinc/69/55/02/1378695502.db2.gz USLYAUYRGWYUII-UHFFFAOYSA-N 1 0 336.439 3.284 20 10 EGCDRO COc1ccc(N2CCN(Cc3nc(C)c(C)s3)CC2)c(C)c1 ZINC001144375374 1378721810 /nfs/dbraw/zinc/72/18/10/1378721810.db2.gz QUSKMRSSSHTSOJ-UHFFFAOYSA-N 1 0 331.485 3.399 20 10 EGCDRO Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509448 1378739865 /nfs/dbraw/zinc/73/98/65/1378739865.db2.gz WVAXJPYTSOJTPN-OAHLLOKOSA-N 1 0 329.396 3.155 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)Cc2ccccc2)cc1C ZINC001151831720 1379791325 /nfs/dbraw/zinc/79/13/25/1379791325.db2.gz KMISYTBDNJPAJA-KRWDZBQOSA-N 1 0 340.467 3.088 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2coc3ccccc23)cc1C ZINC001153544086 1380090462 /nfs/dbraw/zinc/09/04/62/1380090462.db2.gz JTRRAHVWDIPJTJ-UHFFFAOYSA-N 1 0 338.407 3.269 20 10 EGCDRO C[NH+]1CCN(c2cccc(NCc3cc4ccccc4cc3O)n2)CC1 ZINC001160206489 1382033839 /nfs/dbraw/zinc/03/38/39/1382033839.db2.gz JQLSFLAJYABIAZ-UHFFFAOYSA-N 1 0 348.450 3.304 20 10 EGCDRO [NH3+]CCOc1cccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001160263724 1382054169 /nfs/dbraw/zinc/05/41/69/1382054169.db2.gz DREBVFUUZBQLDM-UHFFFAOYSA-N 1 0 333.391 3.394 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC(C)(C)C2)cc1C ZINC001166200386 1383401031 /nfs/dbraw/zinc/40/10/31/1383401031.db2.gz PNDDPKGLYZZDOM-QGZVFWFLSA-N 1 0 332.488 3.426 20 10 EGCDRO C[C@@H]1CCCCN1c1cccc(NCCc2cc(O)c(O)cc2O)[nH+]1 ZINC001168008606 1383796244 /nfs/dbraw/zinc/79/62/44/1383796244.db2.gz CGHPTYXWRQDJOV-CYBMUJFWSA-N 1 0 343.427 3.232 20 10 EGCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC001168242934 1383852036 /nfs/dbraw/zinc/85/20/36/1383852036.db2.gz FGWMNSDMRMQGKJ-OAHLLOKOSA-N 1 0 348.240 3.420 20 10 EGCDRO COc1ccc([C@H]2C[C@H]([NH2+]CCc3ccc(O)c(O)c3)CCO2)cc1 ZINC001168594571 1383944191 /nfs/dbraw/zinc/94/41/91/1383944191.db2.gz IAVKJUFXKHBKPK-OXQOHEQNSA-N 1 0 343.423 3.159 20 10 EGCDRO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001168828235 1384022796 /nfs/dbraw/zinc/02/27/96/1384022796.db2.gz FPSOEEFFAVCIDI-CABCVRRESA-N 1 0 334.460 3.497 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)c2ccc[nH]2)cc1C ZINC001169133052 1384111723 /nfs/dbraw/zinc/11/17/23/1384111723.db2.gz QOKNMKKYMKOJGL-INIZCTEOSA-N 1 0 343.471 3.410 20 10 EGCDRO Oc1cc2ccccc2cc1CNc1cc[nH+]c(N2CCOCC2)c1 ZINC001171402229 1384513207 /nfs/dbraw/zinc/51/32/07/1384513207.db2.gz JOSFICQJTVABJA-UHFFFAOYSA-N 1 0 335.407 3.389 20 10 EGCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1O ZINC001172530938 1384809169 /nfs/dbraw/zinc/80/91/69/1384809169.db2.gz FHZBBPIXPRJHST-MDYRTPRTSA-N 1 0 327.424 3.447 20 10 EGCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001172590012 1384815795 /nfs/dbraw/zinc/81/57/95/1384815795.db2.gz CDMCPPRVJOMOTI-ZWKOTPCHSA-N 1 0 330.472 3.498 20 10 EGCDRO C[N@@H+]1CCC=C(Nc2ccc(OCCOc3ccc(N)cc3)cc2)C1 ZINC001175578748 1385337844 /nfs/dbraw/zinc/33/78/44/1385337844.db2.gz OQKSOYHXBDIAOI-UHFFFAOYSA-N 1 0 339.439 3.358 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H](C)C1 ZINC001318565814 1385759833 /nfs/dbraw/zinc/75/98/33/1385759833.db2.gz CSTFTKNXONHMDV-GPMSIDNRSA-N 1 0 333.495 3.492 20 10 EGCDRO C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cc(Cl)ccc1O ZINC001320133040 1386530225 /nfs/dbraw/zinc/53/02/25/1386530225.db2.gz MSFDTLBXTMSMHO-GFCCVEGCSA-N 1 0 346.814 3.122 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001320248340 1386562969 /nfs/dbraw/zinc/56/29/69/1386562969.db2.gz TUFPAGJTXOIGOL-VQHPVUNQSA-N 1 0 332.488 3.338 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1O ZINC001320302680 1386571440 /nfs/dbraw/zinc/57/14/40/1386571440.db2.gz OEAQUPQRHSYVFW-JTQLQIEISA-N 1 0 329.824 3.264 20 10 EGCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[NH2+]C(C)(C)C)cc1 ZINC001321475011 1386913096 /nfs/dbraw/zinc/91/30/96/1386913096.db2.gz FTQMHQYSCCPOPP-UHFFFAOYSA-N 1 0 343.471 3.263 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCc2ccccc2O)c1 ZINC001321683377 1386955961 /nfs/dbraw/zinc/95/59/61/1386955961.db2.gz QGSXFCJBAMQDPD-LJQANCHMSA-N 1 0 338.451 3.372 20 10 EGCDRO Cc1cccc(NCC[NH2+]Cc2c(O)cccc2Br)n1 ZINC001332275276 1390073882 /nfs/dbraw/zinc/07/38/82/1390073882.db2.gz UOZTZEXGNDWMJJ-UHFFFAOYSA-N 1 0 336.233 3.060 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 ZINC001341200386 1390455222 /nfs/dbraw/zinc/45/52/22/1390455222.db2.gz FHLQPJAJISKNAU-HXUWFJFHSA-N 1 0 328.431 3.423 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC(c3ccc(C)cc3)=NO2)c1O ZINC001334384141 1390529493 /nfs/dbraw/zinc/52/94/93/1390529493.db2.gz LCTDNCJVYHWYSE-KRWDZBQOSA-N 1 0 340.423 3.382 20 10 EGCDRO Nc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC001334775159 1390586652 /nfs/dbraw/zinc/58/66/52/1390586652.db2.gz UNAPBJIOHDYHCB-UHFFFAOYSA-N 1 0 333.439 3.434 20 10 EGCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCC3(F)F)cc2F)CC1 ZINC001344074415 1390754060 /nfs/dbraw/zinc/75/40/60/1390754060.db2.gz HQRZTHLITSHDRT-OAHLLOKOSA-N 1 0 341.421 3.103 20 10 EGCDRO Nc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC001345159834 1390842245 /nfs/dbraw/zinc/84/22/45/1390842245.db2.gz NVBNMSVWVRNOOM-UHFFFAOYSA-N 1 0 335.249 3.065 20 10 EGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Br)cc1O ZINC001347392521 1391067551 /nfs/dbraw/zinc/06/75/51/1391067551.db2.gz SYDXUCAIWZTDTG-SNVBAGLBSA-N 1 0 344.249 3.365 20 10 EGCDRO COc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)c(O)c1OC ZINC001351974086 1391733082 /nfs/dbraw/zinc/73/30/82/1391733082.db2.gz AGYYDUYWZAHGSO-UHFFFAOYSA-N 1 0 342.439 3.168 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2occc2C)cc1C ZINC001753003427 1440265156 /nfs/dbraw/zinc/26/51/56/1440265156.db2.gz PKSRAUVWWMEPML-OAHLLOKOSA-N 1 0 330.428 3.203 20 10 EGCDRO CC[C@@H](CNC(=O)[C@@H]1CC=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753467660 1440413239 /nfs/dbraw/zinc/41/32/39/1440413239.db2.gz WQBJETTULFAZGX-MSOLQXFVSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+]C[C@](C)(NC(=O)CC2CC2)C2CC2)cc1C ZINC001753512563 1440426406 /nfs/dbraw/zinc/42/64/06/1440426406.db2.gz XEXFPPKOMKLWNU-FQEVSTJZSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccccc2)cc1C ZINC001753613631 1440449408 /nfs/dbraw/zinc/44/94/08/1440449408.db2.gz KBNVUTRBECRREV-OAHLLOKOSA-N 1 0 326.440 3.159 20 10 EGCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001754403008 1440595423 /nfs/dbraw/zinc/59/54/23/1440595423.db2.gz UYKZVIDYVODJNW-RBUKOAKNSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2ccoc2)cc1C ZINC001755229689 1440786700 /nfs/dbraw/zinc/78/67/00/1440786700.db2.gz DSQOYGZQQZXMBB-HOTGVXAUSA-N 1 0 344.455 3.212 20 10 EGCDRO CCn1cccc1C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001755272115 1440797964 /nfs/dbraw/zinc/79/79/64/1440797964.db2.gz YVMBZBQQXFIFIH-HOTGVXAUSA-N 1 0 343.471 3.122 20 10 EGCDRO CCc1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)c1O ZINC000877830673 1126123167 /nfs/dbraw/zinc/12/31/67/1126123167.db2.gz KKFIISZGKWIZDW-HXUWFJFHSA-N 1 0 329.440 3.047 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]Cc2cccnc2C)c1O ZINC000527790672 312941182 /nfs/dbraw/zinc/94/11/82/312941182.db2.gz IZJABXLGVCNFSW-UHFFFAOYSA-N 1 0 337.217 3.157 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@H](O)c1ccccc1F)C[C@H]1CCCO1 ZINC000264730252 455271721 /nfs/dbraw/zinc/27/17/21/455271721.db2.gz QWOJCCYEAYPPHI-UZLBHIALSA-N 1 0 345.414 3.246 20 10 EGCDRO Oc1ccc(F)cc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190026796 455273539 /nfs/dbraw/zinc/27/35/39/455273539.db2.gz LJOICJVDUHKSBF-UHFFFAOYSA-N 1 0 337.341 3.293 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cc1 ZINC000089546646 454161629 /nfs/dbraw/zinc/16/16/29/454161629.db2.gz OPJWCKRRTUJSNU-OAHLLOKOSA-N 1 0 325.456 3.135 20 10 EGCDRO CC(C)N(C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC000070976191 454191150 /nfs/dbraw/zinc/19/11/50/454191150.db2.gz ROPNMEPDDKNRLK-GOSISDBHSA-N 1 0 348.487 3.019 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078524149 454268911 /nfs/dbraw/zinc/26/89/11/454268911.db2.gz CAJYMHQSZQTZLB-GOSISDBHSA-N 1 0 346.519 3.014 20 10 EGCDRO O=C(CC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCCC1 ZINC000092056182 454510987 /nfs/dbraw/zinc/51/09/87/454510987.db2.gz CSMNNISQHOBJIF-UHFFFAOYSA-N 1 0 336.863 3.270 20 10 EGCDRO c1cn(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000092069748 454514817 /nfs/dbraw/zinc/51/48/17/454514817.db2.gz BWBWDJGODYJAKF-LJQANCHMSA-N 1 0 339.487 3.181 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCC)C2)c(O)c1 ZINC000092708539 454616211 /nfs/dbraw/zinc/61/62/11/454616211.db2.gz LFULHDLTAMCISP-INIZCTEOSA-N 1 0 334.460 3.062 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1 ZINC000092740582 454622601 /nfs/dbraw/zinc/62/26/01/454622601.db2.gz GAROZFZWGWQVJF-INIZCTEOSA-N 1 0 325.456 3.141 20 10 EGCDRO COc1ccc(N2CCC(Nc3cncc(OC(C)C)n3)CC2)cc1 ZINC000123467539 454642132 /nfs/dbraw/zinc/64/21/32/454642132.db2.gz GCJUDNDJHZKACW-UHFFFAOYSA-N 1 0 342.443 3.353 20 10 EGCDRO COCCOC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093339344 454704186 /nfs/dbraw/zinc/70/41/86/454704186.db2.gz COQWZRPACGWPMQ-UHFFFAOYSA-N 1 0 332.488 3.304 20 10 EGCDRO COc1cccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000093889628 454744413 /nfs/dbraw/zinc/74/44/13/454744413.db2.gz VHDACGZBHQZVCV-ZAMGYDSWSA-N 1 0 333.453 3.331 20 10 EGCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000162040945 454748009 /nfs/dbraw/zinc/74/80/09/454748009.db2.gz CIUMAJQQOUGLBM-JOQQVMPUSA-N 1 0 348.462 3.126 20 10 EGCDRO COCC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000124643614 454755981 /nfs/dbraw/zinc/75/59/81/454755981.db2.gz GYKRHSAXEWAMER-KGLIPLIRSA-N 1 0 328.403 3.271 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cc(F)ccc2O)N(C)C)c1 ZINC000176980339 454806807 /nfs/dbraw/zinc/80/68/07/454806807.db2.gz ZCGULYVWPAOIKV-ACJLOTCBSA-N 1 0 332.419 3.493 20 10 EGCDRO CCc1noc(C)c1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000163068048 454820915 /nfs/dbraw/zinc/82/09/15/454820915.db2.gz CMRNKGYWJQIBOQ-UHFFFAOYSA-N 1 0 329.444 3.266 20 10 EGCDRO CCOC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177172412 454832401 /nfs/dbraw/zinc/83/24/01/454832401.db2.gz XUPIASMJPMUBNE-ZDUSSCGKSA-N 1 0 325.836 3.497 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](CCO)CC(C)C)CC2)cc1 ZINC000154647938 454915561 /nfs/dbraw/zinc/91/55/61/454915561.db2.gz VYJMXSBTURVBSQ-QGZVFWFLSA-N 1 0 334.504 3.298 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1F ZINC000113341524 454924429 /nfs/dbraw/zinc/92/44/29/454924429.db2.gz AHFYRHOARJDNLG-UHFFFAOYSA-N 1 0 349.494 3.016 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)n1-c1ccccc1C ZINC000113455551 454926989 /nfs/dbraw/zinc/92/69/89/454926989.db2.gz VTXZMFYKUPYQQX-SFHVURJKSA-N 1 0 339.483 3.426 20 10 EGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000184978892 455480549 /nfs/dbraw/zinc/48/05/49/455480549.db2.gz AGTLAZJRIXJZNC-NSHDSACASA-N 1 0 338.249 3.470 20 10 EGCDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178490796 454956813 /nfs/dbraw/zinc/95/68/13/454956813.db2.gz IDWDAOITDSXNBB-CVEARBPZSA-N 1 0 347.478 3.478 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Cl)c1ccc(F)cc1F ZINC000114509289 454958864 /nfs/dbraw/zinc/95/88/64/454958864.db2.gz GKRXOSRNVLJIKO-MRXNPFEDSA-N 1 0 327.758 3.321 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000185079087 455498238 /nfs/dbraw/zinc/49/82/38/455498238.db2.gz PPVYBUSNXUFKRP-ZDUSSCGKSA-N 1 0 332.831 3.355 20 10 EGCDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000127802841 454999515 /nfs/dbraw/zinc/99/95/15/454999515.db2.gz NONWMMWYDHPTPM-HNNXBMFYSA-N 1 0 330.451 3.443 20 10 EGCDRO CC[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1O ZINC000155593266 455020473 /nfs/dbraw/zinc/02/04/73/455020473.db2.gz ZJGGGCQDLPAYNF-INIZCTEOSA-N 1 0 328.460 3.384 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccccc1O ZINC000155595173 455020540 /nfs/dbraw/zinc/02/05/40/455020540.db2.gz ROHKWWIXGRJBJJ-DYVFJYSZSA-N 1 0 348.468 3.102 20 10 EGCDRO Cc1cccc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000179664784 455065189 /nfs/dbraw/zinc/06/51/89/455065189.db2.gz MFWKGKBIGXTRQI-AWEZNQCLSA-N 1 0 333.453 3.297 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O ZINC000179767189 455076414 /nfs/dbraw/zinc/07/64/14/455076414.db2.gz YMPKHNSCNRYGDD-HNNXBMFYSA-N 1 0 330.472 3.171 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000172118377 455124704 /nfs/dbraw/zinc/12/47/04/455124704.db2.gz OFPVNMTZPPXTOD-INIZCTEOSA-N 1 0 325.330 3.240 20 10 EGCDRO CN(C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1)C(=O)OC(C)(C)C ZINC000180075557 455127795 /nfs/dbraw/zinc/12/77/95/455127795.db2.gz CFBVOKGGQKVMIK-ZDUSSCGKSA-N 1 0 338.423 3.220 20 10 EGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCSC3)C2)cc1 ZINC000130060873 455140578 /nfs/dbraw/zinc/14/05/78/455140578.db2.gz APPFXEAPAPMXMF-CHWSQXEVSA-N 1 0 328.428 3.352 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@](C)(O)c2ccccc2)c1O ZINC000190275077 455292648 /nfs/dbraw/zinc/29/26/48/455292648.db2.gz UMPURZDOGLILDF-SFHVURJKSA-N 1 0 335.831 3.442 20 10 EGCDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000183043467 455215689 /nfs/dbraw/zinc/21/56/89/455215689.db2.gz AIQFGBSNEQEFPW-UHFFFAOYSA-N 1 0 342.439 3.221 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000183440077 455293038 /nfs/dbraw/zinc/29/30/38/455293038.db2.gz WYVHBKLCQILMMX-KBPBESRZSA-N 1 0 348.468 3.054 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1O ZINC000183524258 455302740 /nfs/dbraw/zinc/30/27/40/455302740.db2.gz HCKOGEHAXPVEBH-BDJLRTHQSA-N 1 0 349.814 3.201 20 10 EGCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000184286561 455369003 /nfs/dbraw/zinc/36/90/03/455369003.db2.gz OELNHYPVCOUAKK-OAHLLOKOSA-N 1 0 329.419 3.217 20 10 EGCDRO COc1cc(O)c(CN2CCO[C@H](c3ccccc3F)C2)cc1OC ZINC000160116153 455429559 /nfs/dbraw/zinc/42/95/59/455429559.db2.gz WKZMRJCYRJIMJV-IBGZPJMESA-N 1 0 347.386 3.122 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000184919100 455472784 /nfs/dbraw/zinc/47/27/84/455472784.db2.gz WJOPDPOAIWBJPH-XLIONFOSSA-N 1 0 340.467 3.425 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000191308629 455475892 /nfs/dbraw/zinc/47/58/92/455475892.db2.gz YIBOHKJBMZXYKQ-SNVBAGLBSA-N 1 0 339.773 3.087 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000185086945 455499039 /nfs/dbraw/zinc/49/90/39/455499039.db2.gz DTUBFFDSDAETSM-INIZCTEOSA-N 1 0 347.480 3.356 20 10 EGCDRO O=C(NCCC[NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CCC1 ZINC000267164879 455509640 /nfs/dbraw/zinc/50/96/40/455509640.db2.gz GQGFMGMLNAFBJL-UHFFFAOYSA-N 1 0 338.451 3.455 20 10 EGCDRO COCCN1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185145075 455510157 /nfs/dbraw/zinc/51/01/57/455510157.db2.gz VQJPFZMSEPUIES-OAHLLOKOSA-N 1 0 332.488 3.032 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000185170582 455515358 /nfs/dbraw/zinc/51/53/58/455515358.db2.gz SLYCQUIVWFKGEH-QWHCGFSZSA-N 1 0 349.452 3.216 20 10 EGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185276605 455532855 /nfs/dbraw/zinc/53/28/55/455532855.db2.gz AZACPSOQKTZXPZ-SECBINFHSA-N 1 0 338.249 3.356 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@@](=O)C1 ZINC000277569233 455601819 /nfs/dbraw/zinc/60/18/19/455601819.db2.gz SMLLWYOSWKZCJL-IQMFZBJNSA-N 1 0 329.465 3.260 20 10 EGCDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000271473385 455650851 /nfs/dbraw/zinc/65/08/51/455650851.db2.gz KZXPFRZLCBNACC-ZMZPIMSZSA-N 1 0 333.359 3.126 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000186019261 455677016 /nfs/dbraw/zinc/67/70/16/455677016.db2.gz YGOCQQSDBMIUQZ-INIZCTEOSA-N 1 0 348.487 3.087 20 10 EGCDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1=O ZINC000186102029 455694627 /nfs/dbraw/zinc/69/46/27/455694627.db2.gz XMUGTEXEUIPZFH-HOCLYGCPSA-N 1 0 340.423 3.165 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000186191098 455712703 /nfs/dbraw/zinc/71/27/03/455712703.db2.gz IGIAACNPWSPPHL-AEFFLSMTSA-N 1 0 338.451 3.400 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCn2cnc3ccccc32)c1 ZINC000192931041 455720966 /nfs/dbraw/zinc/72/09/66/455720966.db2.gz VIRVLHBKJCQRBL-CQSZACIVSA-N 1 0 325.412 3.491 20 10 EGCDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000193438580 455759114 /nfs/dbraw/zinc/75/91/14/455759114.db2.gz BEDWFJKSPOFCSA-KRWDZBQOSA-N 1 0 327.476 3.305 20 10 EGCDRO C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000269005328 455759707 /nfs/dbraw/zinc/75/97/07/455759707.db2.gz QGAWFXHVEGTVKM-OAHLLOKOSA-N 1 0 338.467 3.112 20 10 EGCDRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000193559141 455764356 /nfs/dbraw/zinc/76/43/56/455764356.db2.gz GYFVIOYZNPEDFE-HNNXBMFYSA-N 1 0 342.439 3.155 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c(O)c1 ZINC000284960455 455768097 /nfs/dbraw/zinc/76/80/97/455768097.db2.gz FKZOVSHZLAJMAG-CVEARBPZSA-N 1 0 328.460 3.062 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000293433951 455786928 /nfs/dbraw/zinc/78/69/28/455786928.db2.gz OLAOQRYWFJZYDR-KXBFYZLASA-N 1 0 341.430 3.057 20 10 EGCDRO CNC(=O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293674096 455794993 /nfs/dbraw/zinc/79/49/93/455794993.db2.gz JXSGINRQXLLTCK-SFHVURJKSA-N 1 0 326.440 3.182 20 10 EGCDRO OC[C@@H]1CC[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)O1 ZINC000294355333 455812743 /nfs/dbraw/zinc/81/27/43/455812743.db2.gz QACPZVAWUZRKNT-WSTZPKSXSA-N 1 0 341.451 3.196 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000294895540 455831465 /nfs/dbraw/zinc/83/14/65/455831465.db2.gz WVRIZDOWPMRGPN-HNNXBMFYSA-N 1 0 335.467 3.005 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000295070031 455837630 /nfs/dbraw/zinc/83/76/30/455837630.db2.gz WFTDSXCMDPNRPZ-RXVVDRJESA-N 1 0 346.515 3.285 20 10 EGCDRO COc1c(O)c(CNc2ccc(C)cc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000278912580 455852855 /nfs/dbraw/zinc/85/28/55/455852855.db2.gz SSLKAHODUORCMM-UHFFFAOYSA-N 1 0 345.399 3.291 20 10 EGCDRO COc1c(O)c(C[NH2+][C@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000278935125 455853580 /nfs/dbraw/zinc/85/35/80/455853580.db2.gz WVQBGVABIQEBMA-SECBINFHSA-N 1 0 338.310 3.438 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C)CC2)c1O ZINC000186946864 455855135 /nfs/dbraw/zinc/85/51/35/455855135.db2.gz KZWGUOCSJOCCDI-LLVKDONJSA-N 1 0 327.266 3.208 20 10 EGCDRO Oc1ccccc1C[N@H+](CC[C@@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000285611270 455882092 /nfs/dbraw/zinc/88/20/92/455882092.db2.gz MDQGYJRFQOILHX-TZIWHRDSSA-N 1 0 341.451 3.497 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000296294535 455902433 /nfs/dbraw/zinc/90/24/33/455902433.db2.gz FSWOVAVZOONPBL-OAHLLOKOSA-N 1 0 344.402 3.397 20 10 EGCDRO Cc1cc(/C=C/C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000272328742 455915546 /nfs/dbraw/zinc/91/55/46/455915546.db2.gz VDLPYLJSZBLTRE-HBTVWZBFSA-N 1 0 337.467 3.303 20 10 EGCDRO CCO[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000195188610 455931038 /nfs/dbraw/zinc/93/10/38/455931038.db2.gz ZEXXLNDIMDSUPP-LJQANCHMSA-N 1 0 331.412 3.277 20 10 EGCDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H]3CCc4cccc(O)c43)n2)c1 ZINC000296447228 455941567 /nfs/dbraw/zinc/94/15/67/455941567.db2.gz MZPZJXSHNLAPFF-JSGCOSHPSA-N 1 0 335.411 3.219 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)cc1OC ZINC000272453284 455955688 /nfs/dbraw/zinc/95/56/88/455955688.db2.gz WNCMCMNLIHDTCG-HXPMCKFVSA-N 1 0 349.402 3.414 20 10 EGCDRO Cc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000286023315 455961657 /nfs/dbraw/zinc/96/16/57/455961657.db2.gz JVFVJYHXTRBYBI-HNNXBMFYSA-N 1 0 343.446 3.341 20 10 EGCDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272621798 456017091 /nfs/dbraw/zinc/01/70/91/456017091.db2.gz LYQKTNIFSJZIFQ-OLZOCXBDSA-N 1 0 338.423 3.266 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1O ZINC000287394479 456068467 /nfs/dbraw/zinc/06/84/67/456068467.db2.gz IUZPPEXLYBRYLS-DOTOQJQBSA-N 1 0 331.460 3.113 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccccc1O ZINC000287449216 456069164 /nfs/dbraw/zinc/06/91/64/456069164.db2.gz UXVKWGJJBGMOLB-QAPCUYQASA-N 1 0 342.439 3.443 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000287593076 456073745 /nfs/dbraw/zinc/07/37/45/456073745.db2.gz RSMMJKLINOXOQA-JKSUJKDBSA-N 1 0 331.460 3.031 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000280919490 456081444 /nfs/dbraw/zinc/08/14/44/456081444.db2.gz QXPVSDMNAIBIBA-CQSZACIVSA-N 1 0 339.430 3.099 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CCCO)CC2)c1O ZINC000272953444 456122840 /nfs/dbraw/zinc/12/28/40/456122840.db2.gz MTUKPGGSKLSVES-UHFFFAOYSA-N 1 0 325.836 3.233 20 10 EGCDRO O=C(CC1CC[NH+](Cc2c(O)cccc2Cl)CC1)N1CCCC1 ZINC000271143542 456139613 /nfs/dbraw/zinc/13/96/13/456139613.db2.gz WSPNLAIYXKEQCS-UHFFFAOYSA-N 1 0 336.863 3.270 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000297252514 456162622 /nfs/dbraw/zinc/16/26/22/456162622.db2.gz JKMWXVGFBBDQDN-MSOLQXFVSA-N 1 0 326.440 3.281 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000289926624 456185278 /nfs/dbraw/zinc/18/52/78/456185278.db2.gz XTAQKGDZFODJJD-OAHLLOKOSA-N 1 0 333.350 3.070 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c1O ZINC000289946134 456191489 /nfs/dbraw/zinc/19/14/89/456191489.db2.gz XFNWHHBCJZDYBP-SFHVURJKSA-N 1 0 333.453 3.430 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc2ccccc2c1O ZINC000297439783 456220958 /nfs/dbraw/zinc/22/09/58/456220958.db2.gz VZLGSKBFIIKPKK-WBVHZDCISA-N 1 0 328.456 3.043 20 10 EGCDRO C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cc(F)ccc1O ZINC000273363310 456225890 /nfs/dbraw/zinc/22/58/90/456225890.db2.gz AVJLNUCOIDPZGY-ZDUSSCGKSA-N 1 0 346.402 3.335 20 10 EGCDRO Cc1ccc(O)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1 ZINC000273497390 456234381 /nfs/dbraw/zinc/23/43/81/456234381.db2.gz PMADAZOXZGQLOK-DOTOQJQBSA-N 1 0 340.471 3.409 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc2c(c1)CC(=O)N2C ZINC000273574610 456238899 /nfs/dbraw/zinc/23/88/99/456238899.db2.gz LKFMQNMKOWRAQG-RYUDHWBXSA-N 1 0 328.387 3.462 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000263862727 456247849 /nfs/dbraw/zinc/24/78/49/456247849.db2.gz WVRDGZJVWCBLSV-KRWDZBQOSA-N 1 0 339.483 3.440 20 10 EGCDRO COCCOCCOCCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000274680720 456263666 /nfs/dbraw/zinc/26/36/66/456263666.db2.gz RFDVVPWNDLYGQD-INIZCTEOSA-N 1 0 347.455 3.266 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1O ZINC000290320600 456290962 /nfs/dbraw/zinc/29/09/62/456290962.db2.gz CYHSZPVKBRXJQL-IUODEOHRSA-N 1 0 341.293 3.235 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000290523218 456353141 /nfs/dbraw/zinc/35/31/41/456353141.db2.gz QDFOODQWQNSXJN-MRXNPFEDSA-N 1 0 337.423 3.415 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC000290980355 456485919 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CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cc1 ZINC000363832469 457454225 /nfs/dbraw/zinc/45/42/25/457454225.db2.gz SDNNZWVESWQRHS-KXBFYZLASA-N 1 0 342.487 3.060 20 10 EGCDRO COc1cccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c1O ZINC000365503320 457763031 /nfs/dbraw/zinc/76/30/31/457763031.db2.gz DXCWNYRSJSPESO-MRXNPFEDSA-N 1 0 326.440 3.407 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(N(C)C)cc1 ZINC000368564785 458045199 /nfs/dbraw/zinc/04/51/99/458045199.db2.gz VSMYVYCEAAXKMB-MOPGFXCFSA-N 1 0 342.487 3.060 20 10 EGCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1c(O)ccc3ccccc31)C[C@@H](C)O2 ZINC000369383697 458198444 /nfs/dbraw/zinc/19/84/44/458198444.db2.gz NAFKJPKAMBNHEI-SXGZJXTBSA-N 1 0 327.424 3.314 20 10 EGCDRO COc1ccc(N2CCCN(Cc3nccn3C(C)C)CC2)cc1 ZINC000377487465 458502084 /nfs/dbraw/zinc/50/20/84/458502084.db2.gz IZNHFKYYVPUQJU-UHFFFAOYSA-N 1 0 328.460 3.185 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000472289431 458781908 /nfs/dbraw/zinc/78/19/08/458781908.db2.gz BITSEDCTMZGOKR-UHFFFAOYSA-N 1 0 342.487 3.112 20 10 EGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCN(C2CC2)c2c(C)cccc21 ZINC000564841542 459777321 /nfs/dbraw/zinc/77/73/21/459777321.db2.gz MEMJQVLSLRBYQJ-UHFFFAOYSA-N 1 0 349.478 3.386 20 10 EGCDRO CC[C@H]([NH2+][C@H](C)c1nncn1C)c1cc(Br)ccc1O ZINC000037017381 522746183 /nfs/dbraw/zinc/74/61/83/522746183.db2.gz IJTPXQGYCQUZBO-SKDRFNHKSA-N 1 0 339.237 3.085 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCCCC2)ccc1N1CCCCC1 ZINC000726606241 574563584 /nfs/dbraw/zinc/56/35/84/574563584.db2.gz WRJCWTRDZVNWHU-UHFFFAOYSA-N 1 0 347.459 3.370 20 10 EGCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000729346338 574844674 /nfs/dbraw/zinc/84/46/74/574844674.db2.gz QDJRDNVCSSNVPN-IBGZPJMESA-N 1 0 329.488 3.168 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000729683583 574879067 /nfs/dbraw/zinc/87/90/67/574879067.db2.gz PESXBIGJRZHQII-UXHICEINSA-N 1 0 338.451 3.012 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@H](c3ccccc3)C1)OCO2 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EGCDRO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000742218781 576759298 /nfs/dbraw/zinc/75/92/98/576759298.db2.gz IDDOYPQJOMPGIQ-ROUUACIJSA-N 1 0 332.488 3.376 20 10 EGCDRO CC[C@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)[NH+](CC)CC ZINC000742253040 576762727 /nfs/dbraw/zinc/76/27/27/576762727.db2.gz GNDMZRDHIHIYEK-QGZVFWFLSA-N 1 0 337.483 3.409 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)cc1 ZINC000742843330 576796457 /nfs/dbraw/zinc/79/64/57/576796457.db2.gz BXWUHZNVUATRGS-UHFFFAOYSA-N 1 0 326.440 3.334 20 10 EGCDRO Oc1cc(Br)ccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000691498373 1298133454 /nfs/dbraw/zinc/13/34/54/1298133454.db2.gz SRGRSXMCYRIPFT-LSDHHAIUSA-N 1 0 339.277 3.261 20 10 EGCDRO CC[NH+](CC)C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000691676135 1298135943 /nfs/dbraw/zinc/13/59/43/1298135943.db2.gz LJSGJZFCMPUHQB-UHFFFAOYSA-N 1 0 341.293 3.461 20 10 EGCDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000008197443 1291098994 /nfs/dbraw/zinc/09/89/94/1291098994.db2.gz KMPGLIIQGRXDCX-UHFFFAOYSA-N 1 0 335.787 3.415 20 10 EGCDRO C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000046368290 1291535988 /nfs/dbraw/zinc/53/59/88/1291535988.db2.gz AHSKVTVBVVSKGO-IRXDYDNUSA-N 1 0 346.519 3.014 20 10 EGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](N4CCCC4)C3)c2c1 ZINC000066080906 1292106916 /nfs/dbraw/zinc/10/69/16/1292106916.db2.gz JOFHVLWXQNZUHS-INIZCTEOSA-N 1 0 326.440 3.224 20 10 EGCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000827751878 1292365687 /nfs/dbraw/zinc/36/56/87/1292365687.db2.gz XRGTWFMULLRGAL-YOEHRIQHSA-N 1 0 341.835 3.266 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H]2CCC[C@@]2(C)C(=O)OCC)ccc1OC ZINC000827750361 1292365712 /nfs/dbraw/zinc/36/57/12/1292365712.db2.gz FNEPCHKACIEQJS-AZUAARDMSA-N 1 0 349.471 3.443 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000827838854 1292385150 /nfs/dbraw/zinc/38/51/50/1292385150.db2.gz NSDRNHNGOSSLFF-QGZVFWFLSA-N 1 0 338.373 3.302 20 10 EGCDRO CCOC[C@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)C(C)C ZINC000829634697 1292593444 /nfs/dbraw/zinc/59/34/44/1292593444.db2.gz KSCAOMOPPATXFW-FQEVSTJZSA-N 1 0 334.504 3.453 20 10 EGCDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092704884 1292886664 /nfs/dbraw/zinc/88/66/64/1292886664.db2.gz JXNBVBXOCGYRGI-QGZVFWFLSA-N 1 0 348.487 3.309 20 10 EGCDRO COC(=O)c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)c[nH]1 ZINC000093319304 1292915557 /nfs/dbraw/zinc/91/55/57/1292915557.db2.gz ROQCOCXOAGCWBU-UHFFFAOYSA-N 1 0 328.412 3.452 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000093360315 1292919107 /nfs/dbraw/zinc/91/91/07/1292919107.db2.gz KJLHHMIRCAAAKC-ZDUSSCGKSA-N 1 0 338.448 3.136 20 10 EGCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000093360187 1292919405 /nfs/dbraw/zinc/91/94/05/1292919405.db2.gz RUJNBJXYSJHPSQ-ZDUSSCGKSA-N 1 0 338.448 3.136 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1 ZINC000093538681 1292926029 /nfs/dbraw/zinc/92/60/29/1292926029.db2.gz JBWKBEZYNCOVAD-UHFFFAOYSA-N 1 0 338.448 3.138 20 10 EGCDRO Cc1ccc2oc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc2c1 ZINC000832279582 1292981046 /nfs/dbraw/zinc/98/10/46/1292981046.db2.gz KFTFMFMJIYFKFR-KRWDZBQOSA-N 1 0 337.423 3.237 20 10 EGCDRO CCc1ccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832292976 1292982937 /nfs/dbraw/zinc/98/29/37/1292982937.db2.gz OGCFTTOOTWGTOT-HXUWFJFHSA-N 1 0 339.483 3.064 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000103508230 1293008019 /nfs/dbraw/zinc/00/80/19/1293008019.db2.gz ZRRYXLNCRLXMDC-GFCCVEGCSA-N 1 0 349.475 3.070 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+]CC1(N3CCSCC3)CCCC1)CC2 ZINC000834508589 1293107537 /nfs/dbraw/zinc/10/75/37/1293107537.db2.gz NYFJBECCVYETJS-MRXNPFEDSA-N 1 0 332.513 3.331 20 10 EGCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1c1ccccc1Cl ZINC000834645881 1293126648 /nfs/dbraw/zinc/12/66/48/1293126648.db2.gz PLYXCVHECZCSLG-HUUCEWRRSA-N 1 0 342.826 3.428 20 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ZINC000834903103 1293170128 /nfs/dbraw/zinc/17/01/28/1293170128.db2.gz IVXRARPZGISBPU-UNQWWWNPSA-N 1 0 329.444 3.437 20 10 EGCDRO COc1cccnc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000834906928 1293172115 /nfs/dbraw/zinc/17/21/15/1293172115.db2.gz UKFXMONMFWTCTK-JTQLQIEISA-N 1 0 337.217 3.409 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N2CCCCCC2)cc1 ZINC000834908938 1293172946 /nfs/dbraw/zinc/17/29/46/1293172946.db2.gz MWPULFVCMPTWEV-JXFKEZNVSA-N 1 0 329.488 3.386 20 10 EGCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834912613 1293175417 /nfs/dbraw/zinc/17/54/17/1293175417.db2.gz SQKMMZUWOUUDKE-ITDIGPHOSA-N 1 0 343.402 3.400 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(N2CCOCC2)cc1Cl ZINC000834915987 1293175994 /nfs/dbraw/zinc/17/59/94/1293175994.db2.gz WDGZRLQTEPCVMO-YCPHGPKFSA-N 1 0 338.879 3.395 20 10 EGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(N2CCCCC2)cc1 ZINC000834916380 1293176053 /nfs/dbraw/zinc/17/60/53/1293176053.db2.gz 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CC(C)c1cnc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283530 1302359635 /nfs/dbraw/zinc/35/96/35/1302359635.db2.gz ITUNGFNOCIHEKI-UHFFFAOYSA-N 1 0 344.528 3.308 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnccn1 ZINC000765994744 1302364985 /nfs/dbraw/zinc/36/49/85/1302364985.db2.gz RNUDUMHDVHIIKN-XJKSGUPXSA-N 1 0 346.862 3.151 20 10 EGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)C ZINC000766365451 1302439555 /nfs/dbraw/zinc/43/95/55/1302439555.db2.gz FWSLVBKZXDWDMX-KSSFIOAISA-N 1 0 340.895 3.498 20 10 EGCDRO CC[N@@H+](Cc1c(O)cccc1OC)C[C@H]1COc2ccccc2O1 ZINC000768180750 1302847244 /nfs/dbraw/zinc/84/72/44/1302847244.db2.gz OVIDQVUOJZALRO-AWEZNQCLSA-N 1 0 329.396 3.063 20 10 EGCDRO COc1cccc(O)c1C[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000768196297 1302853588 /nfs/dbraw/zinc/85/35/88/1302853588.db2.gz BBQPDIRWECWZIH-UHFFFAOYSA-N 1 0 331.412 3.358 20 10 EGCDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440272 1302904251 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C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769424148 1303111193 /nfs/dbraw/zinc/11/11/93/1303111193.db2.gz RZCGIENESWTOPU-MAUKXSAKSA-N 1 0 347.503 3.488 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c1 ZINC000769498081 1303126719 /nfs/dbraw/zinc/12/67/19/1303126719.db2.gz FIZKFMDQZJSZEN-DLBZAZTESA-N 1 0 334.460 3.012 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1F ZINC000770300990 1303245886 /nfs/dbraw/zinc/24/58/86/1303245886.db2.gz JPDNSYUZIZYKJQ-UHFFFAOYSA-N 1 0 343.446 3.223 20 10 EGCDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325067 1303434092 /nfs/dbraw/zinc/43/40/92/1303434092.db2.gz RYTSMAVOYAQOSR-LPHOPBHVSA-N 1 0 343.515 3.304 20 10 EGCDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000771875490 1303452674 /nfs/dbraw/zinc/45/26/74/1303452674.db2.gz GWZCLPGCNRTFQN-XOBRGWDASA-N 1 0 327.424 3.496 20 10 EGCDRO CCCC(CCC)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746892 1303582556 /nfs/dbraw/zinc/58/25/56/1303582556.db2.gz FJBRDLGIDKMHST-UHFFFAOYSA-N 1 0 331.504 3.447 20 10 EGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773748556 1303734060 /nfs/dbraw/zinc/73/40/60/1303734060.db2.gz NPQQHCKHEWODIA-UHFFFAOYSA-N 1 0 333.476 3.195 20 10 EGCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)[C@@H](CC)CN1C(C)=O ZINC000773754755 1303734899 /nfs/dbraw/zinc/73/48/99/1303734899.db2.gz NMOSBRNGYOQPIL-RBUKOAKNSA-N 1 0 331.504 3.364 20 10 EGCDRO CCN(C)c1ccc(C[NH2+][C@@H](CCO)c2ccc(OC)cc2)cc1 ZINC000773815218 1303740571 /nfs/dbraw/zinc/74/05/71/1303740571.db2.gz AALAQXUKRLULCN-FQEVSTJZSA-N 1 0 328.456 3.365 20 10 EGCDRO CCN(C)c1ccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000773809327 1303740717 /nfs/dbraw/zinc/74/07/17/1303740717.db2.gz BHNFMLJUTVRQIQ-AUSIDOKSSA-N 1 0 330.497 3.352 20 10 EGCDRO CCN(C)c1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1 ZINC000773810759 1303740930 /nfs/dbraw/zinc/74/09/30/1303740930.db2.gz KVXFWDBCXNOACJ-FQEVSTJZSA-N 1 0 339.483 3.452 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000774396863 1303806317 /nfs/dbraw/zinc/80/63/17/1303806317.db2.gz NVURPGHYWCHYSS-AAEUAGOBSA-N 1 0 339.357 3.311 20 10 EGCDRO COc1c(O)c(C[N@H+](C)CCOc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000774820870 1303863398 /nfs/dbraw/zinc/86/33/98/1303863398.db2.gz IMAGKCKDUJNGAF-UHFFFAOYSA-N 1 0 346.383 3.128 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000774856937 1303868379 /nfs/dbraw/zinc/86/83/79/1303868379.db2.gz IDTLHELBVNFZQQ-HNNXBMFYSA-N 1 0 344.367 3.352 20 10 EGCDRO COc1c(O)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774909447 1303876002 /nfs/dbraw/zinc/87/60/02/1303876002.db2.gz QCBRHBHVPJGSLI-LBPRGKRZSA-N 1 0 328.368 3.256 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)cc1F ZINC000775205853 1303924570 /nfs/dbraw/zinc/92/45/70/1303924570.db2.gz KDBKRECQRFBVMH-UHFFFAOYSA-N 1 0 347.409 3.469 20 10 EGCDRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OCO2 ZINC000775365673 1303947099 /nfs/dbraw/zinc/94/70/99/1303947099.db2.gz VXIWEWNILQJFBW-ZDUSSCGKSA-N 1 0 328.412 3.341 20 10 EGCDRO CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000775484293 1303970675 /nfs/dbraw/zinc/97/06/75/1303970675.db2.gz AOQYYXDVGGFTEO-IAGOWNOFSA-N 1 0 340.895 3.443 20 10 EGCDRO CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775508446 1303976246 /nfs/dbraw/zinc/97/62/46/1303976246.db2.gz CGGXYTFZGAMTTR-ZDUSSCGKSA-N 1 0 347.286 3.196 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Br)ccc1O ZINC000775523867 1303978624 /nfs/dbraw/zinc/97/86/24/1303978624.db2.gz OGJRKNVFKKANIA-TZMCWYRMSA-N 1 0 328.250 3.356 20 10 EGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000775647989 1304002883 /nfs/dbraw/zinc/00/28/83/1304002883.db2.gz LCZZASPESYGMGB-GOSISDBHSA-N 1 0 326.440 3.107 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(C)c(C)c3)CC2)c1 ZINC000775647950 1304003261 /nfs/dbraw/zinc/00/32/61/1304003261.db2.gz JDTMVFGNNPHEMQ-UHFFFAOYSA-N 1 0 326.440 3.340 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c1O ZINC000775647973 1304003473 /nfs/dbraw/zinc/00/34/73/1304003473.db2.gz KMGONOBDOIRANC-GOSISDBHSA-N 1 0 325.408 3.408 20 10 EGCDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000775677895 1304012918 /nfs/dbraw/zinc/01/29/18/1304012918.db2.gz JSMWVGXOUWOPSW-GJYPPUQNSA-N 1 0 331.504 3.125 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775998725 1304077349 /nfs/dbraw/zinc/07/73/49/1304077349.db2.gz RYYYVRIXYWDZOK-UHFFFAOYSA-N 1 0 345.414 3.110 20 10 EGCDRO COc1ccc(C2([NH2+]Cc3cc(OC)c(OC)cc3O)CC2)cc1 ZINC000776167362 1304104728 /nfs/dbraw/zinc/10/47/28/1304104728.db2.gz DCIVWBKFDYAERW-UHFFFAOYSA-N 1 0 329.396 3.197 20 10 EGCDRO C[C@@H]([NH2+]CCCCCCO)c1ccc(N2CCOCC2)cc1Cl ZINC000776166853 1304105177 /nfs/dbraw/zinc/10/51/77/1304105177.db2.gz FYMOPRYXTYNHEK-OAHLLOKOSA-N 1 0 340.895 3.380 20 10 EGCDRO C[C@@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776238441 1304119072 /nfs/dbraw/zinc/11/90/72/1304119072.db2.gz ODNUJJQOOSWPRL-CVEARBPZSA-N 1 0 346.519 3.185 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)ccc1N1CCCCC1 ZINC000778217402 1304421822 /nfs/dbraw/zinc/42/18/22/1304421822.db2.gz ZWMGMYFOEUYENB-IAGOWNOFSA-N 1 0 347.459 3.226 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000779004320 1304516958 /nfs/dbraw/zinc/51/69/58/1304516958.db2.gz UQZLUOZQYBYOHY-GXFFZTMASA-N 1 0 340.217 3.440 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cn1 ZINC000779022499 1304519895 /nfs/dbraw/zinc/51/98/95/1304519895.db2.gz CLHHVSNQTQDOMZ-GOSISDBHSA-N 1 0 329.419 3.298 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)[C@]12CCCO2 ZINC000781420993 1304825362 /nfs/dbraw/zinc/82/53/62/1304825362.db2.gz NOVFYMOERXPNHG-PWRODBHTSA-N 1 0 344.499 3.493 20 10 EGCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccoc2Cl)[NH+](C)C)cc1 ZINC000891249077 1305000056 /nfs/dbraw/zinc/00/00/56/1305000056.db2.gz PFLFYRQEZIRCFS-OAHLLOKOSA-N 1 0 335.835 3.032 20 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/nfs/dbraw/zinc/18/19/75/1305181975.db2.gz YWMNIAMDLAFVMM-UHFFFAOYSA-N 1 0 333.472 3.453 20 10 EGCDRO COCCc1ccccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000786163670 1305527705 /nfs/dbraw/zinc/52/77/05/1305527705.db2.gz MKTOLRQEYSHFQL-UHFFFAOYSA-N 1 0 339.483 3.239 20 10 EGCDRO COc1ccccc1C1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892782804 1305551399 /nfs/dbraw/zinc/55/13/99/1305551399.db2.gz VRBIKJBLGARPNK-UHFFFAOYSA-N 1 0 343.423 3.239 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000786956517 1305665723 /nfs/dbraw/zinc/66/57/23/1305665723.db2.gz FYQLNTSDQPLARD-NSHDSACASA-N 1 0 325.455 3.016 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)[C@H]1C ZINC000787239916 1305715299 /nfs/dbraw/zinc/71/52/99/1305715299.db2.gz PJTZAFKVWSLRMF-SWLSCSKDSA-N 1 0 335.444 3.082 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1Cl ZINC000893170400 1305744314 /nfs/dbraw/zinc/74/43/14/1305744314.db2.gz JOGKRHCXRFCDOY-UHFFFAOYSA-N 1 0 337.803 3.361 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c(O)c1OC ZINC000893320915 1305827229 /nfs/dbraw/zinc/82/72/29/1305827229.db2.gz WCRFPQXSHAUCJI-UHFFFAOYSA-N 1 0 341.329 3.459 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000788604529 1305980943 /nfs/dbraw/zinc/98/09/43/1305980943.db2.gz CERGMGYCFWGTNI-YGRLFVJLSA-N 1 0 329.375 3.223 20 10 EGCDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(Br)cc1O ZINC000788982636 1306056722 /nfs/dbraw/zinc/05/67/22/1306056722.db2.gz XREYIXIOLTZTEL-SSDOTTSWSA-N 1 0 328.128 3.342 20 10 EGCDRO CCc1nc([C@H]2CCCCN2Cc2cc(C)cc(OC)c2O)no1 ZINC000893968246 1306153482 /nfs/dbraw/zinc/15/34/82/1306153482.db2.gz GLLAEHOLVJIRKK-CQSZACIVSA-N 1 0 331.416 3.382 20 10 EGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000894019503 1306177297 /nfs/dbraw/zinc/17/72/97/1306177297.db2.gz HFKAKHZVEKFITH-ZDUSSCGKSA-N 1 0 338.448 3.054 20 10 EGCDRO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(F)cc(F)c1[O-] ZINC000894061793 1306197169 /nfs/dbraw/zinc/19/71/69/1306197169.db2.gz LJZSPNFHVFYRBG-QFIPXVFZSA-N 1 0 325.380 3.040 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)cc1OC ZINC000789777739 1306215221 /nfs/dbraw/zinc/21/52/21/1306215221.db2.gz BNDDSYKEYKOZOM-VQTJNVASSA-N 1 0 345.439 3.257 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000894363867 1306361053 /nfs/dbraw/zinc/36/10/53/1306361053.db2.gz HEUCFECDVPOUSU-NPMABZOXSA-N 1 0 333.453 3.297 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)c1O ZINC000894370890 1306363211 /nfs/dbraw/zinc/36/32/11/1306363211.db2.gz QVSNFAJIGQGFRJ-DYVFJYSZSA-N 1 0 333.403 3.450 20 10 EGCDRO CC[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810238912 1317983550 /nfs/dbraw/zinc/98/35/50/1317983550.db2.gz UBYDXJAIYZLWNN-GXSJLCMTSA-N 1 0 327.293 3.468 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1O ZINC000894469476 1308905736 /nfs/dbraw/zinc/90/57/36/1308905736.db2.gz HJGKNQWULCIKNV-SFHVURJKSA-N 1 0 335.831 3.360 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(O)c1OC ZINC000894486387 1308917272 /nfs/dbraw/zinc/91/72/72/1308917272.db2.gz UTWNGHCGRAWGEQ-CABCVRRESA-N 1 0 335.444 3.048 20 10 EGCDRO CN(C)c1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc1F ZINC000791126670 1308925208 /nfs/dbraw/zinc/92/52/08/1308925208.db2.gz JHEADKZRLJPTMR-UHFFFAOYSA-N 1 0 335.467 3.163 20 10 EGCDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(O)c1OC ZINC000894590438 1308969593 /nfs/dbraw/zinc/96/95/93/1308969593.db2.gz ARMQQWSTPWKNLT-UHFFFAOYSA-N 1 0 346.383 3.343 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c(O)c1OC ZINC000894688813 1309022299 /nfs/dbraw/zinc/02/22/99/1309022299.db2.gz GKMPXNURMNZWGF-IUODEOHRSA-N 1 0 329.396 3.411 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894699042 1309026826 /nfs/dbraw/zinc/02/68/26/1309026826.db2.gz CPKLYYXKUZNYKL-SFHVURJKSA-N 1 0 344.455 3.110 20 10 EGCDRO COc1cc(C[NH2+]CCO[C@H]2CCCCO2)c(O)c(C(C)(C)C)c1 ZINC000894796088 1309076300 /nfs/dbraw/zinc/07/63/00/1309076300.db2.gz YUBZQZYCRANPRP-KRWDZBQOSA-N 1 0 337.460 3.331 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c(O)c1OC ZINC000894807784 1309081961 /nfs/dbraw/zinc/08/19/61/1309081961.db2.gz IDQDBJXFAKWYDF-GOSISDBHSA-N 1 0 337.460 3.076 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)c1O ZINC000895037979 1309167374 /nfs/dbraw/zinc/16/73/74/1309167374.db2.gz AWOKJKIKDNLLLR-UHFFFAOYSA-N 1 0 348.830 3.399 20 10 EGCDRO COC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1cccc(OC)c1 ZINC000895251774 1309258286 /nfs/dbraw/zinc/25/82/86/1309258286.db2.gz NROLKPASWMOYGQ-KRWDZBQOSA-N 1 0 331.412 3.195 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC2CCC2)c(C(F)(F)F)c1 ZINC000793321757 1309345595 /nfs/dbraw/zinc/34/55/95/1309345595.db2.gz IYAPSGSCCKQBSO-CQSZACIVSA-N 1 0 330.394 3.412 20 10 EGCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000793608066 1309415694 /nfs/dbraw/zinc/41/56/94/1309415694.db2.gz GYTIIWFRUPRELK-DYVFJYSZSA-N 1 0 331.387 3.041 20 10 EGCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793607453 1309415768 /nfs/dbraw/zinc/41/57/68/1309415768.db2.gz DSGMFOQHQLCHNU-BEFAXECRSA-N 1 0 339.435 3.132 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c1O ZINC000895747227 1309502237 /nfs/dbraw/zinc/50/22/37/1309502237.db2.gz GINWKKSXVKCDBB-CYBMUJFWSA-N 1 0 343.757 3.156 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(C)cc1O ZINC000794790242 1309595579 /nfs/dbraw/zinc/59/55/79/1309595579.db2.gz BJTBHIRCXQOHIM-KRWDZBQOSA-N 1 0 348.468 3.313 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(C)cc1O ZINC000794811315 1309600758 /nfs/dbraw/zinc/60/07/58/1309600758.db2.gz WTRRIIFALZVDNS-PKOBYXMFSA-N 1 0 332.488 3.385 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@]2(CCCOC2)O1 ZINC000794890053 1309616527 /nfs/dbraw/zinc/61/65/27/1309616527.db2.gz KXMJXXJEALMPDC-VBKZILBWSA-N 1 0 349.471 3.165 20 10 EGCDRO CN1CCCc2cc(C[NH2+]CC3CCC4(CC3)OCCO4)ccc21 ZINC000795913277 1309860579 /nfs/dbraw/zinc/86/05/79/1309860579.db2.gz MBBXFMVPMPAACL-UHFFFAOYSA-N 1 0 330.472 3.092 20 10 EGCDRO O[C@@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796359471 1309977732 /nfs/dbraw/zinc/97/77/32/1309977732.db2.gz FBBUCUJDBRWPGR-PZJWPPBQSA-N 1 0 336.479 3.500 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]CCc2nc3c(s2)CCC3)c1O ZINC000896840223 1310045409 /nfs/dbraw/zinc/04/54/09/1310045409.db2.gz CWIVQEHJUMLYFQ-UHFFFAOYSA-N 1 0 338.860 3.332 20 10 EGCDRO CC[C@@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1ccc(N(C)C)cc1 ZINC000797093762 1310138348 /nfs/dbraw/zinc/13/83/48/1310138348.db2.gz KYDYIGHQEFUDFM-GOSISDBHSA-N 1 0 333.476 3.272 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897545844 1310373008 /nfs/dbraw/zinc/37/30/08/1310373008.db2.gz URVVKNIKESZWSI-INIZCTEOSA-N 1 0 333.476 3.046 20 10 EGCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000897890009 1310507328 /nfs/dbraw/zinc/50/73/28/1310507328.db2.gz DUZOBQWEACUUSQ-RTBURBONSA-N 1 0 346.496 3.278 20 10 EGCDRO CC(C)OC[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000800239003 1310709502 /nfs/dbraw/zinc/70/95/02/1310709502.db2.gz CKUKJWQAVMMNMN-WMLDXEAASA-N 1 0 340.895 3.413 20 10 EGCDRO Cc1ncc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000898448139 1310739517 /nfs/dbraw/zinc/73/95/17/1310739517.db2.gz PWVNXUSRYWEIMW-XOBRGWDASA-N 1 0 341.503 3.113 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1O ZINC000800994676 1310849409 /nfs/dbraw/zinc/84/94/09/1310849409.db2.gz YPDOMLOOVDIXLL-WMZOPIPTSA-N 1 0 338.451 3.277 20 10 EGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000801508049 1310949197 /nfs/dbraw/zinc/94/91/97/1310949197.db2.gz MQTQNVWIHVPYQQ-FQEVSTJZSA-N 1 0 344.499 3.447 20 10 EGCDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000899182375 1310969692 /nfs/dbraw/zinc/96/96/92/1310969692.db2.gz YXIPIILWYAMLMR-AUUYWEPGSA-N 1 0 342.439 3.317 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1 ZINC000825086268 1320308692 /nfs/dbraw/zinc/30/86/92/1320308692.db2.gz RGIIVKCDUSACBI-DNVCBOLYSA-N 1 0 328.412 3.196 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000824895152 1320294440 /nfs/dbraw/zinc/29/44/40/1320294440.db2.gz RLYJBIASPZWTCN-YPMHNXCESA-N 1 0 326.234 3.013 20 10 EGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825710492 1320357324 /nfs/dbraw/zinc/35/73/24/1320357324.db2.gz RKHYRLJVAWZRBZ-HNNXBMFYSA-N 1 0 328.250 3.282 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000826019690 1320379027 /nfs/dbraw/zinc/37/90/27/1320379027.db2.gz JXEWKVPZCJELCR-LJQANCHMSA-N 1 0 325.456 3.191 20 10 EGCDRO COc1cc(O)c(C[NH2+]CCc2cn(C)c3ccccc23)cc1OC ZINC000827252142 1320439109 /nfs/dbraw/zinc/43/91/09/1320439109.db2.gz XIYFFDIDGDPDNK-UHFFFAOYSA-N 1 0 340.423 3.233 20 10 EGCDRO COc1cc(C)nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000839540475 1320934921 /nfs/dbraw/zinc/93/49/21/1320934921.db2.gz AKQDOWQBEOJHPG-INIZCTEOSA-N 1 0 341.455 3.086 20 10 EGCDRO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000839564027 1320938555 /nfs/dbraw/zinc/93/85/55/1320938555.db2.gz PZGOFQFRDWZEQR-INIZCTEOSA-N 1 0 337.467 3.383 20 10 EGCDRO CC(C)OCc1noc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000929297585 1328559626 /nfs/dbraw/zinc/55/96/26/1328559626.db2.gz WYLRVZODXRHTLJ-UHFFFAOYSA-N 1 0 346.475 3.471 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000802644899 1317020289 /nfs/dbraw/zinc/02/02/89/1317020289.db2.gz OXNUJMGDHQPYLA-KRWDZBQOSA-N 1 0 344.480 3.484 20 10 EGCDRO CC[C@H](C[NH2+]Cc1c(O)cccc1Br)N1CCCC1 ZINC000858093873 1328679857 /nfs/dbraw/zinc/67/98/57/1328679857.db2.gz ATKKBRTUZHZSMB-GFCCVEGCSA-N 1 0 327.266 3.119 20 10 EGCDRO Cc1ccc([C@H](O)C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858104871 1328683823 /nfs/dbraw/zinc/68/38/23/1328683823.db2.gz AUPFNESNBMPWQA-MRXNPFEDSA-N 1 0 336.229 3.286 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCn2cnc3ccccc32)cc1F ZINC000858112410 1328685529 /nfs/dbraw/zinc/68/55/29/1328685529.db2.gz LSPGEAGKAIAMJQ-UHFFFAOYSA-N 1 0 330.382 3.170 20 10 EGCDRO Fc1ccc(-n2cc(C[NH2+]CCCSc3nccs3)nn2)cc1 ZINC000858140211 1328693750 /nfs/dbraw/zinc/69/37/50/1328693750.db2.gz AGCNKNOSYNCWGJ-UHFFFAOYSA-N 1 0 349.460 3.135 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccccc1O ZINC000806169618 1317467935 /nfs/dbraw/zinc/46/79/35/1317467935.db2.gz OEYJZRKOMRFWOA-CHWSQXEVSA-N 1 0 344.377 3.376 20 10 EGCDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1c(O)cccc1Br ZINC000858168114 1328701838 /nfs/dbraw/zinc/70/18/38/1328701838.db2.gz NLQZXVWQMHJGJL-OAHLLOKOSA-N 1 0 328.250 3.186 20 10 EGCDRO CC1(C)CCC[N@@H+]1CCNCc1c(O)cccc1Br ZINC000858174301 1328703351 /nfs/dbraw/zinc/70/33/51/1328703351.db2.gz BRZWIHOFQVJUFL-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1 ZINC000806662516 1317517444 /nfs/dbraw/zinc/51/74/44/1317517444.db2.gz DDTPQQPDBTYRLT-PBHICJAKSA-N 1 0 337.533 3.003 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3c(C)coc3C)C2)cc1C ZINC001020124552 1317551940 /nfs/dbraw/zinc/55/19/40/1317551940.db2.gz SOGNWWXMBDLMEI-QAQDUYKDSA-N 1 0 342.439 3.264 20 10 EGCDRO Cc1ccc([C@H](CNC(=O)NCc2cc(C)ccc2O)[NH+](C)C)cc1 ZINC000858190285 1328707542 /nfs/dbraw/zinc/70/75/42/1328707542.db2.gz GSYNPMDYRAPPBG-SFHVURJKSA-N 1 0 341.455 3.111 20 10 EGCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903162284 1317665025 /nfs/dbraw/zinc/66/50/25/1317665025.db2.gz CCHWZMWXHCFEPS-LBPRGKRZSA-N 1 0 325.334 3.193 20 10 EGCDRO CCC(CC)C[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000957849695 1317665031 /nfs/dbraw/zinc/66/50/31/1317665031.db2.gz PYZWGVLSWDWEQK-UHFFFAOYSA-N 1 0 345.447 3.043 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2nc(C(F)(F)F)cc2C)c1 ZINC000903165873 1317666516 /nfs/dbraw/zinc/66/65/16/1317666516.db2.gz XAGOFCHZVIORJI-NSHDSACASA-N 1 0 343.349 3.275 20 10 EGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000808436033 1317677457 /nfs/dbraw/zinc/67/74/57/1317677457.db2.gz IRFFHIUPQIFBNR-ZDUSSCGKSA-N 1 0 348.830 3.146 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](O)C2CC2)c1O ZINC000903407862 1317697555 /nfs/dbraw/zinc/69/75/55/1317697555.db2.gz QUEPJWLAUNESFK-HZMBPMFUSA-N 1 0 328.250 3.275 20 10 EGCDRO Cc1nc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000903449652 1317702255 /nfs/dbraw/zinc/70/22/55/1317702255.db2.gz ZAIDLLBOTPIAHF-FZKQIMNGSA-N 1 0 332.517 3.471 20 10 EGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955211 1317756690 /nfs/dbraw/zinc/75/66/90/1317756690.db2.gz MUNPLFXXSYYOCS-VIFPVBQESA-N 1 0 325.186 3.033 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H](C)C3)C2)cc1C ZINC001020671600 1317847716 /nfs/dbraw/zinc/84/77/16/1317847716.db2.gz LGESKISWFMBBFH-NBMRYCAZSA-N 1 0 330.472 3.177 20 10 EGCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000809632090 1317851544 /nfs/dbraw/zinc/85/15/44/1317851544.db2.gz KDEOGQDTVWWTOY-SJLPKXTDSA-N 1 0 331.504 3.160 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000809698098 1317868109 /nfs/dbraw/zinc/86/81/09/1317868109.db2.gz VTOIQSNUKFCZGI-PZJWPPBQSA-N 1 0 339.435 3.439 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]Cc2cnn3ccccc23)c1O ZINC000809701509 1317868249 /nfs/dbraw/zinc/86/82/49/1317868249.db2.gz YKJARYMFIIBBRX-UHFFFAOYSA-N 1 0 346.228 3.401 20 10 EGCDRO CC[N@@H+]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000809698257 1317868528 /nfs/dbraw/zinc/86/85/28/1317868528.db2.gz WVLCKNJJJZMTPH-INIZCTEOSA-N 1 0 346.475 3.111 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000809728804 1317880525 /nfs/dbraw/zinc/88/05/25/1317880525.db2.gz IIMNLIOBWGXMAL-CQSZACIVSA-N 1 0 329.356 3.041 20 10 EGCDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(N2CCOCC2)cc1 ZINC000809734871 1317883010 /nfs/dbraw/zinc/88/30/10/1317883010.db2.gz RYORNNYGMHFWJR-UHFFFAOYSA-N 1 0 339.483 3.373 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)cc1F ZINC000809777947 1317897558 /nfs/dbraw/zinc/89/75/58/1317897558.db2.gz JKEABBVLSXYQPP-QGZVFWFLSA-N 1 0 349.494 3.410 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810207070 1317976526 /nfs/dbraw/zinc/97/65/26/1317976526.db2.gz FUUWYHPEONLELU-OAHLLOKOSA-N 1 0 344.377 3.463 20 10 EGCDRO CC[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810215569 1317977768 /nfs/dbraw/zinc/97/77/68/1317977768.db2.gz HBJZABNKEIGBKA-DOMZBBRYSA-N 1 0 346.393 3.172 20 10 EGCDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810218316 1317978915 /nfs/dbraw/zinc/97/89/15/1317978915.db2.gz IDNOQEVHPNBFBW-CYBMUJFWSA-N 1 0 344.377 3.497 20 10 EGCDRO CC[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810235084 1317982351 /nfs/dbraw/zinc/98/23/51/1317982351.db2.gz LTOFPBZUZJWREY-GJZGRUSLSA-N 1 0 347.377 3.239 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc2ccccc2c1O ZINC000810242403 1317985821 /nfs/dbraw/zinc/98/58/21/1317985821.db2.gz QKSJCMZHSGCQLK-AWEZNQCLSA-N 1 0 334.419 3.424 20 10 EGCDRO CSC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC[NH+](C)CC1 ZINC000810252533 1317986497 /nfs/dbraw/zinc/98/64/97/1317986497.db2.gz QRMVBZFYSONRSS-LLVKDONJSA-N 1 0 330.444 3.148 20 10 EGCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000810260390 1317989329 /nfs/dbraw/zinc/98/93/29/1317989329.db2.gz KEZYTPWTIBYVBF-UKRRQHHQSA-N 1 0 326.868 3.252 20 10 EGCDRO CC[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000811506980 1318187008 /nfs/dbraw/zinc/18/70/08/1318187008.db2.gz NBQRSFSXPAMNBF-OAHLLOKOSA-N 1 0 346.393 3.174 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C(C)(F)F)cc1C ZINC000959846918 1318223392 /nfs/dbraw/zinc/22/33/92/1318223392.db2.gz MFWXFHHZSQKEBN-HNNXBMFYSA-N 1 0 340.414 3.130 20 10 EGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000811931986 1318292392 /nfs/dbraw/zinc/29/23/92/1318292392.db2.gz YIYSQABSJLEOBY-INIZCTEOSA-N 1 0 334.508 3.014 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000813331396 1318534871 /nfs/dbraw/zinc/53/48/71/1318534871.db2.gz NYCUYVHPXFYLLS-CQSZACIVSA-N 1 0 329.444 3.491 20 10 EGCDRO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000813331990 1318535247 /nfs/dbraw/zinc/53/52/47/1318535247.db2.gz YXBNSYBXXXAURS-CYBMUJFWSA-N 1 0 347.411 3.243 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3oc(C)cc3C)C2)cc1C ZINC001021948489 1318743129 /nfs/dbraw/zinc/74/31/29/1318743129.db2.gz QXBOVJHCYBJDKW-CALCHBBNSA-N 1 0 342.439 3.264 20 10 EGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000815063414 1318879787 /nfs/dbraw/zinc/87/97/87/1318879787.db2.gz ADLCRBSUTDCWLB-UHFFFAOYSA-N 1 0 326.440 3.480 20 10 EGCDRO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC12CCCCC2 ZINC000815078109 1318884134 /nfs/dbraw/zinc/88/41/34/1318884134.db2.gz OIHDZPNNBHTSFC-UHFFFAOYSA-N 1 0 343.515 3.428 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNCc3c(F)cc(F)cc3F)cc2)CC1 ZINC000815152440 1318914279 /nfs/dbraw/zinc/91/42/79/1318914279.db2.gz SXFQDCSNKJGHGT-UHFFFAOYSA-N 1 0 349.400 3.146 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@]3(C)C=CCC3)C2)cc1C ZINC001022559465 1318989100 /nfs/dbraw/zinc/98/91/00/1318989100.db2.gz QGYMKPJBGQVHQC-QKLQHJQFSA-N 1 0 328.456 3.097 20 10 EGCDRO CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000815584800 1319023010 /nfs/dbraw/zinc/02/30/10/1319023010.db2.gz PMRVEACXBLTEGO-CJNGLKHVSA-N 1 0 340.414 3.414 20 10 EGCDRO O=C([C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1)N1CCCC1 ZINC000816510127 1319168707 /nfs/dbraw/zinc/16/87/07/1319168707.db2.gz NNCWAIVIXLWOSX-GOSISDBHSA-N 1 0 338.451 3.380 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H](CC)CN1C(C)=O ZINC000816515612 1319170642 /nfs/dbraw/zinc/17/06/42/1319170642.db2.gz FOSALRYRARJEMM-KBPBESRZSA-N 1 0 342.842 3.406 20 10 EGCDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816551771 1319181229 /nfs/dbraw/zinc/18/12/29/1319181229.db2.gz OGVZHSPWWXZJLL-NVXWUHKLSA-N 1 0 326.440 3.282 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000816889449 1319239584 /nfs/dbraw/zinc/23/95/84/1319239584.db2.gz YMIBHRYDWFJVEO-LJQANCHMSA-N 1 0 338.451 3.230 20 10 EGCDRO COc1ccc([C@H](NCc2ccc3c(c2)CCO3)[C@H]2CCC[NH2+]2)cc1 ZINC000817902421 1319456228 /nfs/dbraw/zinc/45/62/28/1319456228.db2.gz QJCIQQXNFVEWST-CTNGQTDRSA-N 1 0 338.451 3.213 20 10 EGCDRO COc1ccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1 ZINC000817938177 1319466253 /nfs/dbraw/zinc/46/62/53/1319466253.db2.gz GHVHPRIBIBTUCW-DJJJIMSYSA-N 1 0 331.435 3.251 20 10 EGCDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000817938766 1319467306 /nfs/dbraw/zinc/46/73/06/1319467306.db2.gz RQIUROHJZZFHTQ-PMACEKPBSA-N 1 0 325.456 3.038 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2c1c(F)ccc2O ZINC000817939599 1319468790 /nfs/dbraw/zinc/46/87/90/1319468790.db2.gz CSNPIYXYMYHSDE-DQYPLSBCSA-N 1 0 343.446 3.435 20 10 EGCDRO CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817958160 1319477122 /nfs/dbraw/zinc/47/71/22/1319477122.db2.gz IKRVQEJFSUVFNB-UFBFGSQYSA-N 1 0 335.673 3.442 20 10 EGCDRO CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817961269 1319477846 /nfs/dbraw/zinc/47/78/46/1319477846.db2.gz ZVVZPUFMYGHAAS-SECBINFHSA-N 1 0 333.245 3.462 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CN)CC(C)C)c1O ZINC000817960359 1319477889 /nfs/dbraw/zinc/47/78/89/1319477889.db2.gz YEQFUMLLUJBISM-WCQYABFASA-N 1 0 329.282 3.487 20 10 EGCDRO CCC1(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1 ZINC000818221411 1319521705 /nfs/dbraw/zinc/52/17/05/1319521705.db2.gz LZUZFIBZIDUYDP-QGZVFWFLSA-N 1 0 332.488 3.318 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000818615413 1319571751 /nfs/dbraw/zinc/57/17/51/1319571751.db2.gz NXJXEURRDGADOX-ZEGGKSINSA-N 1 0 331.229 3.214 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000818625970 1319572120 /nfs/dbraw/zinc/57/21/20/1319572120.db2.gz AOGBCHMTPACNHW-GASCZTMLSA-N 1 0 331.485 3.320 20 10 EGCDRO CCOCCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000916837162 1319712018 /nfs/dbraw/zinc/71/20/18/1319712018.db2.gz YZLZXQOPVLQKTD-UHFFFAOYSA-N 1 0 335.448 3.491 20 10 EGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000917013447 1319738455 /nfs/dbraw/zinc/73/84/55/1319738455.db2.gz APAZKBHHVYRACE-FQEVSTJZSA-N 1 0 342.483 3.403 20 10 EGCDRO CCC(CC)C[N@H+](CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000917054746 1319744515 /nfs/dbraw/zinc/74/45/15/1319744515.db2.gz OWHMHOWRKGTRSE-UHFFFAOYSA-N 1 0 333.520 3.469 20 10 EGCDRO COc1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(O)c(C(C)(C)C)c1 ZINC000819898751 1319794674 /nfs/dbraw/zinc/79/46/74/1319794674.db2.gz YVRFUFINPKWDHJ-HNNXBMFYSA-N 1 0 344.459 3.127 20 10 EGCDRO CCOC(=O)CN(CCCc1ccsc1)Cc1ccccc1O ZINC000823575980 1320187981 /nfs/dbraw/zinc/18/79/81/1320187981.db2.gz GHIMVHLAMXGZOR-UHFFFAOYSA-N 1 0 333.453 3.452 20 10 EGCDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000823837296 1320210593 /nfs/dbraw/zinc/21/05/93/1320210593.db2.gz VGRBBJCLSGVZDQ-UHFFFAOYSA-N 1 0 327.476 3.133 20 10 EGCDRO CC[S@@](=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823876255 1320213000 /nfs/dbraw/zinc/21/30/00/1320213000.db2.gz KXCXOGZHRKBWTF-JOCHJYFZSA-N 1 0 336.526 3.243 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H](C)O1 ZINC000823955097 1320218096 /nfs/dbraw/zinc/21/80/96/1320218096.db2.gz HGZHJYYWOUGPBN-FHIRATQRSA-N 1 0 340.414 3.412 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]CCOc1ccc(Cl)c(F)c1)OCO2 ZINC000824789531 1320285461 /nfs/dbraw/zinc/28/54/61/1320285461.db2.gz DEVFCONVZSBHLY-UHFFFAOYSA-N 1 0 339.750 3.082 20 10 EGCDRO Fc1cc(C[NH2+]C[C@@H]2CCCC2(F)F)ccc1N1CCOCC1 ZINC000824800102 1320285959 /nfs/dbraw/zinc/28/59/59/1320285959.db2.gz TWRFTBKRLWTUMU-AWEZNQCLSA-N 1 0 328.378 3.187 20 10 EGCDRO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C[C@H]1C ZINC000824815677 1320288047 /nfs/dbraw/zinc/28/80/47/1320288047.db2.gz WREBUQHJYKGIIP-BXUZGUMPSA-N 1 0 328.250 3.320 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000824861068 1320291422 /nfs/dbraw/zinc/29/14/22/1320291422.db2.gz GMGRLZRCBSHJMM-OAHLLOKOSA-N 1 0 345.292 3.253 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825138635 1320314604 /nfs/dbraw/zinc/31/46/04/1320314604.db2.gz RLHSXILXQFIFRQ-OAHLLOKOSA-N 1 0 335.831 3.192 20 10 EGCDRO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000825275394 1320323207 /nfs/dbraw/zinc/32/32/07/1320323207.db2.gz KIVIVJMNGKXBFJ-GOEBONIOSA-N 1 0 332.444 3.224 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000825289884 1320323697 /nfs/dbraw/zinc/32/36/97/1320323697.db2.gz IUAWXPGFZWRMTM-ZBFHGGJFSA-N 1 0 332.444 3.142 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c1O ZINC000825311781 1320326476 /nfs/dbraw/zinc/32/64/76/1320326476.db2.gz OERJTZGMEGGJKF-KRWDZBQOSA-N 1 0 333.453 3.456 20 10 EGCDRO CCOC(=O)C1(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000825537603 1320345933 /nfs/dbraw/zinc/34/59/33/1320345933.db2.gz YSTJPHKCXTYTMV-UHFFFAOYSA-N 1 0 335.444 3.131 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1Cl ZINC000825753902 1320360484 /nfs/dbraw/zinc/36/04/84/1320360484.db2.gz WMXOCEKHNDFUJO-QGZVFWFLSA-N 1 0 325.836 3.124 20 10 EGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(Br)cc1O ZINC000825885408 1320368377 /nfs/dbraw/zinc/36/83/77/1320368377.db2.gz FYTXGAILSZIIHD-IUODEOHRSA-N 1 0 339.277 3.213 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000826065013 1320381286 /nfs/dbraw/zinc/38/12/86/1320381286.db2.gz SKDQDFFFZMMBHQ-ZDUSSCGKSA-N 1 0 328.275 3.482 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000827340670 1320445627 /nfs/dbraw/zinc/44/56/27/1320445627.db2.gz HKDSRTLSNAWYJA-ZVBHREPYSA-N 1 0 343.515 3.303 20 10 EGCDRO COc1ccc(N2CCCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)cc1 ZINC000827468073 1320455825 /nfs/dbraw/zinc/45/58/25/1320455825.db2.gz KVGOBGRLUNAJMH-FQEVSTJZSA-N 1 0 345.531 3.470 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCCCO3)cc2)CC1 ZINC000827479840 1320456520 /nfs/dbraw/zinc/45/65/20/1320456520.db2.gz ZRJADVHJGLNZPD-FQEVSTJZSA-N 1 0 332.488 3.303 20 10 EGCDRO CC(C)(C[NH2+]Cc1ccc2ccccc2c1O)[C@]1(O)CCCOC1 ZINC000827595179 1320461606 /nfs/dbraw/zinc/46/16/06/1320461606.db2.gz MCFJPUVBDINOFN-FQEVSTJZSA-N 1 0 329.440 3.203 20 10 EGCDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000836946674 1320556660 /nfs/dbraw/zinc/55/66/60/1320556660.db2.gz BLJFVPXSBPDOGZ-KRWDZBQOSA-N 1 0 340.471 3.045 20 10 EGCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838960420 1320843235 /nfs/dbraw/zinc/84/32/35/1320843235.db2.gz CWBCBJOIRUHMAR-ZDUSSCGKSA-N 1 0 341.293 3.300 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)c2ccccc2)c1 ZINC000839540184 1320934638 /nfs/dbraw/zinc/93/46/38/1320934638.db2.gz SKGRGBIRJZDQEE-UONOGXRCSA-N 1 0 328.412 3.103 20 10 EGCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920684 1320996191 /nfs/dbraw/zinc/99/61/91/1320996191.db2.gz SDWXQYAVZTXBPL-JKSUJKDBSA-N 1 0 333.520 3.275 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(OC(=O)N(C)C)CC2)cc1C(C)C ZINC000840091428 1321026000 /nfs/dbraw/zinc/02/60/00/1321026000.db2.gz WGUQJUHVACAQCY-UHFFFAOYSA-N 1 0 334.460 3.487 20 10 EGCDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000840810330 1321154087 /nfs/dbraw/zinc/15/40/87/1321154087.db2.gz RLLWVEJTMKTEAF-GDIGMMSISA-N 1 0 348.462 3.271 20 10 EGCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000840890401 1321172159 /nfs/dbraw/zinc/17/21/59/1321172159.db2.gz MHMBZBJTKFPANE-LSDHHAIUSA-N 1 0 335.467 3.380 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)C2(OC)CCC2)c1O ZINC000840969170 1321189680 /nfs/dbraw/zinc/18/96/80/1321189680.db2.gz BQULRMFCERJOTF-SNVBAGLBSA-N 1 0 344.249 3.211 20 10 EGCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000840976427 1321192682 /nfs/dbraw/zinc/19/26/82/1321192682.db2.gz WCMRODGKURJZIW-QAPCUYQASA-N 1 0 349.515 3.162 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](N)c2ccccc2)c1O ZINC000841037398 1321206093 /nfs/dbraw/zinc/20/60/93/1321206093.db2.gz PSHFRSDRDJFRKZ-HNNXBMFYSA-N 1 0 335.245 3.253 20 10 EGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000841042437 1321207389 /nfs/dbraw/zinc/20/73/89/1321207389.db2.gz JPPHBIRLOMZTFF-QGZVFWFLSA-N 1 0 335.398 3.144 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]CCSCc2ccccc2)cc1 ZINC000841043266 1321208466 /nfs/dbraw/zinc/20/84/66/1321208466.db2.gz QBNRUTSLYCCCRF-IBGZPJMESA-N 1 0 329.513 3.275 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnc(C3CCC3)s2)cc1 ZINC000841046196 1321209561 /nfs/dbraw/zinc/20/95/61/1321209561.db2.gz XUDHGQGMFXLIFR-QGZVFWFLSA-N 1 0 330.501 3.266 20 10 EGCDRO [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000841081177 1321215556 /nfs/dbraw/zinc/21/55/56/1321215556.db2.gz XNCXTWYNQOOBAW-HAQNSBGRSA-N 1 0 327.266 3.009 20 10 EGCDRO CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000841310364 1321252344 /nfs/dbraw/zinc/25/23/44/1321252344.db2.gz OJVIIRIQYXNNHL-UHFFFAOYSA-N 1 0 340.471 3.492 20 10 EGCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841745064 1321305479 /nfs/dbraw/zinc/30/54/79/1321305479.db2.gz NBYQYCXGCWXLEP-DZGCQCFKSA-N 1 0 335.831 3.445 20 10 EGCDRO COc1cc(NCc2ccc(N(C)C)cc2)ccc1OCC[NH+](C)C ZINC000841894345 1321328173 /nfs/dbraw/zinc/32/81/73/1321328173.db2.gz XKOIDQOHRGOONC-UHFFFAOYSA-N 1 0 343.471 3.314 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000841939403 1321330900 /nfs/dbraw/zinc/33/09/00/1321330900.db2.gz QEANKRORSHVMSU-QGZVFWFLSA-N 1 0 333.476 3.221 20 10 EGCDRO COCCn1c(C)c(C)c2cc(-c3nc([C@@H]4CCC[NH2+]4)no3)ccc21 ZINC000842644148 1321412715 /nfs/dbraw/zinc/41/27/15/1321412715.db2.gz QSZSVCWXLHYBRS-INIZCTEOSA-N 1 0 340.427 3.379 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1C ZINC000842744180 1321426691 /nfs/dbraw/zinc/42/66/91/1321426691.db2.gz PTPXHIFSWYBONL-HNNXBMFYSA-N 1 0 339.439 3.389 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCS[C@H]2C)c1O ZINC000842778040 1321431292 /nfs/dbraw/zinc/43/12/92/1321431292.db2.gz DJZATBKUICSGHQ-KWQFWETISA-N 1 0 332.263 3.147 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1cc(Br)ccc1O ZINC000842896740 1321447292 /nfs/dbraw/zinc/44/72/92/1321447292.db2.gz ZMNDJDNNHCBVHH-LLVKDONJSA-N 1 0 336.229 3.498 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(N2CCNC2=O)cc1 ZINC000842899179 1321447705 /nfs/dbraw/zinc/44/77/05/1321447705.db2.gz BPJHNFRGUVNGKA-CHWSQXEVSA-N 1 0 343.402 3.473 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)NCc1cccs1 ZINC000842907069 1321448475 /nfs/dbraw/zinc/44/84/75/1321448475.db2.gz CKNUJPLQSAWVJH-GJZGRUSLSA-N 1 0 330.453 3.126 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000843056720 1321463031 /nfs/dbraw/zinc/46/30/31/1321463031.db2.gz XQYFPEDQNDWBKQ-CQSZACIVSA-N 1 0 329.282 3.268 20 10 EGCDRO Cc1cc(Br)c(O)c(CN(CC[NH3+])Cc2ccccc2)c1 ZINC000843059896 1321463889 /nfs/dbraw/zinc/46/38/89/1321463889.db2.gz UCLFNRBSZPFALO-UHFFFAOYSA-N 1 0 349.272 3.424 20 10 EGCDRO COc1cc(OC)c(OC)cc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057430 1321464114 /nfs/dbraw/zinc/46/41/14/1321464114.db2.gz LTQIQDUXUUEMQS-UHFFFAOYSA-N 1 0 342.439 3.124 20 10 EGCDRO CCc1ccc([C@H]2C[NH2+]CCN2Cc2cccc(OC)c2O)cc1 ZINC000843116939 1321472463 /nfs/dbraw/zinc/47/24/63/1321472463.db2.gz IXSJSWWBAIKNCC-GOSISDBHSA-N 1 0 326.440 3.110 20 10 EGCDRO CCc1ccc([C@H]2C[NH2+]CCN2Cc2cc(OC)ccc2O)cc1 ZINC000843116162 1321472794 /nfs/dbraw/zinc/47/27/94/1321472794.db2.gz HSPBZHKMOHNOMP-LJQANCHMSA-N 1 0 326.440 3.110 20 10 EGCDRO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349547 1321503736 /nfs/dbraw/zinc/50/37/36/1321503736.db2.gz CUBDTIUUJYAYLA-ZDUSSCGKSA-N 1 0 334.423 3.308 20 10 EGCDRO Cc1ccc(N2CC[C@H](N3CCCc4cc(C[NH3+])ccc43)C2=O)cc1 ZINC000843350526 1321504238 /nfs/dbraw/zinc/50/42/38/1321504238.db2.gz ORVZDERARYRHMV-FQEVSTJZSA-N 1 0 335.451 3.012 20 10 EGCDRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000843415528 1321514822 /nfs/dbraw/zinc/51/48/22/1321514822.db2.gz CHHFZYCRAMVBRQ-RYUDHWBXSA-N 1 0 326.412 3.313 20 10 EGCDRO [NH3+][C@@H](C(=O)NCCCSc1nccs1)c1cccc(Cl)c1 ZINC000843439745 1321519298 /nfs/dbraw/zinc/51/92/98/1321519298.db2.gz OWRWGSXOSKRJFS-GFCCVEGCSA-N 1 0 341.889 3.095 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843487001 1321522240 /nfs/dbraw/zinc/52/22/40/1321522240.db2.gz YLNLUZYFPXKFCZ-QRWLVFNGSA-N 1 0 342.414 3.184 20 10 EGCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]([NH3+])CC(F)F ZINC000843484304 1321522496 /nfs/dbraw/zinc/52/24/96/1321522496.db2.gz JPBNLXWCBYWAFA-BBRMVZONSA-N 1 0 348.393 3.465 20 10 EGCDRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000845948980 1321758146 /nfs/dbraw/zinc/75/81/46/1321758146.db2.gz FBLHZTDABLEMRR-POAQFYNOSA-N 1 0 343.515 3.447 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cccc(OC)c2O)N(C)C)c1 ZINC000846137190 1321770336 /nfs/dbraw/zinc/77/03/36/1321770336.db2.gz KVBUEAOCEPHMFY-RDTXWAMCSA-N 1 0 344.455 3.363 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1O ZINC000846141381 1321770816 /nfs/dbraw/zinc/77/08/16/1321770816.db2.gz OEZDLEHFYNBMBI-OAHLLOKOSA-N 1 0 341.455 3.111 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000846160898 1321773024 /nfs/dbraw/zinc/77/30/24/1321773024.db2.gz UVRJWLOSXLHNOL-GFCCVEGCSA-N 1 0 327.380 3.469 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1O ZINC000846167961 1321773828 /nfs/dbraw/zinc/77/38/28/1321773828.db2.gz FWWWWMCBCGFZKW-PMUMKWKESA-N 1 0 328.412 3.367 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846173510 1321774221 /nfs/dbraw/zinc/77/42/21/1321774221.db2.gz SDRYCAROPSXPTQ-RDTXWAMCSA-N 1 0 344.455 3.363 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000846174725 1321774587 /nfs/dbraw/zinc/77/45/87/1321774587.db2.gz YTRXJLAOVKHHPR-DYVFJYSZSA-N 1 0 332.419 3.493 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847443847 1321872054 /nfs/dbraw/zinc/87/20/54/1321872054.db2.gz FGIOJYUIGIOIAP-MSOLQXFVSA-N 1 0 345.487 3.331 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000848568314 1321977881 /nfs/dbraw/zinc/97/78/81/1321977881.db2.gz FNTRXCAYSYVDEV-LEWJYISDSA-N 1 0 343.515 3.271 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848883917 1322028378 /nfs/dbraw/zinc/02/83/78/1322028378.db2.gz URXLQUFJIDUNHG-JTDSTZFVSA-N 1 0 332.488 3.028 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000848894601 1322034306 /nfs/dbraw/zinc/03/43/06/1322034306.db2.gz KYMPZVSQZZQERP-SFHVURJKSA-N 1 0 326.440 3.264 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccn(-c3ccc(OC)cc3)n2)c1O ZINC000848896155 1322035724 /nfs/dbraw/zinc/03/57/24/1322035724.db2.gz TXSXWHGSEYPORQ-UHFFFAOYSA-N 1 0 337.423 3.439 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@@](C)(C(=O)OC)c2ccccc2)c1O ZINC000848904842 1322040556 /nfs/dbraw/zinc/04/05/56/1322040556.db2.gz BWHHBSBNFYVKBG-HXUWFJFHSA-N 1 0 327.424 3.175 20 10 EGCDRO [NH2+]=C(NCc1ccc(N2CC=CC2)cc1)Nc1cc(F)ccc1F ZINC000849079431 1322069041 /nfs/dbraw/zinc/06/90/41/1322069041.db2.gz NOQRLDOWROGACN-UHFFFAOYSA-N 1 0 328.366 3.477 20 10 EGCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000919788301 1322107227 /nfs/dbraw/zinc/10/72/27/1322107227.db2.gz IFYGDTXIYBNCKH-HZPDHXFCSA-N 1 0 347.503 3.290 20 10 EGCDRO COc1cc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850180669 1322203339 /nfs/dbraw/zinc/20/33/39/1322203339.db2.gz BWUCUBJWSYYOPD-HIFRSBDPSA-N 1 0 332.488 3.413 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H](O)C(F)(F)F ZINC000850231968 1322211734 /nfs/dbraw/zinc/21/17/34/1322211734.db2.gz SKBGCHABSGLUAV-UKRRQHHQSA-N 1 0 349.393 3.490 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850316402 1322226804 /nfs/dbraw/zinc/22/68/04/1322226804.db2.gz JYDBLGPHAUBICH-ZDUSSCGKSA-N 1 0 331.460 3.153 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nccn3C(C)C)C2)cc1 ZINC000850331409 1322229652 /nfs/dbraw/zinc/22/96/52/1322229652.db2.gz YKRAGJMSFUXKOL-INIZCTEOSA-N 1 0 328.460 3.089 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2OC(F)F)c(O)c1 ZINC000850408378 1322240078 /nfs/dbraw/zinc/24/00/78/1322240078.db2.gz KIWUTHCQTZUCGA-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO O=C1NCCCN1c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000850414577 1322241840 /nfs/dbraw/zinc/24/18/40/1322241840.db2.gz ZYPQKCWKVWIKOC-UHFFFAOYSA-N 1 0 345.830 3.255 20 10 EGCDRO CC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(Cl)ccc1O ZINC000850558430 1322267266 /nfs/dbraw/zinc/26/72/66/1322267266.db2.gz WSTGTZHDWLVWOJ-NVXWUHKLSA-N 1 0 338.879 3.340 20 10 EGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000850567583 1322269790 /nfs/dbraw/zinc/26/97/90/1322269790.db2.gz GTFXVTJXIKYBDU-INIZCTEOSA-N 1 0 332.488 3.085 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c(O)c1 ZINC000850574764 1322270943 /nfs/dbraw/zinc/27/09/43/1322270943.db2.gz JPZANSBDBBNYRB-HNNXBMFYSA-N 1 0 339.439 3.471 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccccc1O ZINC000850574003 1322271082 /nfs/dbraw/zinc/27/10/82/1322271082.db2.gz ACEIWMNCZAIDPH-CQSZACIVSA-N 1 0 325.412 3.163 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1O ZINC000850579525 1322271907 /nfs/dbraw/zinc/27/19/07/1322271907.db2.gz VXIDVPZNLGQJMX-WBVHZDCISA-N 1 0 326.440 3.326 20 10 EGCDRO Cn1c(CC[NH2+]Cc2ccc3c(c2)CCCO3)nc2c1cccc2F ZINC000921745152 1322389827 /nfs/dbraw/zinc/38/98/27/1322389827.db2.gz RUKQSYPOZQAKGG-UHFFFAOYSA-N 1 0 339.414 3.370 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2cccc3c2OCC3)ccc1OC ZINC000922944049 1322655969 /nfs/dbraw/zinc/65/59/69/1322655969.db2.gz IQAQBEVLDJMXAW-UHFFFAOYSA-N 1 0 327.424 3.456 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H](C)CO)cc2)CC1 ZINC000852429268 1323190999 /nfs/dbraw/zinc/19/09/99/1323190999.db2.gz ZGFNZKYAMUSHSW-DYESRHJHSA-N 1 0 346.515 3.285 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CCO)cc2)CC1 ZINC000852460240 1323194142 /nfs/dbraw/zinc/19/41/42/1323194142.db2.gz BCAHGUZSCSMXJE-UTKZUKDTSA-N 1 0 346.515 3.285 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C2(CF)CC2)cc1C ZINC001025079921 1323883653 /nfs/dbraw/zinc/88/36/53/1323883653.db2.gz YJMZGTJFMYKBRH-QGZVFWFLSA-N 1 0 348.462 3.224 20 10 EGCDRO CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001025632547 1324484729 /nfs/dbraw/zinc/48/47/29/1324484729.db2.gz LVYFKKPUFZFNPZ-HIFRSBDPSA-N 1 0 345.447 3.089 20 10 EGCDRO CCCC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)[C@H]2C1 ZINC001026174796 1324642379 /nfs/dbraw/zinc/64/23/79/1324642379.db2.gz NVJCONPLWHTLBG-OKZBNKHCSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3C[C@@H]3C)CC2)cc1C ZINC001026543291 1324880384 /nfs/dbraw/zinc/88/03/84/1324880384.db2.gz OHPCWECOBQNMQX-CRZVIPCUSA-N 1 0 330.472 3.177 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)c1O ZINC000853585255 1325129447 /nfs/dbraw/zinc/12/94/47/1325129447.db2.gz PGRRRXUQGYGYIT-SFHVURJKSA-N 1 0 326.440 3.420 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)CC2 ZINC000854221959 1325229933 /nfs/dbraw/zinc/22/99/33/1325229933.db2.gz CHJBEVITXKXDKH-KZNAEPCWSA-N 1 0 326.415 3.254 20 10 EGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)CC2 ZINC000854223487 1325232202 /nfs/dbraw/zinc/23/22/02/1325232202.db2.gz GHPVTJADLQLLPP-KZNAEPCWSA-N 1 0 326.415 3.254 20 10 EGCDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000857084631 1325571258 /nfs/dbraw/zinc/57/12/58/1325571258.db2.gz YVMXZDKSVKHGNO-QUCCMNQESA-N 1 0 338.451 3.277 20 10 EGCDRO CC[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(C)cc1O ZINC000926907488 1327769037 /nfs/dbraw/zinc/76/90/37/1327769037.db2.gz JZINLQWPIXJLFB-QGZVFWFLSA-N 1 0 347.480 3.388 20 10 EGCDRO C[N@H+](CCC1CCOCC1)Cc1c(O)cccc1Br ZINC000862247576 1329470191 /nfs/dbraw/zinc/47/01/91/1329470191.db2.gz IUHMRHQPFZKXQN-UHFFFAOYSA-N 1 0 328.250 3.403 20 10 EGCDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862352061 1329477040 /nfs/dbraw/zinc/47/70/40/1329477040.db2.gz XHHIBPATXOCVBC-RYUDHWBXSA-N 1 0 328.250 3.280 20 10 EGCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862379042 1329480480 /nfs/dbraw/zinc/48/04/80/1329480480.db2.gz GXGIQGUNOCCUON-SFHVURJKSA-N 1 0 326.431 3.261 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc(C4CC4)o3)C2)cc1 ZINC000862397032 1329482520 /nfs/dbraw/zinc/48/25/20/1329482520.db2.gz AHZJVSIEICCWEH-CQSZACIVSA-N 1 0 327.428 3.177 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c(O)c1C ZINC000866435772 1330112086 /nfs/dbraw/zinc/11/20/86/1330112086.db2.gz FXIBKLFLWPLPSJ-DGCLKSJQSA-N 1 0 328.338 3.055 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(C)cc1O ZINC000866436199 1330112208 /nfs/dbraw/zinc/11/22/08/1330112208.db2.gz KMEXLPLPPYOYQD-JSGCOSHPSA-N 1 0 328.338 3.136 20 10 EGCDRO CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000969158531 1336166749 /nfs/dbraw/zinc/16/67/49/1336166749.db2.gz NLOMKVHRRWPRBE-MRXNPFEDSA-N 1 0 345.447 3.233 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@]3(C)C=CCC3)C2)cc1C ZINC000969622425 1336229965 /nfs/dbraw/zinc/22/99/65/1336229965.db2.gz JCFBIZJVLVOBPV-XLIONFOSSA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)C3CC3)C2)cc1C ZINC000969656736 1336233644 /nfs/dbraw/zinc/23/36/44/1336233644.db2.gz RJSIEINWAIRDHI-QGZVFWFLSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@]34C[C@H]3CCCC4)C2)cc1C ZINC000969875421 1336255967 /nfs/dbraw/zinc/25/59/67/1336255967.db2.gz KISPURBPNNCLES-DBXWQHBBSA-N 1 0 342.483 3.274 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206327011 1371023659 /nfs/dbraw/zinc/02/36/59/1371023659.db2.gz RGTXFFGAQFGSPA-MRXNPFEDSA-N 1 0 341.293 3.414 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)C(C)C)CC2)cc1C ZINC001029053671 1340919931 /nfs/dbraw/zinc/91/99/31/1340919931.db2.gz XRKQJMZDHXSOAC-INIZCTEOSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)c3ccco3)CC2)cc1C ZINC001034578991 1342625282 /nfs/dbraw/zinc/62/52/82/1342625282.db2.gz YZQHSFWKPOEBBO-QAQDUYKDSA-N 1 0 342.439 3.427 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@@H]2C)cc1C ZINC001035957173 1343287955 /nfs/dbraw/zinc/28/79/55/1343287955.db2.gz CBSWWUILBFEOET-NWLOJRJCSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CC2CC2)cc1C ZINC001036924256 1343867665 /nfs/dbraw/zinc/86/76/65/1343867665.db2.gz RADWBXRQEMMQIW-QZTJIDSGSA-N 1 0 330.472 3.178 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(C)co2)cc1C ZINC001045159999 1346510230 /nfs/dbraw/zinc/51/02/30/1346510230.db2.gz JATHKSYYCYBFBF-KRWDZBQOSA-N 1 0 342.439 3.299 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(C)CC=CC2)cc1C ZINC001045182816 1346517698 /nfs/dbraw/zinc/51/76/98/1346517698.db2.gz AVWJWUULDIYHAQ-SFHVURJKSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3ccoc3)C[C@H]2C)cc1C ZINC001048140865 1347479121 /nfs/dbraw/zinc/47/91/21/1347479121.db2.gz QYKWBMLMENBWRX-QAPCUYQASA-N 1 0 342.439 3.095 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]2C)cc1C ZINC001048191582 1347489183 /nfs/dbraw/zinc/48/91/83/1347489183.db2.gz FPVHVJCFYSJSEH-QFBILLFUSA-N 1 0 342.483 3.154 20 10 EGCDRO C/C=C(\C)C(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001048207746 1347494724 /nfs/dbraw/zinc/49/47/24/1347494724.db2.gz COZMWKJOXWKQFL-NSCIGHAJSA-N 1 0 330.472 3.154 20 10 EGCDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001323346319 1387346081 /nfs/dbraw/zinc/34/60/81/1387346081.db2.gz WIFPTQHWAIGDLC-KRWDZBQOSA-N 1 0 344.842 3.440 20 10 EGCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001324093422 1387538828 /nfs/dbraw/zinc/53/88/28/1387538828.db2.gz CBSQVPJAZZLPRE-GOSISDBHSA-N 1 0 330.472 3.152 20 10 EGCDRO CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC001324873920 1387799364 /nfs/dbraw/zinc/79/93/64/1387799364.db2.gz QINLXGLFQUMEHQ-WFASDCNBSA-N 1 0 325.412 3.392 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001325350995 1387947463 /nfs/dbraw/zinc/94/74/63/1387947463.db2.gz CRGDDSIMPBZSQG-BDXSIMOUSA-N 1 0 344.499 3.482 20 10 EGCDRO COCCOc1ccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC001201427363 1369543561 /nfs/dbraw/zinc/54/35/61/1369543561.db2.gz LMUSYAYJIFDTKN-GOSISDBHSA-N 1 0 330.472 3.190 20 10 EGCDRO CCCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C12CCC2 ZINC001202363348 1369750871 /nfs/dbraw/zinc/75/08/71/1369750871.db2.gz XTMIVSFMCCKZHA-ZWKOTPCHSA-N 1 0 330.472 3.321 20 10 EGCDRO O=C1OC2(CN1c1ccccc1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203555726 1370168388 /nfs/dbraw/zinc/16/83/88/1370168388.db2.gz FRJLGKUXRFDOQE-UHFFFAOYSA-N 1 0 338.407 3.384 20 10 EGCDRO COc1cccc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)c1O ZINC001203589741 1370180474 /nfs/dbraw/zinc/18/04/74/1370180474.db2.gz MUFKUXAORBGDPE-HZPDHXFCSA-N 1 0 344.480 3.026 20 10 EGCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)c1O ZINC001203600258 1370184078 /nfs/dbraw/zinc/18/40/78/1370184078.db2.gz ZZVALFCKKSPULK-UHFFFAOYSA-N 1 0 346.471 3.015 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001203602334 1370184966 /nfs/dbraw/zinc/18/49/66/1370184966.db2.gz PUDRPGTXQRXGLW-MLGOLLRUSA-N 1 0 347.377 3.316 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c1O ZINC001203614318 1370187843 /nfs/dbraw/zinc/18/78/43/1370187843.db2.gz WMJGJJMUUHPMNS-UHFFFAOYSA-N 1 0 341.455 3.207 20 10 EGCDRO COc1ccc(C[N@H+](C)CCc2cccc(C(F)(F)F)n2)c(O)c1 ZINC001203620356 1370190026 /nfs/dbraw/zinc/19/00/26/1370190026.db2.gz ATOBPOWENXWLGV-UHFFFAOYSA-N 1 0 340.345 3.489 20 10 EGCDRO COc1ccc(C[NH+]2CCN(C3(c4ccccc4)CC3)CC2)c(O)c1 ZINC001203634354 1370195009 /nfs/dbraw/zinc/19/50/09/1370195009.db2.gz ARHMPYASPPINHH-UHFFFAOYSA-N 1 0 338.451 3.208 20 10 EGCDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(OC)cc1O ZINC001203634530 1370195220 /nfs/dbraw/zinc/19/52/20/1370195220.db2.gz KOHJIOJBACQTPV-UHFFFAOYSA-N 1 0 338.448 3.090 20 10 EGCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c(O)c1 ZINC001203635019 1370195419 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C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1ccc(O)c(O)c1 ZINC001203884806 1370299048 /nfs/dbraw/zinc/29/90/48/1370299048.db2.gz ZKFZFNOPHIQCDS-HZPDHXFCSA-N 1 0 326.440 3.193 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC001203933575 1370320519 /nfs/dbraw/zinc/32/05/19/1370320519.db2.gz ADJAYAZMMHHXGQ-UHFFFAOYSA-N 1 0 328.431 3.375 20 10 EGCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c4ccccc34)C[C@@H]21 ZINC001204240532 1370419006 /nfs/dbraw/zinc/41/90/06/1370419006.db2.gz WZXYWABSSOKEOA-RUYXUALKSA-N 1 0 338.451 3.147 20 10 EGCDRO Oc1ccc(C[N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)c(O)c1 ZINC001204277597 1370429586 /nfs/dbraw/zinc/42/95/86/1370429586.db2.gz GJUSQWUTQNEIHF-OAQYLSRUSA-N 1 0 338.451 3.338 20 10 EGCDRO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204277765 1370430195 /nfs/dbraw/zinc/43/01/95/1370430195.db2.gz LFEWQPGCVMWLNI-OAHLLOKOSA-N 1 0 333.428 3.043 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC001116385573 1370900633 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ZINC001130566494 1373561170 /nfs/dbraw/zinc/56/11/70/1373561170.db2.gz HAWCZOIAPZTICB-ROUUACIJSA-N 1 0 332.488 3.426 20 10 EGCDRO O=[N+]([O-])c1ccc(/N=N/c2ccc(OC[C@H]3C[NH2+]CCO3)cc2)cc1 ZINC001218178535 1373573385 /nfs/dbraw/zinc/57/33/85/1373573385.db2.gz XKNORHSTUSAMPE-NHKNDPDJSA-N 1 0 342.355 3.377 20 10 EGCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cccc21 ZINC001218185289 1373574448 /nfs/dbraw/zinc/57/44/48/1373574448.db2.gz YQWFEWNWBAMWIA-WDNDVIMCSA-N 1 0 333.387 3.124 20 10 EGCDRO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188252174 1388275427 /nfs/dbraw/zinc/27/54/27/1388275427.db2.gz YYLOODAVLOHPMT-LYKJZRICSA-N 1 0 343.431 3.009 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc3ncccc32)cc1C ZINC001132058613 1375124854 /nfs/dbraw/zinc/12/48/54/1375124854.db2.gz LOQGMCATNAKXOG-UHFFFAOYSA-N 1 0 349.434 3.071 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(F)F)cc1C ZINC001133490995 1376038668 /nfs/dbraw/zinc/03/86/68/1376038668.db2.gz KZQYFMMFWGBREG-STQMWFEESA-N 1 0 328.403 3.032 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2ccoc2)cc1C ZINC001133716918 1376172530 /nfs/dbraw/zinc/17/25/30/1376172530.db2.gz DJSQZEAVLRTBLO-LSDHHAIUSA-N 1 0 330.428 3.283 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(F)(F)F)cc1C ZINC001133854679 1376234136 /nfs/dbraw/zinc/23/41/36/1376234136.db2.gz ZJGITMGSMNCDPM-OLZOCXBDSA-N 1 0 346.393 3.329 20 10 EGCDRO Cc1cccc(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)c1O ZINC001231592773 1376273499 /nfs/dbraw/zinc/27/34/99/1376273499.db2.gz UMNGUWLGVWSUCW-IRXDYDNUSA-N 1 0 328.481 3.326 20 10 EGCDRO Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c1O ZINC001231592239 1376273948 /nfs/dbraw/zinc/27/39/48/1376273948.db2.gz PIBGLPYSQGYNBS-UHFFFAOYSA-N 1 0 332.444 3.143 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2CC=CC2)cc1C ZINC001133975161 1376293530 /nfs/dbraw/zinc/29/35/30/1376293530.db2.gz VKHGDEFQLORVDU-HZPDHXFCSA-N 1 0 330.472 3.343 20 10 EGCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231845129 1376325892 /nfs/dbraw/zinc/32/58/92/1376325892.db2.gz WJPYXXKRAFNLNE-FXAWDEMLSA-N 1 0 333.472 3.417 20 10 EGCDRO CCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001231867581 1376328308 /nfs/dbraw/zinc/32/83/08/1376328308.db2.gz MTRQTGPJIPIBDN-UHFFFAOYSA-N 1 0 336.863 3.331 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)cc1Cl ZINC001231871421 1376332632 /nfs/dbraw/zinc/33/26/32/1376332632.db2.gz KNBPATJTOGUNJS-AWEZNQCLSA-N 1 0 333.819 3.106 20 10 EGCDRO Cc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)nc1 ZINC001231871246 1376333130 /nfs/dbraw/zinc/33/31/30/1376333130.db2.gz HFFAJVVSKGZMEX-AWEZNQCLSA-N 1 0 333.819 3.106 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2[nH]ccc2C)cc1C ZINC001134244107 1376429654 /nfs/dbraw/zinc/42/96/54/1376429654.db2.gz GYOQLKDLXKSGFC-JKSUJKDBSA-N 1 0 343.471 3.327 20 10 EGCDRO Cc1cccnc1OC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079429 1376564647 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GPYOKJGDWLVAMJ-QZTJIDSGSA-N 1 0 339.370 3.485 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC001328659454 1388799761 /nfs/dbraw/zinc/79/97/61/1388799761.db2.gz KIVZZRNOGBGHDN-QGZVFWFLSA-N 1 0 326.488 3.249 20 10 EGCDRO CCc1nc2c(nc(C)cc2C)n1Cc1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC001164286401 1383174674 /nfs/dbraw/zinc/17/46/74/1383174674.db2.gz NLRFVILFTBAFCP-QGZVFWFLSA-N 1 0 349.482 3.196 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-c4nnco4)cc3)cc2)CC1 ZINC001167434293 1383632752 /nfs/dbraw/zinc/63/27/52/1383632752.db2.gz HJSVJDBJHKTOFR-UHFFFAOYSA-N 1 0 349.438 3.101 20 10 EGCDRO CC(C)Oc1cccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167437000 1383633712 /nfs/dbraw/zinc/63/37/12/1383633712.db2.gz KRKDGCJRNQKDAW-UHFFFAOYSA-N 1 0 340.471 3.233 20 10 EGCDRO COc1c(F)cc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1[N+](=O)[O-] ZINC001167625077 1383691755 /nfs/dbraw/zinc/69/17/55/1383691755.db2.gz MBMSURKFJAXXMK-UHFFFAOYSA-N 1 0 325.384 3.227 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001168038419 1383802111 /nfs/dbraw/zinc/80/21/11/1383802111.db2.gz MXZZDUCUMUNLOP-ZWKOTPCHSA-N 1 0 330.472 3.036 20 10 EGCDRO COc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(O)c(O)c3)CCO2)cc1 ZINC001168603290 1383946103 /nfs/dbraw/zinc/94/61/03/1383946103.db2.gz XFEYFWJXLFDPMO-BEFAXECRSA-N 1 0 329.396 3.116 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)C2CCCC2)cc1C ZINC001170770653 1384383721 /nfs/dbraw/zinc/38/37/21/1384383721.db2.gz DOGBAHRAZRTQGC-MRXNPFEDSA-N 1 0 332.488 3.426 20 10 EGCDRO COC(=O)c1c[nH]c2nc(NCc3cc4ccccc4cc3O)[nH+]cc12 ZINC001171399764 1384513085 /nfs/dbraw/zinc/51/30/85/1384513085.db2.gz KZURYALMDXMFEP-UHFFFAOYSA-N 1 0 348.362 3.167 20 10 EGCDRO C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC001329025095 1388934088 /nfs/dbraw/zinc/93/40/88/1388934088.db2.gz XSAKIEBRLTVNPT-IUCAKERBSA-N 1 0 335.673 3.314 20 10 EGCDRO Fc1cc2c(cc1F)CC([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001173475682 1384977307 /nfs/dbraw/zinc/97/73/07/1384977307.db2.gz PMQVTQVKROXLOD-UHFFFAOYSA-N 1 0 344.405 3.058 20 10 EGCDRO Oc1cc2c(cc1O)C[N@@H+](C1Cc3cc(F)c(F)cc3C1)CCC2 ZINC001173483997 1384980066 /nfs/dbraw/zinc/98/00/66/1384980066.db2.gz MWKPHNAMIONEJF-UHFFFAOYSA-N 1 0 331.362 3.292 20 10 EGCDRO Cc1cc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc(C)[nH+]1 ZINC001176056999 1385473940 /nfs/dbraw/zinc/47/39/40/1385473940.db2.gz JCXXKMFQCXSXPK-UHFFFAOYSA-N 1 0 343.386 3.222 20 10 EGCDRO CN1CCN(c2ccc(C[N@H+](C)C(C3CC3)C3CC3)cc2F)CC1 ZINC001319815045 1386311191 /nfs/dbraw/zinc/31/11/91/1386311191.db2.gz OAKWIDKCFVBFIO-UHFFFAOYSA-N 1 0 331.479 3.198 20 10 EGCDRO O[C@@H]([C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001319951101 1386412781 /nfs/dbraw/zinc/41/27/81/1386412781.db2.gz YFXKOISZZQTFEM-CVEARBPZSA-N 1 0 328.378 3.174 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC001320118162 1386524732 /nfs/dbraw/zinc/52/47/32/1386524732.db2.gz GDSDIXCNPCQVFU-KGLIPLIRSA-N 1 0 326.444 3.357 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC001320158825 1386541274 /nfs/dbraw/zinc/54/12/74/1386541274.db2.gz AIIYXTJNYGXBFT-IBGZPJMESA-N 1 0 343.446 3.249 20 10 EGCDRO CC[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc(C)cc1O ZINC001321236377 1386851607 /nfs/dbraw/zinc/85/16/07/1386851607.db2.gz RMRGDVOPFBNSLI-INIZCTEOSA-N 1 0 340.423 3.167 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001321753150 1386975757 /nfs/dbraw/zinc/97/57/57/1386975757.db2.gz VODBBYQUHORUPZ-OALUTQOASA-N 1 0 343.515 3.223 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CCCCCn3cccn3)CC2)cc1 ZINC001336434757 1389098819 /nfs/dbraw/zinc/09/88/19/1389098819.db2.gz IRAHQZPMNISSPR-UHFFFAOYSA-N 1 0 342.487 3.274 20 10 EGCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001329791023 1389225842 /nfs/dbraw/zinc/22/58/42/1389225842.db2.gz GGSZWIIRBMJYOV-WBVHZDCISA-N 1 0 342.405 3.280 20 10 EGCDRO CCOC1CC(CC[NH2+]Cc2c(O)cccc2Br)C1 ZINC001331277854 1389682352 /nfs/dbraw/zinc/68/23/52/1389682352.db2.gz SYPKJOSMNSQOBJ-UHFFFAOYSA-N 1 0 328.250 3.450 20 10 EGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001338752207 1389752576 /nfs/dbraw/zinc/75/25/76/1389752576.db2.gz UCHDMGOICDKMLL-IRXDYDNUSA-N 1 0 333.495 3.493 20 10 EGCDRO COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc(N)cc3)CC2)c1 ZINC001335284640 1390666641 /nfs/dbraw/zinc/66/66/41/1390666641.db2.gz GGFUKGFFERHXJU-MRXNPFEDSA-N 1 0 325.456 3.156 20 10 EGCDRO O=C(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)Nc1cccnc1 ZINC001335313620 1390670676 /nfs/dbraw/zinc/67/06/76/1390670676.db2.gz HRJBDJVLVYNQEU-UHFFFAOYSA-N 1 0 338.455 3.190 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001345159816 1390842236 /nfs/dbraw/zinc/84/22/36/1390842236.db2.gz MZCFZBOYZNBKSQ-ZBFHGGJFSA-N 1 0 333.476 3.252 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNC(=O)C34CCC(CC3)CC4)cc2)CC1 ZINC001353791008 1392089561 /nfs/dbraw/zinc/08/95/61/1392089561.db2.gz WZJHTEQBIKSRGK-UHFFFAOYSA-N 1 0 341.499 3.025 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2ccc(C)o2)cc1C ZINC001753006086 1440265763 /nfs/dbraw/zinc/26/57/63/1440265763.db2.gz LWPISOAOHFUYCW-OAHLLOKOSA-N 1 0 344.455 3.132 20 10 EGCDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccoc2C2CC2)cc1C ZINC001753225285 1440340577 /nfs/dbraw/zinc/34/05/77/1440340577.db2.gz VSUJMXFOPSRGIY-UHFFFAOYSA-N 1 0 342.439 3.336 20 10 EGCDRO CC[C@H](CNC(=O)[C@H]1CC=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753467663 1440413171 /nfs/dbraw/zinc/41/31/71/1440413171.db2.gz WQBJETTULFAZGX-ZWKOTPCHSA-N 1 0 330.472 3.344 20 10 EGCDRO CC[C@@H](CNC(=O)c1cccnc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753484977 1440417559 /nfs/dbraw/zinc/41/75/59/1440417559.db2.gz UOHWTHGQIXEHEG-KRWDZBQOSA-N 1 0 341.455 3.005 20 10 EGCDRO COc1ccc(C[NH2+]CCC2CCN(C(=O)C(C)C)CC2)cc1C ZINC001753564266 1440437385 /nfs/dbraw/zinc/43/73/85/1440437385.db2.gz FQKZIKWZEUSSOH-UHFFFAOYSA-N 1 0 332.488 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC2(C)C)cc1C ZINC001753640623 1440454299 /nfs/dbraw/zinc/45/42/99/1440454299.db2.gz STTKIGFYKDRJIO-YOEHRIQHSA-N 1 0 332.488 3.282 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)C(C)(C)C(F)F)cc1C ZINC001754168609 1440546784 /nfs/dbraw/zinc/54/67/84/1440546784.db2.gz OBQBYLHYYXBBIG-WAYWQWQTSA-N 1 0 340.414 3.057 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1O ZINC000776175850 1126109514 /nfs/dbraw/zinc/10/95/14/1126109514.db2.gz VWMXMZXNKXORQG-DOTOQJQBSA-N 1 0 339.357 3.325 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000237820534 455222161 /nfs/dbraw/zinc/22/21/61/455222161.db2.gz YTWQNNSWEGMGJG-KRWDZBQOSA-N 1 0 325.456 3.213 20 10 EGCDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000180705105 455231698 /nfs/dbraw/zinc/23/16/98/455231698.db2.gz CNQWAWCDSVIATL-CVEARBPZSA-N 1 0 333.453 3.087 20 10 EGCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000183217497 455253034 /nfs/dbraw/zinc/25/30/34/455253034.db2.gz PMRNZNJRCXPGEK-CQSZACIVSA-N 1 0 335.467 3.239 20 10 EGCDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000183251282 455261320 /nfs/dbraw/zinc/26/13/20/455261320.db2.gz QLZRGPXKRGBVFE-CYBMUJFWSA-N 1 0 326.375 3.305 20 10 EGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1=O)c1ccccc1O ZINC000183327663 455277398 /nfs/dbraw/zinc/27/73/98/455277398.db2.gz QFPIBBXLUYXEJB-CVEARBPZSA-N 1 0 340.423 3.247 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1O ZINC000190306354 455295450 /nfs/dbraw/zinc/29/54/50/455295450.db2.gz KPPFSEILTOTLGE-RISCZKNCSA-N 1 0 328.250 3.104 20 10 EGCDRO CCN(CC)[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)c1ccco1 ZINC000181256056 455308550 /nfs/dbraw/zinc/30/85/50/455308550.db2.gz INQMZFCUBJWRNH-OAHLLOKOSA-N 1 0 348.443 3.175 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1C ZINC000029889548 453832476 /nfs/dbraw/zinc/83/24/76/453832476.db2.gz UAOHSMOPKFOEPP-UHFFFAOYSA-N 1 0 338.451 3.357 20 10 EGCDRO C[N@H+](CC(=O)N1CCCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000052686761 453841439 /nfs/dbraw/zinc/84/14/39/453841439.db2.gz WRBPMCGJDKGKOK-UHFFFAOYSA-N 1 0 329.488 3.121 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1 ZINC000089629591 454170366 /nfs/dbraw/zinc/17/03/66/454170366.db2.gz XKYJEVSVRZSVRA-AWEZNQCLSA-N 1 0 326.506 3.007 20 10 EGCDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1=O ZINC000089728915 454183723 /nfs/dbraw/zinc/18/37/23/454183723.db2.gz HWUDIVYKDUPNHG-APWZRJJASA-N 1 0 329.488 3.337 20 10 EGCDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000160170457 455434116 /nfs/dbraw/zinc/43/41/16/455434116.db2.gz IPJOTASZBVHOKB-HNNXBMFYSA-N 1 0 325.456 3.353 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090590218 454325076 /nfs/dbraw/zinc/32/50/76/454325076.db2.gz YGAZNIOJVAHBNU-GDBMZVCRSA-N 1 0 338.467 3.110 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000121140379 454397377 /nfs/dbraw/zinc/39/73/77/454397377.db2.gz GTXZDLWDMPPADA-WIYYLYMNSA-N 1 0 341.451 3.279 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(O)c1 ZINC000091960796 454495276 /nfs/dbraw/zinc/49/52/76/454495276.db2.gz HJLXZKVRWGRMDC-MAUKXSAKSA-N 1 0 329.444 3.461 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000092380781 454558999 /nfs/dbraw/zinc/55/89/99/454558999.db2.gz AOXMVPCQXOTPLF-UHFFFAOYSA-N 1 0 342.439 3.122 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c(O)c1 ZINC000092814165 454639584 /nfs/dbraw/zinc/63/95/84/454639584.db2.gz LIDXFDZYUBYGST-HNNXBMFYSA-N 1 0 345.443 3.327 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000093388070 454709821 /nfs/dbraw/zinc/70/98/21/454709821.db2.gz UWKBOMSZCLCPGC-IBGZPJMESA-N 1 0 327.424 3.273 20 10 EGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093418839 454715480 /nfs/dbraw/zinc/71/54/80/454715480.db2.gz GBLDLWQPKIMRGC-GFCCVEGCSA-N 1 0 328.250 3.403 20 10 EGCDRO O=C1CCCCN1CC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093532125 454719822 /nfs/dbraw/zinc/71/98/22/454719822.db2.gz VWZUWIUPNSQJCL-UHFFFAOYSA-N 1 0 336.863 3.270 20 10 EGCDRO CNC(=O)CC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093587787 454722330 /nfs/dbraw/zinc/72/23/30/454722330.db2.gz MRSDJLVJUQKQRY-UHFFFAOYSA-N 1 0 329.488 3.025 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1O)c1cccs1 ZINC000153016195 454752873 /nfs/dbraw/zinc/75/28/73/454752873.db2.gz GMFIRACEKHSDMU-CQSZACIVSA-N 1 0 342.258 3.214 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000191308614 455476040 /nfs/dbraw/zinc/47/60/40/455476040.db2.gz YIBOHKJBMZXYKQ-JTQLQIEISA-N 1 0 339.773 3.087 20 10 EGCDRO O=C(CCC[NH2+]Cc1ccc2c(c1)CCO2)N1Cc2ccccc2C1 ZINC000111406079 454863999 /nfs/dbraw/zinc/86/39/99/454863999.db2.gz XTFJEZCBHPFJQZ-UHFFFAOYSA-N 1 0 336.435 3.034 20 10 EGCDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000154135735 454868435 /nfs/dbraw/zinc/86/84/35/454868435.db2.gz VEPRTDLXNAZAJN-IBGZPJMESA-N 1 0 346.496 3.267 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000184997821 455483599 /nfs/dbraw/zinc/48/35/99/455483599.db2.gz KHZAXWKJTMZWQD-RYUDHWBXSA-N 1 0 339.277 3.290 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(N(C)C)cc1 ZINC000151060638 454931473 /nfs/dbraw/zinc/93/14/73/454931473.db2.gz PUFRUERSIZONGF-KRWDZBQOSA-N 1 0 339.483 3.440 20 10 EGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000154990548 454950996 /nfs/dbraw/zinc/95/09/96/454950996.db2.gz NUVDNNYADVXNRJ-KDOFPFPSSA-N 1 0 338.467 3.374 20 10 EGCDRO O=C(NCCCCCCC[NH+]1CCCC1)NCc1ccccc1O ZINC000267056470 455497304 /nfs/dbraw/zinc/49/73/04/455497304.db2.gz HMXWWWSJMDALCF-UHFFFAOYSA-N 1 0 333.476 3.238 20 10 EGCDRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180249690 455151719 /nfs/dbraw/zinc/15/17/19/455151719.db2.gz JHBGMGDREYTUDD-RDJZCZTQSA-N 1 0 336.451 3.272 20 10 EGCDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000180325325 455157918 /nfs/dbraw/zinc/15/79/18/455157918.db2.gz OHECTOQAHFWFQM-UHFFFAOYSA-N 1 0 343.515 3.367 20 10 EGCDRO COc1cc(O)c(C[NH2+]C2(c3nccs3)CCCC2)cc1OC ZINC000160517382 455468467 /nfs/dbraw/zinc/46/84/67/455468467.db2.gz CCDSENAEOBZVIG-UHFFFAOYSA-N 1 0 334.441 3.425 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000184923731 455473682 /nfs/dbraw/zinc/47/36/82/455473682.db2.gz NRKFOMSZSKECQV-HNNXBMFYSA-N 1 0 326.440 3.110 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cc(F)ccc1O ZINC000185033596 455489151 /nfs/dbraw/zinc/48/91/51/455489151.db2.gz QFZYJPPFLGOWSR-KGLIPLIRSA-N 1 0 345.418 3.002 20 10 EGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000185123131 455506383 /nfs/dbraw/zinc/50/63/83/455506383.db2.gz YDMREEVWBTWMBX-UONOGXRCSA-N 1 0 348.468 3.021 20 10 EGCDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185195954 455519983 /nfs/dbraw/zinc/51/99/83/455519983.db2.gz AEQSLEBABOFCKH-MRXNPFEDSA-N 1 0 326.440 3.400 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3c(cccc3OC)C2)c1 ZINC000185334641 455542394 /nfs/dbraw/zinc/54/23/94/455542394.db2.gz YPECAXHKOOUJDH-JSGCOSHPSA-N 1 0 329.396 3.064 20 10 EGCDRO CCN1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000161184226 455545720 /nfs/dbraw/zinc/54/57/20/455545720.db2.gz IKPNZHXEKFEXNS-LJQANCHMSA-N 1 0 331.504 3.128 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@](=O)C1 ZINC000277569238 455601548 /nfs/dbraw/zinc/60/15/48/455601548.db2.gz SMLLWYOSWKZCJL-WNSKOXEYSA-N 1 0 329.465 3.260 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c(O)c1 ZINC000283912909 455610524 /nfs/dbraw/zinc/61/05/24/455610524.db2.gz DJQVUDSLKRIXMA-KRWDZBQOSA-N 1 0 332.488 3.305 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185866881 455637125 /nfs/dbraw/zinc/63/71/25/455637125.db2.gz AHWFTHSZHNHRES-CYBMUJFWSA-N 1 0 343.471 3.426 20 10 EGCDRO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1[O-] ZINC000185869892 455638737 /nfs/dbraw/zinc/63/87/37/455638737.db2.gz IYAFIHLHUSJVDA-AWEZNQCLSA-N 1 0 329.419 3.494 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1O ZINC000268311387 455647398 /nfs/dbraw/zinc/64/73/98/455647398.db2.gz XQRSWBBWYFVSOQ-DOTOQJQBSA-N 1 0 347.386 3.415 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1N(C)C ZINC000271498262 455661008 /nfs/dbraw/zinc/66/10/08/455661008.db2.gz MWENXISHEIRPNV-HNNXBMFYSA-N 1 0 337.467 3.431 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)n(C)n1 ZINC000284341705 455672026 /nfs/dbraw/zinc/67/20/26/455672026.db2.gz MVJBKGQZYZEWSI-NSHDSACASA-N 1 0 338.249 3.356 20 10 EGCDRO C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cc(F)ccc1O ZINC000186039392 455682176 /nfs/dbraw/zinc/68/21/76/455682176.db2.gz QCNLDMZXUSVHQN-NSHDSACASA-N 1 0 331.366 3.450 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)c1 ZINC000192864084 455708530 /nfs/dbraw/zinc/70/85/30/455708530.db2.gz GTERHWJICGJZQK-CYBMUJFWSA-N 1 0 331.412 3.311 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1 ZINC000268871174 455716933 /nfs/dbraw/zinc/71/69/33/455716933.db2.gz GFRNPUBDMIRGOA-SZMVWBNQSA-N 1 0 331.504 3.440 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000268900202 455723717 /nfs/dbraw/zinc/72/37/17/455723717.db2.gz LCKLBIWYFDQMJL-LNLFQRSKSA-N 1 0 331.504 3.440 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000271723387 455734682 /nfs/dbraw/zinc/73/46/82/455734682.db2.gz OETIBFOMKHEOQO-ILXRZTDVSA-N 1 0 340.414 3.414 20 10 EGCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000271775319 455754554 /nfs/dbraw/zinc/75/45/54/455754554.db2.gz CMFKAJPLJFZYJI-ORAYPTAESA-N 1 0 331.412 3.275 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000186373693 455755513 /nfs/dbraw/zinc/75/55/13/455755513.db2.gz RHKOSRFECZXBHG-CQSZACIVSA-N 1 0 333.453 3.345 20 10 EGCDRO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccccc2O)C1=O ZINC000292969362 455769121 /nfs/dbraw/zinc/76/91/21/455769121.db2.gz KEXCFAIKXVDILE-KBXCAEBGSA-N 1 0 342.414 3.373 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000293438437 455786450 /nfs/dbraw/zinc/78/64/50/455786450.db2.gz OSGULOQFCVDFAA-HNNXBMFYSA-N 1 0 325.456 3.305 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000294127939 455806228 /nfs/dbraw/zinc/80/62/28/455806228.db2.gz UGBUQUJUBNEDQG-QGZVFWFLSA-N 1 0 327.852 3.285 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H]3CCSC3)cc2F)C[C@@H](C)O1 ZINC000278299381 455811062 /nfs/dbraw/zinc/81/10/62/455811062.db2.gz CMBTZGHYYOUERP-FMKPAKJESA-N 1 0 338.492 3.282 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C(=O)NCCF ZINC000294329480 455811583 /nfs/dbraw/zinc/81/15/83/455811583.db2.gz OWDVFXGNVQFKTB-QAPCUYQASA-N 1 0 344.430 3.130 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000294527554 455818265 /nfs/dbraw/zinc/81/82/65/455818265.db2.gz GSNYCCIZRNXRGM-INIZCTEOSA-N 1 0 343.496 3.082 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c(O)c1 ZINC000294616298 455821296 /nfs/dbraw/zinc/82/12/96/455821296.db2.gz DZNMEGCSEPBNCM-ZDUSSCGKSA-N 1 0 348.393 3.368 20 10 EGCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295313430 455846467 /nfs/dbraw/zinc/84/64/67/455846467.db2.gz YNJJRRUIZPKYBA-IBGZPJMESA-N 1 0 348.512 3.262 20 10 EGCDRO O=C1CCCN1Cc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295828999 455860419 /nfs/dbraw/zinc/86/04/19/455860419.db2.gz DVEMILUGCNUPMH-SFHVURJKSA-N 1 0 336.435 3.292 20 10 EGCDRO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000279946496 455877737 /nfs/dbraw/zinc/87/77/37/455877737.db2.gz YGPXQEQFNGHBPK-UHFFFAOYSA-N 1 0 325.412 3.005 20 10 EGCDRO COc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000187514210 455920156 /nfs/dbraw/zinc/92/01/56/455920156.db2.gz VLZZYFGCGUFQPA-SFHVURJKSA-N 1 0 341.386 3.153 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(C)cc1O ZINC000285822136 455923088 /nfs/dbraw/zinc/92/30/88/455923088.db2.gz XFFWWTJIDFQBTM-HOCLYGCPSA-N 1 0 346.393 3.004 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@]2(CCOC2)O1 ZINC000280325443 455947096 /nfs/dbraw/zinc/94/70/96/455947096.db2.gz QSDNKZOIUNKZAI-IIBYNOLFSA-N 1 0 339.435 3.439 20 10 EGCDRO C[NH+](C)C1CCN(c2ccc(NCc3cc(F)ccc3O)nc2)CC1 ZINC000272524113 455981748 /nfs/dbraw/zinc/98/17/48/455981748.db2.gz YTMDSDQMYCBHCW-UHFFFAOYSA-N 1 0 344.434 3.069 20 10 EGCDRO O=C1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1c1c(F)cccc1F ZINC000296739586 456025768 /nfs/dbraw/zinc/02/57/68/456025768.db2.gz JGMATMRQLWGSNI-WFASDCNBSA-N 1 0 344.361 3.053 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693265 456042535 /nfs/dbraw/zinc/04/25/35/456042535.db2.gz XHYRWLFMDCDHJE-CABCVRRESA-N 1 0 334.460 3.436 20 10 EGCDRO CC(C)C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)Nc1nccs1 ZINC000296833367 456048654 /nfs/dbraw/zinc/04/86/54/456048654.db2.gz MRQNSJDCDSUKJL-ZIAGYGMSSA-N 1 0 345.468 3.479 20 10 EGCDRO Cc1noc(CCC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280784183 456051950 /nfs/dbraw/zinc/05/19/50/456051950.db2.gz FXDOUDANGNRAJE-UHFFFAOYSA-N 1 0 342.365 3.185 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000287584813 456072428 /nfs/dbraw/zinc/07/24/28/456072428.db2.gz RFCUJJJMCWXOQY-CQSZACIVSA-N 1 0 338.407 3.038 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000287695241 456076068 /nfs/dbraw/zinc/07/60/68/456076068.db2.gz WXCOKMRERTUOON-CQSZACIVSA-N 1 0 338.407 3.038 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(-n2ccnn2)c1 ZINC000287689742 456076163 /nfs/dbraw/zinc/07/61/63/456076163.db2.gz NCLMIHIMTPQFMU-AWEZNQCLSA-N 1 0 339.418 3.323 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H](CC)[C@@H](O)C(F)(F)F)ccc1OC ZINC000270972454 456082271 /nfs/dbraw/zinc/08/22/71/456082271.db2.gz JRKMYAFVTHONCD-UKRRQHHQSA-N 1 0 335.366 3.023 20 10 EGCDRO Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000301296867 456084783 /nfs/dbraw/zinc/08/47/83/456084783.db2.gz YCDGPPFNKATSJW-OAHLLOKOSA-N 1 0 332.835 3.221 20 10 EGCDRO CC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(C)cc1O ZINC000297161911 456138298 /nfs/dbraw/zinc/13/82/98/456138298.db2.gz CXOLRNAAMSYZOK-VMBOVVBDSA-N 1 0 339.501 3.345 20 10 EGCDRO CCCCCC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000271205828 456171551 /nfs/dbraw/zinc/17/15/51/456171551.db2.gz YGUNLDCQYGVAKO-UHFFFAOYSA-N 1 0 331.504 3.414 20 10 EGCDRO COc1cccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1O ZINC000263692398 456194493 /nfs/dbraw/zinc/19/44/93/456194493.db2.gz PCTIBKTVRSNOBN-UHFFFAOYSA-N 1 0 340.467 3.198 20 10 EGCDRO CCN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000273369814 456225425 /nfs/dbraw/zinc/22/54/25/456225425.db2.gz FTXWEXBKEAZMAI-NSHDSACASA-N 1 0 327.266 3.290 20 10 EGCDRO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273439677 456231520 /nfs/dbraw/zinc/23/15/20/456231520.db2.gz YBXYLYNDZKOXSJ-HUUCEWRRSA-N 1 0 336.476 3.340 20 10 EGCDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl ZINC000237197346 456245576 /nfs/dbraw/zinc/24/55/76/456245576.db2.gz RYPLANLVQPGMCD-UHFFFAOYSA-N 1 0 347.846 3.044 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccccc1O ZINC000274783216 456264231 /nfs/dbraw/zinc/26/42/31/456264231.db2.gz PTKNENJJOBFECH-ROUUACIJSA-N 1 0 339.439 3.019 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000290295902 456282386 /nfs/dbraw/zinc/28/23/86/456282386.db2.gz NFVQQKUJCPMNBE-NSHGMRRFSA-N 1 0 326.440 3.288 20 10 EGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000281706766 456298482 /nfs/dbraw/zinc/29/84/82/456298482.db2.gz TUWHXTQGVCDSJF-IRXDYDNUSA-N 1 0 329.488 3.338 20 10 EGCDRO CCCC[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccccc1O ZINC000282388099 456497357 /nfs/dbraw/zinc/49/73/57/456497357.db2.gz GOPFLUJKMNIZKU-UHFFFAOYSA-N 1 0 327.490 3.208 20 10 EGCDRO OC[C@@]1([NH2+]Cc2cc(Br)ccc2O)CCc2ccccc21 ZINC000305187988 456535806 /nfs/dbraw/zinc/53/58/06/456535806.db2.gz UMQJRZLHHYDKCQ-KRWDZBQOSA-N 1 0 348.240 3.078 20 10 EGCDRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000291171794 456553981 /nfs/dbraw/zinc/55/39/81/456553981.db2.gz JZDNWONIORFCIM-LIRRHRJNSA-N 1 0 336.451 3.128 20 10 EGCDRO CCOc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1O ZINC000283066369 456703064 /nfs/dbraw/zinc/70/30/64/456703064.db2.gz PZGLELBSCGDAIA-UHFFFAOYSA-N 1 0 330.384 3.374 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Cl)ccc1O ZINC000363855632 457457244 /nfs/dbraw/zinc/45/72/44/457457244.db2.gz NKQSSIRWWCFRCJ-GFCCVEGCSA-N 1 0 328.803 3.477 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000363934733 457464436 /nfs/dbraw/zinc/46/44/36/457464436.db2.gz WFBZHGHCLLCKGB-GFCCVEGCSA-N 1 0 335.835 3.167 20 10 EGCDRO [NH2+]=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCOc2ccccc21 ZINC000364229160 457536597 /nfs/dbraw/zinc/53/65/97/457536597.db2.gz FPAMFKVYRMJCFR-IBGZPJMESA-N 1 0 348.450 3.201 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCOC1 ZINC000366298876 457805680 /nfs/dbraw/zinc/80/56/80/457805680.db2.gz KTGQJETXSJXBEF-GRDNDAEWSA-N 1 0 338.879 3.025 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(C)cc1O ZINC000366420912 457811202 /nfs/dbraw/zinc/81/12/02/457811202.db2.gz XRYIAEJUZHWMAQ-DLBZAZTESA-N 1 0 329.444 3.008 20 10 EGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414448209 458319990 /nfs/dbraw/zinc/31/99/90/458319990.db2.gz RAMODLVHEOMDRV-UHFFFAOYSA-N 1 0 348.493 3.242 20 10 EGCDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000726587683 574562752 /nfs/dbraw/zinc/56/27/52/574562752.db2.gz AFNCGECTSIISSG-OAHLLOKOSA-N 1 0 335.444 3.313 20 10 EGCDRO CCC/C(C)=C/C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730194330 574940575 /nfs/dbraw/zinc/94/05/75/574940575.db2.gz MPYHCVCFTUTYEL-DTQAZKPQSA-N 1 0 347.478 3.330 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000730806349 575022466 /nfs/dbraw/zinc/02/24/66/575022466.db2.gz HOGCUVXVFDIKNT-KRWDZBQOSA-N 1 0 332.488 3.456 20 10 EGCDRO C[N@@H+]1CCC[C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000731041570 575045997 /nfs/dbraw/zinc/04/59/97/575045997.db2.gz HFQZEWYRDVUDJN-KRWDZBQOSA-N 1 0 346.475 3.017 20 10 EGCDRO NC(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000731844193 575211981 /nfs/dbraw/zinc/21/19/81/575211981.db2.gz BZKXPGBYJZOVFL-UHFFFAOYSA-N 1 0 336.391 3.287 20 10 EGCDRO Fc1cc(CNc2cc[nH+]c3ccccc23)ccc1N1CCOCC1 ZINC000731979054 575228989 /nfs/dbraw/zinc/22/89/89/575228989.db2.gz FHDYNVSPKILYKN-UHFFFAOYSA-N 1 0 337.398 3.245 20 10 EGCDRO CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000732204143 575244055 /nfs/dbraw/zinc/24/40/55/575244055.db2.gz DPUWKLAWQNLFHF-UHFFFAOYSA-N 1 0 344.377 3.158 20 10 EGCDRO CCOc1cccc(C[NH2+]CC(=O)Nc2cccc(CC)c2)c1O ZINC000732230781 575247124 /nfs/dbraw/zinc/24/71/24/575247124.db2.gz SJPZLOCLYUBKKG-UHFFFAOYSA-N 1 0 328.412 3.082 20 10 EGCDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732231392 575247563 /nfs/dbraw/zinc/24/75/63/575247563.db2.gz SQUNTLWQGJBBED-IBGZPJMESA-N 1 0 349.475 3.472 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cccc(OC)c2OC(C)C)c1O ZINC000733900998 575407588 /nfs/dbraw/zinc/40/75/88/575407588.db2.gz WMKOTGDARSILMW-UHFFFAOYSA-N 1 0 331.412 3.486 20 10 EGCDRO CN(CCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000734058670 575432322 /nfs/dbraw/zinc/43/23/22/575432322.db2.gz XGVULQWGJOXEHP-UHFFFAOYSA-N 1 0 343.427 3.214 20 10 EGCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000735810649 575718530 /nfs/dbraw/zinc/71/85/30/575718530.db2.gz NHYSAQYXRSLMEM-QGZVFWFLSA-N 1 0 340.471 3.093 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000741723394 576713704 /nfs/dbraw/zinc/71/37/04/576713704.db2.gz DIUAZDKRIOCQSH-WMZOPIPTSA-N 1 0 325.456 3.307 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741725030 576714091 /nfs/dbraw/zinc/71/40/91/576714091.db2.gz QRSGUMWMPODZIN-CXAGYDPISA-N 1 0 343.446 3.446 20 10 EGCDRO Cc1ccc(O)c(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826291325 608519714 /nfs/dbraw/zinc/51/97/14/608519714.db2.gz AAHSTFKCAJTXSF-UHFFFAOYSA-N 1 0 335.411 3.045 20 10 EGCDRO CC1CCC(O)(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691487660 1298133294 /nfs/dbraw/zinc/13/32/94/1298133294.db2.gz HKKNHNRTMAYYJU-UHFFFAOYSA-N 1 0 328.250 3.186 20 10 EGCDRO CN(C)[C@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccco1 ZINC000691449164 1298134473 /nfs/dbraw/zinc/13/44/73/1298134473.db2.gz ICQFOIOLGPKHQI-CYBMUJFWSA-N 1 0 339.233 3.140 20 10 EGCDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(Br)cc1O ZINC000701096467 1298184403 /nfs/dbraw/zinc/18/44/03/1298184403.db2.gz XQVYOKGYTDARSV-LBPRGKRZSA-N 1 0 327.266 3.119 20 10 EGCDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(F)(F)F ZINC000792973403 1309273600 /nfs/dbraw/zinc/27/36/00/1309273600.db2.gz FPYWERAMANVKCN-GFCCVEGCSA-N 1 0 344.299 3.438 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(C)cc1O ZINC000794805317 1309598545 /nfs/dbraw/zinc/59/85/45/1309598545.db2.gz WWNICRSGMBCEPO-YJBOKZPZSA-N 1 0 333.403 3.320 20 10 EGCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000895940316 1309601741 /nfs/dbraw/zinc/60/17/41/1309601741.db2.gz LKLAKSIENZSHMA-SFHVURJKSA-N 1 0 329.488 3.166 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1C ZINC000047795006 1291585010 /nfs/dbraw/zinc/58/50/10/1291585010.db2.gz DYHKYQVWJCLYAT-IBGZPJMESA-N 1 0 338.451 3.457 20 10 EGCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054543948 1291756488 /nfs/dbraw/zinc/75/64/88/1291756488.db2.gz FLCDIZQONOEXSV-ZDUSSCGKSA-N 1 0 332.488 3.294 20 10 EGCDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000060162095 1291919413 /nfs/dbraw/zinc/91/94/13/1291919413.db2.gz DKHQMCLRMCPBRP-UHFFFAOYSA-N 1 0 331.504 3.412 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@]2(C)C(=O)OCC)ccc1OC ZINC000827750364 1292365320 /nfs/dbraw/zinc/36/53/20/1292365320.db2.gz FNEPCHKACIEQJS-UYAOXDASSA-N 1 0 349.471 3.443 20 10 EGCDRO CCN1CCC([N@H+](C)Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000827973864 1292414664 /nfs/dbraw/zinc/41/46/64/1292414664.db2.gz MWDFPVQGVOQHSK-UHFFFAOYSA-N 1 0 345.531 3.218 20 10 EGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000076074189 1292418968 /nfs/dbraw/zinc/41/89/68/1292418968.db2.gz JLWJWFUEUFJVKA-IBGZPJMESA-N 1 0 326.440 3.434 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000828461017 1292465673 /nfs/dbraw/zinc/46/56/73/1292465673.db2.gz HVZSNECLIZDXLI-OALUTQOASA-N 1 0 344.499 3.160 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090181692 1292790243 /nfs/dbraw/zinc/79/02/43/1292790243.db2.gz ZPMYBDOPRMTARL-HOCLYGCPSA-N 1 0 345.462 3.230 20 10 EGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000090404324 1292792650 /nfs/dbraw/zinc/79/26/50/1292792650.db2.gz PUFGRYSPKAJQFA-LBPRGKRZSA-N 1 0 349.475 3.403 20 10 EGCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000831116877 1292813340 /nfs/dbraw/zinc/81/33/40/1292813340.db2.gz JSCMDXRMRKLXHQ-HOTGVXAUSA-N 1 0 346.519 3.381 20 10 EGCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000831116881 1292813675 /nfs/dbraw/zinc/81/36/75/1292813675.db2.gz JSCMDXRMRKLXHQ-JKSUJKDBSA-N 1 0 346.519 3.381 20 10 EGCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000831210578 1292828847 /nfs/dbraw/zinc/82/88/47/1292828847.db2.gz AVBFNWMAHYVXPR-GJZGRUSLSA-N 1 0 333.476 3.362 20 10 EGCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092733811 1292887248 /nfs/dbraw/zinc/88/72/48/1292887248.db2.gz CTBWPRVKUYRAHM-IBGZPJMESA-N 1 0 343.515 3.415 20 10 EGCDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000093534410 1292923803 /nfs/dbraw/zinc/92/38/03/1292923803.db2.gz MYRXTQXZUDTUCB-CYBMUJFWSA-N 1 0 348.790 3.035 20 10 EGCDRO CC[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832273825 1292979593 /nfs/dbraw/zinc/97/95/93/1292979593.db2.gz QQPOLQRUAXXPGI-JXFKEZNVSA-N 1 0 339.483 3.453 20 10 EGCDRO C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000832279313 1292980705 /nfs/dbraw/zinc/98/07/05/1292980705.db2.gz IXIRLRIYPNLEBA-HNAYVOBHSA-N 1 0 331.504 3.475 20 10 EGCDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000832278474 1292980962 /nfs/dbraw/zinc/98/09/62/1292980962.db2.gz CUDKKLWCTOWKNT-QGZVFWFLSA-N 1 0 331.847 3.144 20 10 EGCDRO CC[NH+]1CCC(N(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000105318177 1293031997 /nfs/dbraw/zinc/03/19/97/1293031997.db2.gz SFNLWWLVHNZZNP-UHFFFAOYSA-N 1 0 340.471 3.045 20 10 EGCDRO CCCCc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000834482622 1293103666 /nfs/dbraw/zinc/10/36/66/1293103666.db2.gz LDNUZSWBELZEBB-UHFFFAOYSA-N 1 0 339.487 3.183 20 10 EGCDRO O=C1CCCN1C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834514234 1293109151 /nfs/dbraw/zinc/10/91/51/1293109151.db2.gz RTJBARUCZLHMDA-QZTJIDSGSA-N 1 0 336.435 3.333 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(N2CCOCC2)c1 ZINC000834619433 1293123936 /nfs/dbraw/zinc/12/39/36/1293123936.db2.gz HCDPLMVRLDHMMH-GOSISDBHSA-N 1 0 338.451 3.314 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1C ZINC000112694905 1293132218 /nfs/dbraw/zinc/13/22/18/1293132218.db2.gz TXXVVNAJOOYVEQ-MRXNPFEDSA-N 1 0 332.488 3.383 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834768247 1293143690 /nfs/dbraw/zinc/14/36/90/1293143690.db2.gz ACZOMSMOZNDNJK-BPUTZDHNSA-N 1 0 332.444 3.226 20 10 EGCDRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000113316779 1293146743 /nfs/dbraw/zinc/14/67/43/1293146743.db2.gz OZWMWBZRXQUASU-STQMWFEESA-N 1 0 326.868 3.023 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(N2CCCCC2)cc1 ZINC000834842655 1293156619 /nfs/dbraw/zinc/15/66/19/1293156619.db2.gz BETJFACJIRHJCR-NQIIRXRSSA-N 1 0 345.531 3.174 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc2ccccc2c1O ZINC000834851225 1293157867 /nfs/dbraw/zinc/15/78/67/1293157867.db2.gz WANUTPKDJVZUCV-DOTOQJQBSA-N 1 0 328.456 3.043 20 10 EGCDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(N2CCOCC2)cc1Cl ZINC000834870611 1293159549 /nfs/dbraw/zinc/15/95/49/1293159549.db2.gz ITDNMCBFLPEVGH-CQSZACIVSA-N 1 0 340.895 3.236 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(C)cc1O ZINC000834897125 1293168518 /nfs/dbraw/zinc/16/85/18/1293168518.db2.gz PXMZIOHWVRCLPM-QOKNQOGYSA-N 1 0 329.444 3.395 20 10 EGCDRO CNC(=O)C[C@@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000834898645 1293169045 /nfs/dbraw/zinc/16/90/45/1293169045.db2.gz APUBVGYCFAIKAL-CRAIPNDOSA-N 1 0 326.440 3.180 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC000834913499 1293175190 /nfs/dbraw/zinc/17/51/90/1293175190.db2.gz PXWYOXRKLQTTQI-IEZWGBDMSA-N 1 0 342.487 3.447 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000835057749 1293195204 /nfs/dbraw/zinc/19/52/04/1293195204.db2.gz GBAGTWZUDFUCPH-UHFFFAOYSA-N 1 0 339.435 3.465 20 10 EGCDRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000120425294 1293321015 /nfs/dbraw/zinc/32/10/15/1293321015.db2.gz CSDYDXINWHLOCK-UHFFFAOYSA-N 1 0 345.874 3.477 20 10 EGCDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122539041 1293416520 /nfs/dbraw/zinc/41/65/20/1293416520.db2.gz WIAPUWNVNYKLKJ-GDBMZVCRSA-N 1 0 340.895 3.234 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1F ZINC000123853012 1293457491 /nfs/dbraw/zinc/45/74/91/1293457491.db2.gz MMSAGPHKKNVWFS-INIZCTEOSA-N 1 0 349.494 3.266 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1(C)C ZINC000153679111 1294024165 /nfs/dbraw/zinc/02/41/65/1294024165.db2.gz RITPSBQYNVYLSQ-KFKAGJAMSA-N 1 0 332.488 3.377 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000153883493 1294032640 /nfs/dbraw/zinc/03/26/40/1294032640.db2.gz ZBIJXQSSWWVKGW-RDTXWAMCSA-N 1 0 334.460 3.089 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cnc(C)nc3C)CC2)cc1 ZINC000157392227 1294176727 /nfs/dbraw/zinc/17/67/27/1294176727.db2.gz FJRCSRKVPSPAFL-OAHLLOKOSA-N 1 0 340.471 3.422 20 10 EGCDRO CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000165108277 1294355086 /nfs/dbraw/zinc/35/50/86/1294355086.db2.gz WVHRNZZELQQSHR-GOSISDBHSA-N 1 0 331.504 3.442 20 10 EGCDRO Cc1cc(C(=O)NCCc2ncc[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC000172993465 1294453215 /nfs/dbraw/zinc/45/32/15/1294453215.db2.gz FHLDJQWQYNCRBL-UHFFFAOYSA-N 1 0 342.830 3.443 20 10 EGCDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710751 1294751101 /nfs/dbraw/zinc/75/11/01/1294751101.db2.gz AUJMYXZVMQMIAJ-RTBURBONSA-N 1 0 329.488 3.201 20 10 EGCDRO COCCOCC[N@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000180623649 1294902782 /nfs/dbraw/zinc/90/27/82/1294902782.db2.gz CCDCEICKWGVCLQ-UHFFFAOYSA-N 1 0 329.440 3.366 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2cc(C)ccc2C)c1 ZINC000182362443 1295039636 /nfs/dbraw/zinc/03/96/36/1295039636.db2.gz JLMWBEAQYUCKHF-CVEARBPZSA-N 1 0 345.439 3.108 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)c1 ZINC000182382617 1295042076 /nfs/dbraw/zinc/04/20/76/1295042076.db2.gz BFYUZFKDASYVRS-LLVKDONJSA-N 1 0 333.359 3.257 20 10 EGCDRO COc1cc(OC)cc(OCCC[NH2+]Cc2cccc(C)c2O)c1 ZINC000182633202 1295064292 /nfs/dbraw/zinc/06/42/92/1295064292.db2.gz NMQGAPSZSXCPEH-UHFFFAOYSA-N 1 0 331.412 3.277 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000182939241 1295085147 /nfs/dbraw/zinc/08/51/47/1295085147.db2.gz NMAQYXAWDOUQCK-MRXNPFEDSA-N 1 0 331.504 3.269 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cc(F)ccc1O ZINC000184865395 1295224972 /nfs/dbraw/zinc/22/49/72/1295224972.db2.gz JNHALEBPXBVYEN-MRVPVSSYSA-N 1 0 342.292 3.238 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)c1 ZINC000186015566 1295299033 /nfs/dbraw/zinc/29/90/33/1295299033.db2.gz SWNTXFDEYSZWIF-CQSZACIVSA-N 1 0 330.403 3.310 20 10 EGCDRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000186027952 1295299764 /nfs/dbraw/zinc/29/97/64/1295299764.db2.gz IPABVTAAYQLBFW-ZDUSSCGKSA-N 1 0 339.501 3.135 20 10 EGCDRO COc1ccc(O)c([C@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000186401336 1295323856 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C[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccc(N2CCOCC2)cc1 ZINC000775258634 1303932131 /nfs/dbraw/zinc/93/21/31/1303932131.db2.gz HLNSFEMWQZUKBP-TZMCWYRMSA-N 1 0 329.271 3.368 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000775258320 1303932280 /nfs/dbraw/zinc/93/22/80/1303932280.db2.gz XFOAUDWNZHADLK-CQSZACIVSA-N 1 0 331.847 3.422 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)c1 ZINC000775369307 1303948241 /nfs/dbraw/zinc/94/82/41/1303948241.db2.gz NHPFPAPIIXHBIQ-LLVKDONJSA-N 1 0 334.803 3.344 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000775372155 1303948953 /nfs/dbraw/zinc/94/89/53/1303948953.db2.gz ZCOJWOGOGXBXIL-LLVKDONJSA-N 1 0 344.440 3.109 20 10 EGCDRO CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000775403969 1303958607 /nfs/dbraw/zinc/95/86/07/1303958607.db2.gz LKFZWKVUHLTMHP-QFBILLFUSA-N 1 0 331.504 3.440 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Cl)ccc1O ZINC000775489142 1303972185 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EGCDRO CCOc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c(O)c1 ZINC000776692968 1304184560 /nfs/dbraw/zinc/18/45/60/1304184560.db2.gz RTQGVRAWIUPJSW-LJQANCHMSA-N 1 0 327.424 3.234 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)cc1C ZINC000776939841 1304221507 /nfs/dbraw/zinc/22/15/07/1304221507.db2.gz TWRIVYWXPPCBEW-MRXNPFEDSA-N 1 0 346.858 3.091 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c(O)c1 ZINC000776958289 1304223700 /nfs/dbraw/zinc/22/37/00/1304223700.db2.gz CHDSHGGJHGWELK-KRWDZBQOSA-N 1 0 335.444 3.346 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3nnc(C(C)(C)C)s3)cc2)CC1 ZINC000777512742 1304306555 /nfs/dbraw/zinc/30/65/55/1304306555.db2.gz XJUCHOKDVLPFQM-UHFFFAOYSA-N 1 0 345.516 3.200 20 10 EGCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(F)nc3)cc2F)C[C@H](C)O1 ZINC000778158978 1304405922 /nfs/dbraw/zinc/40/59/22/1304405922.db2.gz SQKHALNZLGVLIT-KBPBESRZSA-N 1 0 347.409 3.263 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000779063231 1304524761 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COc1ccc(C[NH2+]CCOc2cccc(Cl)c2)c(O)c1OC ZINC000892642372 1305486179 /nfs/dbraw/zinc/48/61/79/1305486179.db2.gz RPUYCEIQRVGGGI-UHFFFAOYSA-N 1 0 337.803 3.231 20 10 EGCDRO CCCCOc1ncccc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892723753 1305523836 /nfs/dbraw/zinc/52/38/36/1305523836.db2.gz LBIGRCIWZVYUQA-UHFFFAOYSA-N 1 0 346.427 3.273 20 10 EGCDRO COc1ccc(CNC2(c3noc(C)n3)CCCCC2)c(O)c1OC ZINC000892845772 1305576401 /nfs/dbraw/zinc/57/64/01/1305576401.db2.gz GPVQFJZKPBJTJM-UHFFFAOYSA-N 1 0 347.415 3.050 20 10 EGCDRO CCCCN1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892944525 1305618649 /nfs/dbraw/zinc/61/86/49/1305618649.db2.gz QWUXTEDWLVBMQN-MRXNPFEDSA-N 1 0 336.476 3.154 20 10 EGCDRO COc1ccc(C[NH2+]CCCSc2nccs2)c(O)c1OC ZINC000893044145 1305678177 /nfs/dbraw/zinc/67/81/77/1305678177.db2.gz DRANVBXCYWJXIH-UHFFFAOYSA-N 1 0 340.470 3.138 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c(O)c1OC ZINC000893128398 1305722647 /nfs/dbraw/zinc/72/26/47/1305722647.db2.gz MYARJNHTZKFZBQ-PBHICJAKSA-N 1 0 345.439 3.054 20 10 EGCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000788243865 1305905917 /nfs/dbraw/zinc/90/59/17/1305905917.db2.gz GIDMNLJPLRHCNW-UHFFFAOYSA-N 1 0 330.472 3.105 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cncn2C)c1O ZINC000788258333 1305910316 /nfs/dbraw/zinc/91/03/16/1305910316.db2.gz VIQXRYSZTUWXGU-NSHDSACASA-N 1 0 338.249 3.090 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccn(CC)c2=O)cc1F ZINC000788524875 1305962151 /nfs/dbraw/zinc/96/21/51/1305962151.db2.gz XHHKZJWDCORBKI-UHFFFAOYSA-N 1 0 331.435 3.143 20 10 EGCDRO C/C(=C\C(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608198 1305986870 /nfs/dbraw/zinc/98/68/70/1305986870.db2.gz SCBXJQAZBKPZKS-JQIJEIRASA-N 1 0 329.488 3.047 20 10 EGCDRO COc1ccc2nc(C[NH2+]Cc3cc(OC)ccc3O)sc2c1 ZINC000788966111 1306052484 /nfs/dbraw/zinc/05/24/84/1306052484.db2.gz VBCBJADKOZYMLM-UHFFFAOYSA-N 1 0 330.409 3.309 20 10 EGCDRO COc1cc(C)cc(C[NH2+]CCc2nc3c(s2)CCCC3)c1O ZINC000894256722 1306303709 /nfs/dbraw/zinc/30/37/09/1306303709.db2.gz FJYNBPAXMQTWOK-UHFFFAOYSA-N 1 0 332.469 3.377 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCSC2)ccc1N1CCCCC1 ZINC000790485071 1306335595 /nfs/dbraw/zinc/33/55/95/1306335595.db2.gz IMFBWAKYDHDDNN-HNNXBMFYSA-N 1 0 335.473 3.428 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)c1O ZINC000894385070 1306369988 /nfs/dbraw/zinc/36/99/88/1306369988.db2.gz KWSKWTPSRRNYHH-UHFFFAOYSA-N 1 0 341.455 3.384 20 10 EGCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000790934268 1308888498 /nfs/dbraw/zinc/88/84/98/1308888498.db2.gz JFMBUTWNENMUGI-BXUZGUMPSA-N 1 0 328.250 3.280 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1O ZINC000790936429 1308891436 /nfs/dbraw/zinc/89/14/36/1308891436.db2.gz CDOUGHMVGFUAFN-IBGZPJMESA-N 1 0 327.424 3.174 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1O ZINC000894469474 1308906216 /nfs/dbraw/zinc/90/62/16/1308906216.db2.gz HJGKNQWULCIKNV-GOSISDBHSA-N 1 0 335.831 3.360 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000791003309 1308907496 /nfs/dbraw/zinc/90/74/96/1308907496.db2.gz MOZHJVWXAVGHKH-QRWLVFNGSA-N 1 0 329.440 3.120 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1O ZINC000894550823 1308949974 /nfs/dbraw/zinc/94/99/74/1308949974.db2.gz NMFFOTTVYRJPII-KKSFZXQISA-N 1 0 343.467 3.429 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1O ZINC000894589627 1308967708 /nfs/dbraw/zinc/96/77/08/1308967708.db2.gz WGNGQVZNQKAGLZ-HNNXBMFYSA-N 1 0 339.794 3.325 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c(O)c1OC ZINC000894591410 1308968647 /nfs/dbraw/zinc/96/86/47/1308968647.db2.gz DQQDBWDALDAXBR-PIGZYNQJSA-N 1 0 349.452 3.263 20 10 EGCDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000894792517 1309073913 /nfs/dbraw/zinc/07/39/13/1309073913.db2.gz BQYLUBIFEFVTAN-GFCCVEGCSA-N 1 0 349.402 3.278 20 10 EGCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@@H](C)C1 ZINC000792192041 1309140305 /nfs/dbraw/zinc/14/03/05/1309140305.db2.gz AIBGCDNAMRECHQ-XLIONFOSSA-N 1 0 332.488 3.160 20 10 EGCDRO CN(C)c1ccc(C[N@H+](CC(N)=O)C2CCCC2)c(C(F)(F)F)c1 ZINC000792780849 1309230024 /nfs/dbraw/zinc/23/00/24/1309230024.db2.gz TXYQCMQZYZRWJE-UHFFFAOYSA-N 1 0 343.393 3.001 20 10 EGCDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793048503 1309286874 /nfs/dbraw/zinc/28/68/74/1309286874.db2.gz LMAROACCBGARRI-CYBMUJFWSA-N 1 0 329.410 3.203 20 10 EGCDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075420 1309291630 /nfs/dbraw/zinc/29/16/30/1309291630.db2.gz CTICHNJOHBRYGB-NWDGAFQWSA-N 1 0 346.393 3.449 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1OC ZINC000793080908 1309293145 /nfs/dbraw/zinc/29/31/45/1309293145.db2.gz XCGZYXJXQSHEIT-XHSDSOJGSA-N 1 0 346.393 3.053 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1OC ZINC000793080904 1309293334 /nfs/dbraw/zinc/29/33/34/1309293334.db2.gz XCGZYXJXQSHEIT-BZUAXINKSA-N 1 0 346.393 3.053 20 10 EGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1C ZINC000793167594 1309309016 /nfs/dbraw/zinc/30/90/16/1309309016.db2.gz GFGZDXUWGRPKOM-SMDDNHRTSA-N 1 0 344.377 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000793389123 1309361570 /nfs/dbraw/zinc/36/15/70/1309361570.db2.gz WYPCBDXLLVRQFE-CYBMUJFWSA-N 1 0 330.384 3.420 20 10 EGCDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1 ZINC000895657864 1309450369 /nfs/dbraw/zinc/45/03/69/1309450369.db2.gz GANZSJZKRLCLOE-FQEVSTJZSA-N 1 0 340.467 3.125 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)OC(C)C)CC2)c1O ZINC000895827349 1309541553 /nfs/dbraw/zinc/54/15/53/1309541553.db2.gz AFAQPWWDKWLEHG-UHFFFAOYSA-N 1 0 341.835 3.218 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(C)cc1O ZINC000794809257 1309599530 /nfs/dbraw/zinc/59/95/30/1309599530.db2.gz FFGTYQDYYOSBIZ-OTWHNJEPSA-N 1 0 332.488 3.385 20 10 EGCDRO Cn1nccc1CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796357422 1309977679 /nfs/dbraw/zinc/97/76/79/1309977679.db2.gz RJYBESZFVSLPMH-UHFFFAOYSA-N 1 0 346.478 3.315 20 10 EGCDRO O[C@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796359470 1309977761 /nfs/dbraw/zinc/97/77/61/1309977761.db2.gz FBBUCUJDBRWPGR-FPOVZHCZSA-N 1 0 336.479 3.500 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CSC[C@@H]2C)c1O ZINC000796482513 1310011700 /nfs/dbraw/zinc/01/17/00/1310011700.db2.gz NEOFDMQUELBVMY-GZMMTYOYSA-N 1 0 332.263 3.004 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896984855 1310120106 /nfs/dbraw/zinc/12/01/06/1310120106.db2.gz OGWMNJJGERGMNB-HNNXBMFYSA-N 1 0 334.460 3.437 20 10 EGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2ccccc2O)s1 ZINC000797140985 1310146529 /nfs/dbraw/zinc/14/65/29/1310146529.db2.gz PGJIEAMZVJXPBP-GRYCIOLGSA-N 1 0 348.472 3.120 20 10 EGCDRO CC(=O)c1ccnc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000897521180 1310360175 /nfs/dbraw/zinc/36/01/75/1310360175.db2.gz DWIRVDBYWZUOGR-SFHVURJKSA-N 1 0 326.444 3.065 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1O ZINC000799154558 1310493600 /nfs/dbraw/zinc/49/36/00/1310493600.db2.gz FAUQBVZGQARAKV-BVPBIZIASA-N 1 0 333.472 3.471 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2scnc2C2CC2)N(C)C)cc1 ZINC000898449397 1310740751 /nfs/dbraw/zinc/74/07/51/1310740751.db2.gz DNIUQPCWMUKSGN-KRWDZBQOSA-N 1 0 344.528 3.479 20 10 EGCDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000898449718 1310742245 /nfs/dbraw/zinc/74/22/45/1310742245.db2.gz JMAOGFLGMLVERO-RLLQIKCJSA-N 1 0 333.520 3.149 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccnc2Cl)N(C)C)cc1 ZINC000898452354 1310743133 /nfs/dbraw/zinc/74/31/33/1310743133.db2.gz XFJKLXAQMHNNIW-KRWDZBQOSA-N 1 0 332.879 3.194 20 10 EGCDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000800473732 1310764570 /nfs/dbraw/zinc/76/45/70/1310764570.db2.gz BIJJIFVKOBWBAJ-XKGZKEIXSA-N 1 0 332.488 3.379 20 10 EGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2Cl)C1 ZINC000800572146 1310784681 /nfs/dbraw/zinc/78/46/81/1310784681.db2.gz SGMCTPORCJNXFE-GDBMZVCRSA-N 1 0 349.906 3.144 20 10 EGCDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000800901049 1310832312 /nfs/dbraw/zinc/83/23/12/1310832312.db2.gz BBVHMNZGNYIZQZ-MRXNPFEDSA-N 1 0 345.830 3.442 20 10 EGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000801597860 1310971565 /nfs/dbraw/zinc/97/15/65/1310971565.db2.gz PZMZBORMWDESJY-MRXNPFEDSA-N 1 0 333.428 3.230 20 10 EGCDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000824596059 1320268145 /nfs/dbraw/zinc/26/81/45/1320268145.db2.gz FRYKARYCFSXPCH-YGRLFVJLSA-N 1 0 346.265 3.314 20 10 EGCDRO Fc1cc(C[NH+]2CC(Cc3ccccc3)C2)ccc1N1CCOCC1 ZINC000839128735 1320875704 /nfs/dbraw/zinc/87/57/04/1320875704.db2.gz UECOSYPKTWAYJP-UHFFFAOYSA-N 1 0 340.442 3.337 20 10 EGCDRO CN(C)c1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC000929406961 1328590099 /nfs/dbraw/zinc/59/00/99/1328590099.db2.gz ZHOUHEZEDUUEBN-UHFFFAOYSA-N 1 0 341.455 3.262 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1O ZINC000858010839 1328655782 /nfs/dbraw/zinc/65/57/82/1328655782.db2.gz HGJWUXGUYBQZIH-INIZCTEOSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1ccc(N2CC[NH+](CCSC(C)(C)C)CC2)cc1F ZINC000801926905 1316966965 /nfs/dbraw/zinc/96/69/65/1316966965.db2.gz YJOBSFCHXWVESJ-UHFFFAOYSA-N 1 0 326.481 3.488 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000802184708 1316985335 /nfs/dbraw/zinc/98/53/35/1316985335.db2.gz MOWKQIFIDBGFOJ-GOSISDBHSA-N 1 0 345.487 3.188 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(C)CCCC3)C2)cc1C ZINC001019207300 1317104436 /nfs/dbraw/zinc/10/44/36/1317104436.db2.gz ISEUUJJQZDARLE-KRWDZBQOSA-N 1 0 330.472 3.274 20 10 EGCDRO CCC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CCC1 ZINC001019259643 1317132308 /nfs/dbraw/zinc/13/23/08/1317132308.db2.gz VMEGILNZGRCENL-KRWDZBQOSA-N 1 0 330.472 3.274 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C[C@H](O)C1CCCCC1 ZINC000858121679 1328688624 /nfs/dbraw/zinc/68/86/24/1328688624.db2.gz DVANFQITWBPMNX-HNNXBMFYSA-N 1 0 328.250 3.186 20 10 EGCDRO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000805311165 1317340861 /nfs/dbraw/zinc/34/08/61/1317340861.db2.gz YPVDFTDKEQFWHS-JTDSTZFVSA-N 1 0 344.503 3.082 20 10 EGCDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000807441345 1317566578 /nfs/dbraw/zinc/56/65/78/1317566578.db2.gz GFNQFFRXRLGBJN-GOEBONIOSA-N 1 0 345.443 3.256 20 10 EGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 ZINC000808427130 1317675088 /nfs/dbraw/zinc/67/50/88/1317675088.db2.gz WVLMEVYMNZTHNH-INIZCTEOSA-N 1 0 337.341 3.464 20 10 EGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 ZINC000808427131 1317675799 /nfs/dbraw/zinc/67/57/99/1317675799.db2.gz WVLMEVYMNZTHNH-MRXNPFEDSA-N 1 0 337.341 3.464 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1F ZINC000808452789 1317680029 /nfs/dbraw/zinc/68/00/29/1317680029.db2.gz QPJRSYIJRPHRCT-PXNSSMCTSA-N 1 0 344.430 3.256 20 10 EGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCC[C@H]2CCCO)N(C)C)cc1 ZINC000903448741 1317702218 /nfs/dbraw/zinc/70/22/18/1317702218.db2.gz RRMNYMKCWQTNPG-YYWHXJBOSA-N 1 0 347.547 3.276 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccc(CO)c1 ZINC000903448825 1317702317 /nfs/dbraw/zinc/70/23/17/1317702317.db2.gz UBFJKFBRGGXKFR-KKSFZXQISA-N 1 0 341.499 3.198 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1O ZINC000808673464 1317711827 /nfs/dbraw/zinc/71/18/27/1317711827.db2.gz PPNWTHIXAPGPDX-WMLDXEAASA-N 1 0 340.895 3.361 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c1O ZINC000808700485 1317717089 /nfs/dbraw/zinc/71/70/89/1317717089.db2.gz LSVSPVUKLXAVFQ-LRDDRELGSA-N 1 0 328.909 3.442 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc3[C@H]2O)c2c1c(F)ccc2O ZINC000808729449 1317724923 /nfs/dbraw/zinc/72/49/23/1317724923.db2.gz JZYFLROOLOEFTN-IJNCGLNKSA-N 1 0 329.371 3.164 20 10 EGCDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809541095 1317826356 /nfs/dbraw/zinc/82/63/56/1317826356.db2.gz FAKACGZQOLBZMA-NRFANRHFSA-N 1 0 349.478 3.089 20 10 EGCDRO Fc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)ccc1N1CCOCC1 ZINC000809728917 1317879913 /nfs/dbraw/zinc/87/99/13/1317879913.db2.gz LFVDEOKAHWCCRA-IBGZPJMESA-N 1 0 341.430 3.394 20 10 EGCDRO COc1cccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1O ZINC000809768015 1317896481 /nfs/dbraw/zinc/89/64/81/1317896481.db2.gz ABUMYXCPTKTHQV-GOEBONIOSA-N 1 0 345.464 3.402 20 10 EGCDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809779695 1317899302 /nfs/dbraw/zinc/89/93/02/1317899302.db2.gz WKMJCYNSKMVHLT-IBGZPJMESA-N 1 0 345.487 3.387 20 10 EGCDRO CC[C@@H]([NH2+]CCC(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810210102 1317976543 /nfs/dbraw/zinc/97/65/43/1317976543.db2.gz NDSLHNHDUMGTFF-CYBMUJFWSA-N 1 0 332.366 3.366 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccc(C(F)(F)F)cc1O ZINC000810216004 1317977913 /nfs/dbraw/zinc/97/79/13/1317977913.db2.gz BLEQCHCPMQNJAL-UKRRQHHQSA-N 1 0 346.393 3.172 20 10 EGCDRO CC[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810228443 1317980953 /nfs/dbraw/zinc/98/09/53/1317980953.db2.gz VHYHBIDBTPPWGO-AWEZNQCLSA-N 1 0 347.377 3.241 20 10 EGCDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@H](C2OCCO2)C1)CCCC3 ZINC000905695158 1317981367 /nfs/dbraw/zinc/98/13/67/1317981367.db2.gz XWWMGGAWMGBENT-ZDUSSCGKSA-N 1 0 343.423 3.212 20 10 EGCDRO CC[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810236811 1317982320 /nfs/dbraw/zinc/98/23/20/1317982320.db2.gz NUBKUZPWLUKGEA-CQSZACIVSA-N 1 0 327.350 3.428 20 10 EGCDRO CC[C@H]([NH2+]CCc1ccn(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810236810 1317982499 /nfs/dbraw/zinc/98/24/99/1317982499.db2.gz NUBKUZPWLUKGEA-AWEZNQCLSA-N 1 0 327.350 3.428 20 10 EGCDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)/C=C\c1cn(C)cn1 ZINC000905933290 1318019626 /nfs/dbraw/zinc/01/96/26/1318019626.db2.gz KBDDKCKGEWWEIZ-MQNTZWLQSA-N 1 0 340.471 3.033 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1[C@@H]1CCCO1 ZINC000811510813 1318188391 /nfs/dbraw/zinc/18/83/91/1318188391.db2.gz PNAXQZMNJVGHOW-RBUKOAKNSA-N 1 0 348.462 3.052 20 10 EGCDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)OC)c1 ZINC000858442821 1328763243 /nfs/dbraw/zinc/76/32/43/1328763243.db2.gz NNQQYCOHDMDQET-UGSOOPFHSA-N 1 0 331.412 3.448 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)OC)c1 ZINC000858442820 1328763553 /nfs/dbraw/zinc/76/35/53/1328763553.db2.gz NNQQYCOHDMDQET-SCLBCKFNSA-N 1 0 331.412 3.448 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c1 ZINC000858496390 1328779762 /nfs/dbraw/zinc/77/97/62/1328779762.db2.gz SAHIYVVEYUDQFD-ZDUSSCGKSA-N 1 0 328.412 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3sccc3C)C2)cc1C ZINC001021783604 1318681333 /nfs/dbraw/zinc/68/13/33/1318681333.db2.gz QCEQBLDQFSYBFT-IYBDPMFKSA-N 1 0 344.480 3.424 20 10 EGCDRO Cc1nnsc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000814175710 1318688858 /nfs/dbraw/zinc/68/88/58/1318688858.db2.gz YZOHHLXHWWCHHJ-UHFFFAOYSA-N 1 0 341.436 3.421 20 10 EGCDRO CCc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)cc1 ZINC000814224665 1318703174 /nfs/dbraw/zinc/70/31/74/1318703174.db2.gz LGEQPEXGVGRRFN-UZLBHIALSA-N 1 0 339.435 3.370 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@H](F)C3)C2)cc1C ZINC001022067470 1318786387 /nfs/dbraw/zinc/78/63/87/1318786387.db2.gz GAOMMVSTQTXJSO-XDNAFOTISA-N 1 0 348.462 3.269 20 10 EGCDRO Cc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)ccc1N(C)C ZINC000815013679 1318866083 /nfs/dbraw/zinc/86/60/83/1318866083.db2.gz PWWRUPHVNPHVKE-UHFFFAOYSA-N 1 0 325.456 3.089 20 10 EGCDRO Cc1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)ccc1N(C)C ZINC000815060680 1318878682 /nfs/dbraw/zinc/87/86/82/1318878682.db2.gz YJYYUQZLFGMXRZ-LJQANCHMSA-N 1 0 332.488 3.221 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000815118697 1318897406 /nfs/dbraw/zinc/89/74/06/1318897406.db2.gz ZMFNJSVIEBTAFS-GDBMZVCRSA-N 1 0 330.394 3.135 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000815153762 1318916190 /nfs/dbraw/zinc/91/61/90/1318916190.db2.gz XRRBNEMPCPPNHB-SFHVURJKSA-N 1 0 333.432 3.100 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c(O)c1 ZINC000815573450 1319018120 /nfs/dbraw/zinc/01/81/20/1319018120.db2.gz KZMUVVJILVVZFF-HNNXBMFYSA-N 1 0 342.439 3.185 20 10 EGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581574 1319020447 /nfs/dbraw/zinc/02/04/47/1319020447.db2.gz JRGAXXRZALZNNV-SNVBAGLBSA-N 1 0 338.458 3.467 20 10 EGCDRO CCn1ncnc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815621679 1319030485 /nfs/dbraw/zinc/03/04/85/1319030485.db2.gz AIPIIJTYRVZGLN-SFHVURJKSA-N 1 0 336.439 3.467 20 10 EGCDRO CC[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccccc1O ZINC000858595584 1328805656 /nfs/dbraw/zinc/80/56/56/1328805656.db2.gz RLJWNLFDYQIVSR-IEBWSBKVSA-N 1 0 329.440 3.401 20 10 EGCDRO O=C(CC[NH2+]Cc1ccc2ccccc2c1O)NC1CCCCC1 ZINC000816536623 1319176819 /nfs/dbraw/zinc/17/68/19/1319176819.db2.gz FAQRBSZLPZMBJQ-UHFFFAOYSA-N 1 0 326.440 3.474 20 10 EGCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc3ccccc3c1O)C[C@@H](C)O2 ZINC000816594722 1319189522 /nfs/dbraw/zinc/18/95/22/1319189522.db2.gz NGJNCWGALHNDEH-STXHMFSFSA-N 1 0 327.424 3.314 20 10 EGCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816609863 1319194068 /nfs/dbraw/zinc/19/40/68/1319194068.db2.gz OYMQGFZMJZXYPL-QFIPXVFZSA-N 1 0 341.835 3.353 20 10 EGCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000817413429 1319353194 /nfs/dbraw/zinc/35/31/94/1319353194.db2.gz XTXLVFYJAAHIBU-JTQLQIEISA-N 1 0 348.321 3.473 20 10 EGCDRO c1csc(Sc2nnc(CN3CCCC3)n2-c2ccccc2)n1 ZINC000914862641 1319390014 /nfs/dbraw/zinc/39/00/14/1319390014.db2.gz LLJQCSKHQPGTSG-UHFFFAOYSA-N 1 0 343.481 3.471 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817939300 1319465942 /nfs/dbraw/zinc/46/59/42/1319465942.db2.gz BAWGMGZGQGYSHR-OALUTQOASA-N 1 0 343.446 3.395 20 10 EGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938897 1319466918 /nfs/dbraw/zinc/46/69/18/1319466918.db2.gz VHBRYNXREVJTTI-ACJLOTCBSA-N 1 0 328.416 3.011 20 10 EGCDRO COc1cccc2c1CCC[C@H]2[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940807 1319468249 /nfs/dbraw/zinc/46/82/49/1319468249.db2.gz HUTFHCPPQMOEJU-VQTJNVASSA-N 1 0 339.483 3.428 20 10 EGCDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940272 1319468266 /nfs/dbraw/zinc/46/82/66/1319468266.db2.gz FHXQBWWQAARFTC-BEVDRBHNSA-N 1 0 327.472 3.118 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000817942601 1319469675 /nfs/dbraw/zinc/46/96/75/1319469675.db2.gz PUZBYLFZUKRYMZ-RBUKOAKNSA-N 1 0 331.410 3.308 20 10 EGCDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(N)cc2)nnn1-c1ccc(F)cc1 ZINC000817955913 1319476859 /nfs/dbraw/zinc/47/68/59/1319476859.db2.gz LDQDXMJDRVZPDO-CYBMUJFWSA-N 1 0 339.418 3.190 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(Br)cc(F)c1[O-] ZINC000817981795 1319485180 /nfs/dbraw/zinc/48/51/80/1319485180.db2.gz NSWQCZXNBYTRDP-QXEWZRGKSA-N 1 0 331.229 3.072 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000817984432 1319485452 /nfs/dbraw/zinc/48/54/52/1319485452.db2.gz YCLFPQLYDXTKAP-KDOFPFPSSA-N 1 0 342.439 3.310 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1 ZINC000817996550 1319487776 /nfs/dbraw/zinc/48/77/76/1319487776.db2.gz HYHYSKKWLTWRCY-SCLBCKFNSA-N 1 0 342.439 3.304 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000818220854 1319521929 /nfs/dbraw/zinc/52/19/29/1319521929.db2.gz NGCZHSZHHHVNOD-INIZCTEOSA-N 1 0 341.411 3.220 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1O ZINC000818230766 1319524446 /nfs/dbraw/zinc/52/44/46/1319524446.db2.gz SDXJHTYAUFSNEU-QWHCGFSZSA-N 1 0 326.234 3.442 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)C2)cc1 ZINC000818341865 1319530250 /nfs/dbraw/zinc/53/02/50/1319530250.db2.gz HWBXMIRHPDIZPX-HZPDHXFCSA-N 1 0 348.487 3.231 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)C2)cc1 ZINC000818342361 1319531156 /nfs/dbraw/zinc/53/11/56/1319531156.db2.gz POKJUWKBLLDAFX-HUYLIWGRSA-N 1 0 344.499 3.315 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CC(C)(C)OC3(C)C)C2)cc1 ZINC000818343644 1319532163 /nfs/dbraw/zinc/53/21/63/1319532163.db2.gz CFUNXUGOKCXBOH-YJBOKZPZSA-N 1 0 332.488 3.457 20 10 EGCDRO C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000916446960 1319653189 /nfs/dbraw/zinc/65/31/89/1319653189.db2.gz FJEBQNYJGKUTLV-DLBZAZTESA-N 1 0 346.519 3.157 20 10 EGCDRO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917073886 1319749592 /nfs/dbraw/zinc/74/95/92/1319749592.db2.gz GWJVCIBTTHSNNE-CALCHBBNSA-N 1 0 343.515 3.222 20 10 EGCDRO Cc1ccccc1OCCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000917486694 1319821588 /nfs/dbraw/zinc/82/15/88/1319821588.db2.gz SRBLJXMIAGAFGU-UHFFFAOYSA-N 1 0 329.396 3.330 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C3(C)CC=CC3)C2)cc1C ZINC000962264137 1319889031 /nfs/dbraw/zinc/88/90/31/1319889031.db2.gz AXEBCVGOVQMPES-UHFFFAOYSA-N 1 0 342.483 3.344 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1O ZINC000822502948 1320089274 /nfs/dbraw/zinc/08/92/74/1320089274.db2.gz BGMTWDMMFCDAFU-PKOBYXMFSA-N 1 0 338.451 3.107 20 10 EGCDRO CCOC(=O)CN(CCCc1ccc(C)nc1)Cc1ccccc1O ZINC000822512262 1320091774 /nfs/dbraw/zinc/09/17/74/1320091774.db2.gz ZAIUAKNQIBXBLZ-UHFFFAOYSA-N 1 0 342.439 3.094 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H](C)O1 ZINC000823764880 1320204358 /nfs/dbraw/zinc/20/43/58/1320204358.db2.gz DAIAYWFGABHFDK-IGCXYCKISA-N 1 0 340.414 3.412 20 10 EGCDRO OCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCCC1 ZINC000824100229 1320228795 /nfs/dbraw/zinc/22/87/95/1320228795.db2.gz ZOFWFAPWCBXMBF-UHFFFAOYSA-N 1 0 327.424 3.366 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2ccnn2C)cc1 ZINC000824171583 1320235548 /nfs/dbraw/zinc/23/55/48/1320235548.db2.gz FSDOZKBDXCNUEZ-UHFFFAOYSA-N 1 0 340.496 3.450 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c(O)c1 ZINC000824947833 1320298459 /nfs/dbraw/zinc/29/84/59/1320298459.db2.gz MEKGUNNFEBUYAK-APWZRJJASA-N 1 0 328.412 3.196 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1O ZINC000825103009 1320310418 /nfs/dbraw/zinc/31/04/18/1320310418.db2.gz AVOSCTVNPVKTGZ-GJZGRUSLSA-N 1 0 325.836 3.444 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000825188658 1320317125 /nfs/dbraw/zinc/31/71/25/1320317125.db2.gz MBRHAUACMHVPLO-IAGOWNOFSA-N 1 0 325.456 3.260 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cnc(C)cc3C)CC2)cc1 ZINC000825221356 1320319743 /nfs/dbraw/zinc/31/97/43/1320319743.db2.gz JVZAZOQHRNNJCB-UHFFFAOYSA-N 1 0 325.456 3.466 20 10 EGCDRO COC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825288329 1320323920 /nfs/dbraw/zinc/32/39/20/1320323920.db2.gz QXJCDHADRBXWPT-UHFFFAOYSA-N 1 0 349.814 3.196 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1Cl ZINC000825366317 1320331938 /nfs/dbraw/zinc/33/19/38/1320331938.db2.gz VOUDHZODRFGBIU-MRXNPFEDSA-N 1 0 336.863 3.377 20 10 EGCDRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000825753923 1320360632 /nfs/dbraw/zinc/36/06/32/1320360632.db2.gz XBLMOPXYXDCACQ-HNNXBMFYSA-N 1 0 345.439 3.147 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000827340548 1320445297 /nfs/dbraw/zinc/44/52/97/1320445297.db2.gz GHIWMMUAQYUGPQ-OAHLLOKOSA-N 1 0 325.456 3.483 20 10 EGCDRO CC(C)(CO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838988285 1320847991 /nfs/dbraw/zinc/84/79/91/1320847991.db2.gz YHXKKTMLGCQCSN-UHFFFAOYSA-N 1 0 341.293 3.300 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000839146754 1320880461 /nfs/dbraw/zinc/88/04/61/1320880461.db2.gz UDWVOCZOCBQNCJ-UHFFFAOYSA-N 1 0 348.393 3.105 20 10 EGCDRO C[C@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000839540803 1320934852 /nfs/dbraw/zinc/93/48/52/1320934852.db2.gz FIXRZEDSXCHOCZ-LAUBAEHRSA-N 1 0 340.467 3.298 20 10 EGCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920680 1320996499 /nfs/dbraw/zinc/99/64/99/1320996499.db2.gz SDWXQYAVZTXBPL-HOTGVXAUSA-N 1 0 333.520 3.275 20 10 EGCDRO COc1cc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000840161182 1321041559 /nfs/dbraw/zinc/04/15/59/1321041559.db2.gz SXELBFIBZHXHKX-LJQANCHMSA-N 1 0 335.444 3.263 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1Cl ZINC000840181959 1321044567 /nfs/dbraw/zinc/04/45/67/1321044567.db2.gz BKKDMHZBIKFODU-INIZCTEOSA-N 1 0 349.814 3.112 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1O ZINC000840760079 1321142522 /nfs/dbraw/zinc/14/25/22/1321142522.db2.gz QZQRSIOXRQBOQA-ZDUSSCGKSA-N 1 0 348.393 3.358 20 10 EGCDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000840809376 1321153739 /nfs/dbraw/zinc/15/37/39/1321153739.db2.gz RPRIGCANQLBJSE-DOTOQJQBSA-N 1 0 329.440 3.444 20 10 EGCDRO CCNC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840930436 1321179716 /nfs/dbraw/zinc/17/97/16/1321179716.db2.gz MANBJKRTDLOVEF-UHFFFAOYSA-N 1 0 325.456 3.101 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000840931070 1321179795 /nfs/dbraw/zinc/17/97/95/1321179795.db2.gz RUNJEUGQEFRGAV-KRWDZBQOSA-N 1 0 330.447 3.141 20 10 EGCDRO [NH3+]CCc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000841032059 1321204269 /nfs/dbraw/zinc/20/42/69/1321204269.db2.gz IRWZXJDQYBPEIL-UHFFFAOYSA-N 1 0 325.239 3.490 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841068500 1321213389 /nfs/dbraw/zinc/21/33/89/1321213389.db2.gz DMIMOYDGBFVMKJ-INIZCTEOSA-N 1 0 347.256 3.131 20 10 EGCDRO C[NH+]1CCN(c2ccc(CN3CCCNc4ccccc43)cc2)CC1 ZINC000841089955 1321216728 /nfs/dbraw/zinc/21/67/28/1321216728.db2.gz RZMCALFLUDGHHR-UHFFFAOYSA-N 1 0 336.483 3.261 20 10 EGCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299953 1321249365 /nfs/dbraw/zinc/24/93/65/1321249365.db2.gz KUASIKKOJNCEPE-CVEARBPZSA-N 1 0 330.476 3.387 20 10 EGCDRO C[NH2+]Cc1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000841332836 1321258304 /nfs/dbraw/zinc/25/83/04/1321258304.db2.gz VBTZMXICALREPF-GFCCVEGCSA-N 1 0 329.400 3.003 20 10 EGCDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841743415 1321304794 /nfs/dbraw/zinc/30/47/94/1321304794.db2.gz GDURXGHFQUEDIY-DZGCQCFKSA-N 1 0 326.868 3.053 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCOCC2)c2c1c(F)ccc2O ZINC000841763735 1321309080 /nfs/dbraw/zinc/30/90/80/1321309080.db2.gz QLKDQMOUTKNKJE-GXTWGEPZSA-N 1 0 337.435 3.237 20 10 EGCDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000841864203 1321324179 /nfs/dbraw/zinc/32/41/79/1321324179.db2.gz HIFWVWKHHIEASH-UONOGXRCSA-N 1 0 340.414 3.414 20 10 EGCDRO CC(C)C[C@@H](C[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000841952104 1321331537 /nfs/dbraw/zinc/33/15/37/1321331537.db2.gz STBZUSZJANAXPD-KRWDZBQOSA-N 1 0 334.508 3.046 20 10 EGCDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000842010337 1321334820 /nfs/dbraw/zinc/33/48/20/1321334820.db2.gz JLLSIZGEPOAMCP-WBVHZDCISA-N 1 0 345.487 3.364 20 10 EGCDRO CCOc1cccc(C[NH2+][C@H](CC)C(=O)NCc2cccs2)c1O ZINC000842749918 1321427560 /nfs/dbraw/zinc/42/75/60/1321427560.db2.gz JRZGNCFLUNBHJG-OAHLLOKOSA-N 1 0 348.468 3.037 20 10 EGCDRO CCCN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000843052547 1321462287 /nfs/dbraw/zinc/46/22/87/1321462287.db2.gz NQPKKFZBSLHYDY-KRWDZBQOSA-N 1 0 346.475 3.159 20 10 EGCDRO Cc1cc(C(=O)CN2CCC([NH3+])CC2)c(C)n1-c1ccc(C)cc1 ZINC000843344874 1321502744 /nfs/dbraw/zinc/50/27/44/1321502744.db2.gz DBWXURIQRWUKPH-UHFFFAOYSA-N 1 0 325.456 3.008 20 10 EGCDRO Cc1ccc(NC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)cc1F ZINC000843349621 1321503148 /nfs/dbraw/zinc/50/31/48/1321503148.db2.gz GLNMIHDGBNUKLB-AWEZNQCLSA-N 1 0 341.430 3.373 20 10 EGCDRO C[C@H](c1cn(-c2ccccc2)nn1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350104 1321503301 /nfs/dbraw/zinc/50/33/01/1321503301.db2.gz IZFNGSZXCOLAMM-OAHLLOKOSA-N 1 0 333.439 3.240 20 10 EGCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1O ZINC000843378777 1321508684 /nfs/dbraw/zinc/50/86/84/1321508684.db2.gz AGNQNEXBGJAPQA-ZWKOTPCHSA-N 1 0 344.842 3.175 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000843420643 1321515779 /nfs/dbraw/zinc/51/57/79/1321515779.db2.gz AWBKVUVMZSJFRO-CJNGLKHVSA-N 1 0 328.378 3.382 20 10 EGCDRO COc1cccc(C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)c1O ZINC000843428931 1321517250 /nfs/dbraw/zinc/51/72/50/1321517250.db2.gz QRIJZGHUSPQHOB-UHFFFAOYSA-N 1 0 335.444 3.345 20 10 EGCDRO CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC[C@@H]1[NH3+] ZINC000843471179 1321521058 /nfs/dbraw/zinc/52/10/58/1321521058.db2.gz OHQSCJQQEIKRHD-BEFAXECRSA-N 1 0 343.446 3.433 20 10 EGCDRO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843484667 1321522332 /nfs/dbraw/zinc/52/23/32/1321522332.db2.gz KVYQGXCNCFKYGU-HZPDHXFCSA-N 1 0 326.440 3.338 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000843488219 1321522382 /nfs/dbraw/zinc/52/23/82/1321522382.db2.gz UKWPMFDCNXDPBW-SFHVURJKSA-N 1 0 345.874 3.455 20 10 EGCDRO C[C@H](CCNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCCCC1 ZINC000845107426 1321676405 /nfs/dbraw/zinc/67/64/05/1321676405.db2.gz RQSVXQZWLMUXNK-CYBMUJFWSA-N 1 0 339.867 3.109 20 10 EGCDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846073976 1321766672 /nfs/dbraw/zinc/76/66/72/1321766672.db2.gz UYRFULZFYVMKNA-OAHLLOKOSA-N 1 0 347.459 3.490 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c1O ZINC000846135954 1321770206 /nfs/dbraw/zinc/77/02/06/1321770206.db2.gz DOJQABSXZLPUBN-CXAGYDPISA-N 1 0 332.419 3.493 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)c1O ZINC000846142246 1321770727 /nfs/dbraw/zinc/77/07/27/1321770727.db2.gz YQRABFCSKNWAEA-GFCCVEGCSA-N 1 0 347.411 3.277 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)c1O ZINC000846150164 1321772063 /nfs/dbraw/zinc/77/20/63/1321772063.db2.gz APLOCDAFWSORCC-ZDUSSCGKSA-N 1 0 346.402 3.011 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000846149677 1321772154 /nfs/dbraw/zinc/77/21/54/1321772154.db2.gz ORAJGFXFZHFEKT-QWHCGFSZSA-N 1 0 338.448 3.355 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)c1O ZINC000846155752 1321772741 /nfs/dbraw/zinc/77/27/41/1321772741.db2.gz XZUQIAJXQSXKSP-KBPBESRZSA-N 1 0 329.396 3.282 20 10 EGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846161107 1321773392 /nfs/dbraw/zinc/77/33/92/1321773392.db2.gz ZQSHFKXFBHVUDO-ZDUSSCGKSA-N 1 0 349.452 3.045 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1O ZINC000846167877 1321773729 /nfs/dbraw/zinc/77/37/29/1321773729.db2.gz FWWWWMCBCGFZKW-HBUWYVDXSA-N 1 0 328.412 3.367 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)c1O ZINC000846171494 1321774076 /nfs/dbraw/zinc/77/40/76/1321774076.db2.gz SZSIAVGWMPJVGA-CYBMUJFWSA-N 1 0 338.407 3.104 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846173508 1321774437 /nfs/dbraw/zinc/77/44/37/1321774437.db2.gz SDRYCAROPSXPTQ-KDOFPFPSSA-N 1 0 344.455 3.363 20 10 EGCDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000846215840 1321776889 /nfs/dbraw/zinc/77/68/89/1321776889.db2.gz TXVJGKRJCWHEHX-YLJYHZDGSA-N 1 0 332.488 3.259 20 10 EGCDRO C[NH+](C)[C@@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000846474559 1321788016 /nfs/dbraw/zinc/78/80/16/1321788016.db2.gz VCARUYYFDBXFKG-INIZCTEOSA-N 1 0 332.831 3.355 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)c1ccc(N(C)C)cc1 ZINC000846860225 1321818124 /nfs/dbraw/zinc/81/81/24/1321818124.db2.gz IFOHRHQUWGMKHT-UTKZUKDTSA-N 1 0 339.483 3.309 20 10 EGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848882699 1322028062 /nfs/dbraw/zinc/02/80/62/1322028062.db2.gz YJACRZWVLUIPBX-UHFFFAOYSA-N 1 0 332.488 3.425 20 10 EGCDRO CCc1cccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000848882387 1322028690 /nfs/dbraw/zinc/02/86/90/1322028690.db2.gz ODTQVXCKKHAXMV-UHFFFAOYSA-N 1 0 344.480 3.364 20 10 EGCDRO CCc1cccc(C[N@H+](C)Cc2ccc(OCC(=O)OC)cc2)c1O ZINC000848903878 1322039650 /nfs/dbraw/zinc/03/96/50/1322039650.db2.gz GAAAWQXMSRCTAG-UHFFFAOYSA-N 1 0 343.423 3.138 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](CN(C)C)c2ccc(OC)cc2)c1O ZINC000848911644 1322043036 /nfs/dbraw/zinc/04/30/36/1322043036.db2.gz WXLMUPUGUVKPRM-IBGZPJMESA-N 1 0 328.456 3.356 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000848926706 1322047283 /nfs/dbraw/zinc/04/72/83/1322047283.db2.gz WSOAPRDVCOHPMT-JTQLQIEISA-N 1 0 329.824 3.122 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000848939764 1322048646 /nfs/dbraw/zinc/04/86/46/1322048646.db2.gz CIFOVNUAADLPTE-RDTXWAMCSA-N 1 0 329.419 3.185 20 10 EGCDRO CCOc1cccc(C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1O ZINC000849349605 1322116000 /nfs/dbraw/zinc/11/60/00/1322116000.db2.gz CFAKSXFDQPVTQP-QZTJIDSGSA-N 1 0 344.430 3.165 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccc1C ZINC000920302103 1322160383 /nfs/dbraw/zinc/16/03/83/1322160383.db2.gz GURFLALJGXGPHA-KRWDZBQOSA-N 1 0 337.467 3.369 20 10 EGCDRO COc1cc(C[NH2+][C@@H](C)Cc2cnccn2)c(O)c(C(C)(C)C)c1 ZINC000850093042 1322192497 /nfs/dbraw/zinc/19/24/97/1322192497.db2.gz CYBFHSKRMHEZQX-ZDUSSCGKSA-N 1 0 329.444 3.209 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)cc1C ZINC000850413836 1322241396 /nfs/dbraw/zinc/24/13/96/1322241396.db2.gz QWPBORCMOICEJU-UHFFFAOYSA-N 1 0 339.439 3.213 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)ccc1OC ZINC000850411959 1322241586 /nfs/dbraw/zinc/24/15/86/1322241586.db2.gz PODQUZRLHSBGAP-JXFKEZNVSA-N 1 0 343.467 3.486 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)ccc1OC ZINC000850411960 1322241865 /nfs/dbraw/zinc/24/18/65/1322241865.db2.gz PODQUZRLHSBGAP-OXJNMPFZSA-N 1 0 343.467 3.486 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1C ZINC000850418542 1322244314 /nfs/dbraw/zinc/24/43/14/1322244314.db2.gz MBXPZUGZSSPYTQ-OAHLLOKOSA-N 1 0 325.330 3.244 20 10 EGCDRO CCOC1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000850424942 1322246459 /nfs/dbraw/zinc/24/64/59/1322246459.db2.gz OGIXBMMFBFOPNB-UHFFFAOYSA-N 1 0 336.451 3.100 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(Cl)cc3)CC1)OCO2 ZINC000921053256 1322249465 /nfs/dbraw/zinc/24/94/65/1322249465.db2.gz KCWIDWHNXMAQFI-UHFFFAOYSA-N 1 0 346.814 3.097 20 10 EGCDRO CNC(=O)CC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CCCCC1 ZINC000850554886 1322264971 /nfs/dbraw/zinc/26/49/71/1322264971.db2.gz HALREIGLZVRURI-CQSZACIVSA-N 1 0 334.460 3.138 20 10 EGCDRO CNC(=O)CC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCCCC1 ZINC000850554478 1322265418 /nfs/dbraw/zinc/26/54/18/1322265418.db2.gz DNEGUEZLFXCVMZ-CQSZACIVSA-N 1 0 334.460 3.138 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccncc1 ZINC000850567439 1322269490 /nfs/dbraw/zinc/26/94/90/1322269490.db2.gz CBRCHQUXJGXVHS-HXUWFJFHSA-N 1 0 325.456 3.284 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1 ZINC000850563474 1322269687 /nfs/dbraw/zinc/26/96/87/1322269687.db2.gz YPTFTNYCZGHXTJ-OXQOHEQNSA-N 1 0 334.504 3.361 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cccc4c3OCC4)CC2)cc1 ZINC000921656585 1322372135 /nfs/dbraw/zinc/37/21/35/1322372135.db2.gz NOMYBALWAFDHOV-UHFFFAOYSA-N 1 0 338.451 3.389 20 10 EGCDRO C[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccccc1O ZINC000851841893 1323100057 /nfs/dbraw/zinc/10/00/57/1323100057.db2.gz ZJAFQRWOSXLGKH-KRWDZBQOSA-N 1 0 328.437 3.327 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1 ZINC000852529469 1323206160 /nfs/dbraw/zinc/20/61/60/1323206160.db2.gz VEZYDBXOCIINTM-UHFFFAOYSA-N 1 0 345.487 3.242 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C(C)(C)C)C[C@@H]23)cc1C ZINC001026406400 1324778882 /nfs/dbraw/zinc/77/88/82/1324778882.db2.gz YXAUODJIXFRGKK-KZNAEPCWSA-N 1 0 344.499 3.376 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)C(C)(F)F)CC2)cc1C ZINC001026440490 1324802871 /nfs/dbraw/zinc/80/28/71/1324802871.db2.gz CFAAYIUMERMCOD-UHFFFAOYSA-N 1 0 340.414 3.176 20 10 EGCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)c3ccoc3)CC2)cc1C ZINC001026453199 1324817043 /nfs/dbraw/zinc/81/70/43/1324817043.db2.gz MOWBLYYGYRFWEM-UHFFFAOYSA-N 1 0 342.439 3.427 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccoc3C)C2)cc1C ZINC001026670915 1324965035 /nfs/dbraw/zinc/96/50/35/1324965035.db2.gz IIQJBAFFDBKCIW-QGZVFWFLSA-N 1 0 342.439 3.157 20 10 EGCDRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000854723153 1325298928 /nfs/dbraw/zinc/29/89/28/1325298928.db2.gz UFVLTZBWGQFBTA-UHFFFAOYSA-N 1 0 345.874 3.381 20 10 EGCDRO CCOc1cncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000857012116 1325554770 /nfs/dbraw/zinc/55/47/70/1325554770.db2.gz WTIVKMLJFALBPG-GOSISDBHSA-N 1 0 342.439 3.367 20 10 EGCDRO Cc1cc(C[NH2+][C@H](C)C[C@@H]2CCC(=O)N2)c(C)n1-c1ccccc1 ZINC000926765422 1327706740 /nfs/dbraw/zinc/70/67/40/1327706740.db2.gz UDDPCEZLNFLXPZ-KDOFPFPSSA-N 1 0 325.456 3.241 20 10 EGCDRO C[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000926914186 1327773614 /nfs/dbraw/zinc/77/36/14/1327773614.db2.gz XVDGFEDARHGHMZ-HNNXBMFYSA-N 1 0 346.496 3.049 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1 ZINC000926919787 1327776795 /nfs/dbraw/zinc/77/67/95/1327776795.db2.gz FLKUOHFYAOQJDA-NWDGAFQWSA-N 1 0 332.366 3.078 20 10 EGCDRO CC[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000927084867 1327853625 /nfs/dbraw/zinc/85/36/25/1327853625.db2.gz WOADZEZIZILNKV-JSGCOSHPSA-N 1 0 333.350 3.257 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000862251038 1329471423 /nfs/dbraw/zinc/47/14/23/1329471423.db2.gz ZCUGXGITJFKKCL-NEPJUHHUSA-N 1 0 326.234 3.013 20 10 EGCDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862352063 1329476794 /nfs/dbraw/zinc/47/67/94/1329476794.db2.gz XHHIBPATXOCVBC-VXGBXAGGSA-N 1 0 328.250 3.280 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000862359824 1329477722 /nfs/dbraw/zinc/47/77/22/1329477722.db2.gz RDRAQPMXBAMSPI-DZGCQCFKSA-N 1 0 326.234 3.298 20 10 EGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(O)cccc1Br ZINC000862367175 1329478438 /nfs/dbraw/zinc/47/84/38/1329478438.db2.gz YKFSDYGDIXNGPP-IUODEOHRSA-N 1 0 339.277 3.213 20 10 EGCDRO COc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC000864042533 1329594694 /nfs/dbraw/zinc/59/46/94/1329594694.db2.gz QPCDJVHIBSORCQ-UHFFFAOYSA-N 1 0 329.419 3.198 20 10 EGCDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000866414236 1330109159 /nfs/dbraw/zinc/10/91/59/1330109159.db2.gz BBYBCXXHTGSGFW-CABCVRRESA-N 1 0 340.895 3.378 20 10 EGCDRO O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000866677542 1330140530 /nfs/dbraw/zinc/14/05/30/1330140530.db2.gz MIFFXNPICRFXBJ-ROUUACIJSA-N 1 0 335.411 3.087 20 10 EGCDRO CCc1occc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000968546255 1335958393 /nfs/dbraw/zinc/95/83/93/1335958393.db2.gz ZIVFEUFXGXVYMV-MRXNPFEDSA-N 1 0 342.439 3.163 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C2)cc1C ZINC000969095326 1336140540 /nfs/dbraw/zinc/14/05/40/1336140540.db2.gz QYHQEQHJOSBGMD-DOTOQJQBSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)=C3CCC3)C2)cc1C ZINC001018823586 1339735192 /nfs/dbraw/zinc/73/51/92/1339735192.db2.gz FWVGIQYKAVJKJI-SFHVURJKSA-N 1 0 328.456 3.195 20 10 EGCDRO C/C=C(/C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001035979154 1343298412 /nfs/dbraw/zinc/29/84/12/1343298412.db2.gz XOLMHSHWUVAJBU-NCKXEGHVSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)C(C)C)cc1C ZINC001037188572 1344028527 /nfs/dbraw/zinc/02/85/27/1344028527.db2.gz QXSJMUMRPHZXBA-QZTJIDSGSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C=C2CCC2)cc1C ZINC001044988044 1346476001 /nfs/dbraw/zinc/47/60/01/1346476001.db2.gz NDYCNDFEXCTGJZ-SFHVURJKSA-N 1 0 328.456 3.195 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2[nH]ccc2C)cc1C ZINC001045018647 1346481214 /nfs/dbraw/zinc/48/12/14/1346481214.db2.gz UDYRRAFGCDCPQK-KRWDZBQOSA-N 1 0 341.455 3.035 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CC2(C)CC2)cc1C ZINC001045123635 1346499261 /nfs/dbraw/zinc/49/92/61/1346499261.db2.gz YKYATEZYMWOIRL-KRWDZBQOSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3=CCCC3)C[C@@H]2C)cc1C ZINC001048204645 1347493627 /nfs/dbraw/zinc/49/36/27/1347493627.db2.gz RMDOVHXFTIZGMM-QFBILLFUSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCC3(C)C)C2)cc1C ZINC001086172800 1359014613 /nfs/dbraw/zinc/01/46/13/1359014613.db2.gz LWCKYMHNWWLGEB-FGTMMUONSA-N 1 0 344.499 3.424 20 10 EGCDRO CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994249 1358949801 /nfs/dbraw/zinc/94/98/01/1358949801.db2.gz GUYXHLHDYIDCAN-MRXNPFEDSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[C@@H]3C(C)C)C2)cc1C ZINC001086238341 1359035863 /nfs/dbraw/zinc/03/58/63/1359035863.db2.gz HNVZTCQVRSBLQZ-HCXYKTFWSA-N 1 0 344.499 3.280 20 10 EGCDRO CC[C@@]1(C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086520496 1359128399 /nfs/dbraw/zinc/12/83/99/1359128399.db2.gz GFJYTWGCIRYTAL-IKVWTGGYSA-N 1 0 344.499 3.424 20 10 EGCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1)C(N)=O ZINC001324379402 1387614838 /nfs/dbraw/zinc/61/48/38/1387614838.db2.gz VEOHRIDPRAIWHJ-SFHVURJKSA-N 1 0 343.515 3.400 20 10 EGCDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)CC1CCOCC1 ZINC001325012472 1387874680 /nfs/dbraw/zinc/87/46/80/1387874680.db2.gz YSMPDVWDLWLOMU-MRXNPFEDSA-N 1 0 329.440 3.060 20 10 EGCDRO C[NH+]1CCN(c2cccc(NC(=S)Nc3ccc(F)cc3)c2)CC1 ZINC001196942018 1368717924 /nfs/dbraw/zinc/71/79/24/1368717924.db2.gz HYFJFHIZDXVRFB-UHFFFAOYSA-N 1 0 344.459 3.386 20 10 EGCDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197147310 1368755076 /nfs/dbraw/zinc/75/50/76/1368755076.db2.gz DYYXSENCKBGYQK-FMQUCBEESA-N 1 0 346.456 3.332 20 10 EGCDRO CC(C)(C)OC(=O)N1CCCCC12C[NH+](Cc1ccccc1O)C2 ZINC001203556575 1370168666 /nfs/dbraw/zinc/16/86/66/1370168666.db2.gz UMPWQYUOEWFDSE-UHFFFAOYSA-N 1 0 332.444 3.368 20 10 EGCDRO COc1cccc(C[N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c1O ZINC001203595458 1370181823 /nfs/dbraw/zinc/18/18/23/1370181823.db2.gz BGMTWDMMFCDAFU-HKUYNNGSSA-N 1 0 338.451 3.107 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1O ZINC001203595459 1370182089 /nfs/dbraw/zinc/18/20/89/1370182089.db2.gz BGMTWDMMFCDAFU-IEBWSBKVSA-N 1 0 338.451 3.107 20 10 EGCDRO COc1cccc(C[NH+]2CCC3(Cc4ccccc4O3)CC2)c1O ZINC001203596899 1370182734 /nfs/dbraw/zinc/18/27/34/1370182734.db2.gz SQHPXYQFIYDUFN-UHFFFAOYSA-N 1 0 325.408 3.371 20 10 EGCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)n1 ZINC001203596630 1370182838 /nfs/dbraw/zinc/18/28/38/1370182838.db2.gz MNMGAOCVYRAKBZ-CQSZACIVSA-N 1 0 331.416 3.116 20 10 EGCDRO CCOc1cccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c1O ZINC001203609537 1370186621 /nfs/dbraw/zinc/18/66/21/1370186621.db2.gz XUJHGNIDPDYGFV-UHFFFAOYSA-N 1 0 347.846 3.162 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c1O ZINC001203617143 1370189750 /nfs/dbraw/zinc/18/97/50/1370189750.db2.gz JJECKGFXMVJNGD-MRXNPFEDSA-N 1 0 328.412 3.148 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c(O)c1 ZINC001203631037 1370194197 /nfs/dbraw/zinc/19/41/97/1370194197.db2.gz YNCDUFDOXJJNLK-HNNXBMFYSA-N 1 0 335.350 3.332 20 10 EGCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203656783 1370203547 /nfs/dbraw/zinc/20/35/47/1370203547.db2.gz XQYFWLUWHNOKEG-RDTXWAMCSA-N 1 0 339.863 3.453 20 10 EGCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203664208 1370207031 /nfs/dbraw/zinc/20/70/31/1370207031.db2.gz QYWAINOVVHHMEY-KRWDZBQOSA-N 1 0 338.879 3.121 20 10 EGCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1C ZINC001203665211 1370207996 /nfs/dbraw/zinc/20/79/96/1370207996.db2.gz BMSXEPOZNZKMTF-QWHCGFSZSA-N 1 0 325.836 3.457 20 10 EGCDRO COC(=O)c1ccc(C2C[NH+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC001203664406 1370209001 /nfs/dbraw/zinc/20/90/01/1370209001.db2.gz DEJDEDBRUIGXPX-UHFFFAOYSA-N 1 0 331.799 3.432 20 10 EGCDRO COc1ccccc1[C@H](O)C[N@H+](Cc1ccc(O)c(O)c1)C(C)C ZINC001203880748 1370298172 /nfs/dbraw/zinc/29/81/72/1370298172.db2.gz YNFHZRMDXOVQQM-GOSISDBHSA-N 1 0 331.412 3.050 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001203931980 1370319471 /nfs/dbraw/zinc/31/94/71/1370319471.db2.gz ZXAYZEDVGQLDSG-WMZOPIPTSA-N 1 0 345.487 3.194 20 10 EGCDRO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001203932753 1370320788 /nfs/dbraw/zinc/32/07/88/1370320788.db2.gz BOKIVQTXEYFOJX-HXUWFJFHSA-N 1 0 329.488 3.120 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001203936234 1370322892 /nfs/dbraw/zinc/32/28/92/1370322892.db2.gz FHOLWEGGTVQVCW-RBBKRZOGSA-N 1 0 335.495 3.459 20 10 EGCDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204275389 1370429171 /nfs/dbraw/zinc/42/91/71/1370429171.db2.gz PXPUOXNFYBZLQD-MRXNPFEDSA-N 1 0 329.396 3.150 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(O)cc2O)[C@@H](c2ccccc2)C1 ZINC001204277698 1370429652 /nfs/dbraw/zinc/42/96/52/1370429652.db2.gz IOPQWMJAPMQSNB-MAUKXSAKSA-N 1 0 341.407 3.224 20 10 EGCDRO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278627 1370430579 /nfs/dbraw/zinc/43/05/79/1370430579.db2.gz GPUQFACRNLFATP-UHFFFAOYSA-N 1 0 325.408 3.221 20 10 EGCDRO Cc1noc(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001204322979 1370443916 /nfs/dbraw/zinc/44/39/16/1370443916.db2.gz XTOKFWJHTLYSHL-UHFFFAOYSA-N 1 0 326.444 3.358 20 10 EGCDRO Cc1nccnc1O[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329739 1370445554 /nfs/dbraw/zinc/44/55/54/1370445554.db2.gz YRRLKJDXSWGESO-LJQANCHMSA-N 1 0 338.455 3.039 20 10 EGCDRO c1cnc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001204329372 1370445713 /nfs/dbraw/zinc/44/57/13/1370445713.db2.gz OGJUTLZJYITBFB-LJQANCHMSA-N 1 0 338.455 3.120 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001116047840 1370826633 /nfs/dbraw/zinc/82/66/33/1370826633.db2.gz XHCVPWYLVGKRBB-OALUTQOASA-N 1 0 346.519 3.157 20 10 EGCDRO Cc1cc(Br)c(O)c(CN2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205842188 1370890012 /nfs/dbraw/zinc/89/00/12/1370890012.db2.gz MYRPDDIJERGUGX-ZWNOBZJWSA-N 1 0 327.266 3.022 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC001326020307 1388101506 /nfs/dbraw/zinc/10/15/06/1388101506.db2.gz BKGTWYYFOYSDDI-UHFFFAOYSA-N 1 0 325.447 3.352 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116442485 1370912271 /nfs/dbraw/zinc/91/22/71/1370912271.db2.gz YXEQFOULUMIMGD-KRWDZBQOSA-N 1 0 345.487 3.386 20 10 EGCDRO [NH3+][C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC(F)(F)C1 ZINC001206146684 1370972610 /nfs/dbraw/zinc/97/26/10/1370972610.db2.gz XSUPELAWMOBGEY-INIZCTEOSA-N 1 0 336.357 3.367 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]CCSCC(F)(F)F)cc1F ZINC001118909617 1371248316 /nfs/dbraw/zinc/24/83/16/1371248316.db2.gz VVDMLLAMVHWZOT-UHFFFAOYSA-N 1 0 328.350 3.416 20 10 EGCDRO FC(F)(F)Oc1ccc(N2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1 ZINC001207469272 1371404279 /nfs/dbraw/zinc/40/42/79/1371404279.db2.gz LFNJLVGORINGDC-AWEZNQCLSA-N 1 0 344.377 3.134 20 10 EGCDRO CCOc1ccc(N2CC[NH+](CCc3ccc(OC)cc3)CC2)cc1 ZINC001207478921 1371407392 /nfs/dbraw/zinc/40/73/92/1371407392.db2.gz NRMVPDYLKKLOQF-UHFFFAOYSA-N 1 0 340.467 3.459 20 10 EGCDRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001208228272 1371667088 /nfs/dbraw/zinc/66/70/88/1371667088.db2.gz XLSKWEORJBQPKF-AWEZNQCLSA-N 1 0 325.408 3.358 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CCN(c2cccnn2)CC1 ZINC001326340347 1388159872 /nfs/dbraw/zinc/15/98/72/1388159872.db2.gz AHVNCTRLIQYCJH-GDBMZVCRSA-N 1 0 338.455 3.298 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 ZINC001209004480 1371971967 /nfs/dbraw/zinc/97/19/67/1371971967.db2.gz PBLCDOATORTFLO-KRWDZBQOSA-N 1 0 333.476 3.194 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1 ZINC001209004481 1371972076 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C[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC[NH2+]1 ZINC001210498780 1372367598 /nfs/dbraw/zinc/36/75/98/1372367598.db2.gz RSBCHKXCWDUTLP-MRXNPFEDSA-N 1 0 326.440 3.155 20 10 EGCDRO CC/C=C(/C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001214258799 1373032395 /nfs/dbraw/zinc/03/23/95/1373032395.db2.gz MBHWEYWJCCLZHQ-XMYDCDNOSA-N 1 0 330.472 3.296 20 10 EGCDRO CC1(C)C[C@H](Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218479447 1373621641 /nfs/dbraw/zinc/62/16/41/1373621641.db2.gz WBRNQQVGBSGIKJ-CQSZACIVSA-N 1 0 335.403 3.371 20 10 EGCDRO Oc1cccc(OC(F)(F)F)c1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222278167 1373823824 /nfs/dbraw/zinc/82/38/24/1373823824.db2.gz XLMGTEZBYAEZBX-INIZCTEOSA-N 1 0 344.377 3.256 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2ccncc2)cc1C ZINC001133544791 1376076756 /nfs/dbraw/zinc/07/67/56/1376076756.db2.gz LSOCSRSLNKMDOQ-HOTGVXAUSA-N 1 0 341.455 3.085 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC(C)=O)cc1C ZINC001133665837 1376144793 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YAPORFSQSCXEGA-UHFFFAOYSA-N 1 0 341.455 3.200 20 10 EGCDRO CCN(C(C)=O)C1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926191 1378183164 /nfs/dbraw/zinc/18/31/64/1378183164.db2.gz HYQSMKOMXHEZQG-UHFFFAOYSA-N 1 0 337.895 3.239 20 10 EGCDRO CCOc1ccccc1N1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140948445 1378188161 /nfs/dbraw/zinc/18/81/61/1378188161.db2.gz IBNNYJHMSCGIOJ-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276837942 1378188825 /nfs/dbraw/zinc/18/88/25/1378188825.db2.gz JYHGNISQMKPLGR-INIZCTEOSA-N 1 0 328.378 3.329 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(OC)c1 ZINC001141030959 1378213900 /nfs/dbraw/zinc/21/39/00/1378213900.db2.gz SGYQWLWQVDOHTK-OAHLLOKOSA-N 1 0 341.407 3.114 20 10 EGCDRO c1cc(O[C@H]2CC[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)ccn1 ZINC001141077820 1378232559 /nfs/dbraw/zinc/23/25/59/1378232559.db2.gz ASJMVCGNKKPSPP-NRFANRHFSA-N 1 0 349.478 3.434 20 10 EGCDRO O[C@]1(CF)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075042 1378233028 /nfs/dbraw/zinc/23/30/28/1378233028.db2.gz XAPVVYDBTJBKJV-FQEVSTJZSA-N 1 0 332.463 3.072 20 10 EGCDRO c1c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc2c3c1CCCN3CCC2 ZINC001141075705 1378233038 /nfs/dbraw/zinc/23/30/38/1378233038.db2.gz XLLURUBGEFYIJZ-NRFANRHFSA-N 1 0 326.484 3.388 20 10 EGCDRO c1c(CN2CCC([NH+]3CCC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141079225 1378234008 /nfs/dbraw/zinc/23/40/08/1378234008.db2.gz XOBFLNDQYZDYNL-UHFFFAOYSA-N 1 0 325.500 3.056 20 10 EGCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H](C(=O)OC(C)(C)C)C3)ccc21 ZINC001141142884 1378248950 /nfs/dbraw/zinc/24/89/50/1378248950.db2.gz FEMHVGKLMNSHMM-MRXNPFEDSA-N 1 0 346.471 3.069 20 10 EGCDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141158466 1378253022 /nfs/dbraw/zinc/25/30/22/1378253022.db2.gz AMGHWHXEPAJOIA-INIZCTEOSA-N 1 0 329.396 3.150 20 10 EGCDRO COc1cccc(C(=O)C2CC[NH+](Cc3cc(O)ccc3O)CC2)c1 ZINC001141156154 1378253798 /nfs/dbraw/zinc/25/37/98/1378253798.db2.gz GHANYFTUSFDGPC-UHFFFAOYSA-N 1 0 341.407 3.201 20 10 EGCDRO Oc1ccc(O)c(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c1 ZINC001141159843 1378254973 /nfs/dbraw/zinc/25/49/73/1378254973.db2.gz KZHYWWMKJQFKLQ-UHFFFAOYSA-N 1 0 347.418 3.156 20 10 EGCDRO C[N@H+](Cc1cn2c(cccc2Br)n1)Cc1ccccc1O ZINC001143088135 1378536270 /nfs/dbraw/zinc/53/62/70/1378536270.db2.gz HUNCEOFVJSESPL-UHFFFAOYSA-N 1 0 346.228 3.434 20 10 EGCDRO CCN1CC[C@@]2(C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C)C1=O ZINC001143105438 1378540979 /nfs/dbraw/zinc/54/09/79/1378540979.db2.gz WCBUVOMCEDZETO-BTYIYWSLSA-N 1 0 344.499 3.380 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C[C@H]1CCC[NH2+]C1 ZINC001157431942 1380890376 /nfs/dbraw/zinc/89/03/76/1380890376.db2.gz BVFFKJKFIVEUAR-KUHUBIRLSA-N 1 0 330.472 3.138 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC001157435007 1380893055 /nfs/dbraw/zinc/89/30/55/1380893055.db2.gz QWAJZHHOMADCMC-DJCROIMJSA-N 1 0 330.472 3.137 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C(C)(C)CC(F)F)cc1C ZINC001159694885 1381872484 /nfs/dbraw/zinc/87/24/84/1381872484.db2.gz SSCHERYTDYRVPI-UHFFFAOYSA-N 1 0 342.430 3.281 20 10 EGCDRO c1ccc(O[C@H]2CCC[NH2+]C2)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001160234721 1382042621 /nfs/dbraw/zinc/04/26/21/1382042621.db2.gz YAGGEJBWULGNDL-HNNXBMFYSA-N 1 0 325.412 3.365 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)cc1C ZINC001161362094 1382383419 /nfs/dbraw/zinc/38/34/19/1382383419.db2.gz FSUAAGPUTTYLIH-RCCFBDPRSA-N 1 0 330.472 3.036 20 10 EGCDRO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001168828236 1384022376 /nfs/dbraw/zinc/02/23/76/1384022376.db2.gz FPSOEEFFAVCIDI-GJZGRUSLSA-N 1 0 334.460 3.497 20 10 EGCDRO Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001168828237 1384022662 /nfs/dbraw/zinc/02/26/62/1384022662.db2.gz FPSOEEFFAVCIDI-HUUCEWRRSA-N 1 0 334.460 3.497 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)c2ccc[nH]2)cc1C ZINC001169133053 1384111678 /nfs/dbraw/zinc/11/16/78/1384111678.db2.gz QOKNMKKYMKOJGL-MRXNPFEDSA-N 1 0 343.471 3.410 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCCC2(C1)OCCO2 ZINC001169947882 1384202262 /nfs/dbraw/zinc/20/22/62/1384202262.db2.gz GBSFCYJVUNHNIO-IBGZPJMESA-N 1 0 330.472 3.404 20 10 EGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C)c2O)c([N+](=O)[O-])c1 ZINC001170317218 1384289294 /nfs/dbraw/zinc/28/92/94/1384289294.db2.gz CGDGCMORJZUGAY-ZDUSSCGKSA-N 1 0 330.384 3.338 20 10 EGCDRO Nc1ccc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC001335728629 1388912707 /nfs/dbraw/zinc/91/27/07/1388912707.db2.gz BOAUZZBUVDBZGL-UHFFFAOYSA-N 1 0 344.503 3.066 20 10 EGCDRO COCCOc1ccc(N2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)cc1 ZINC001170764738 1384381819 /nfs/dbraw/zinc/38/18/19/1384381819.db2.gz LZVDEFKLAPHPAV-FNLKRUPLSA-N 1 0 344.499 3.268 20 10 EGCDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172837108 1384862203 /nfs/dbraw/zinc/86/22/03/1384862203.db2.gz FCFJBFHMFAPVII-DYZYQPBXSA-N 1 0 339.794 3.145 20 10 EGCDRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001172953152 1384889015 /nfs/dbraw/zinc/88/90/15/1384889015.db2.gz JGCOBARSYFXZDD-AWEZNQCLSA-N 1 0 334.460 3.357 20 10 EGCDRO CC[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(OCCOC)cc3)CC2)C1 ZINC001173293413 1384952870 /nfs/dbraw/zinc/95/28/70/1384952870.db2.gz LFDCTFSNFPFZKU-IEBWSBKVSA-N 1 0 332.488 3.413 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC001320121801 1386525502 /nfs/dbraw/zinc/52/55/02/1386525502.db2.gz CVXPPVGXEJDLDH-FRRDWIJNSA-N 1 0 328.378 3.475 20 10 EGCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001320131127 1386528979 /nfs/dbraw/zinc/52/89/79/1386528979.db2.gz CJGGVLMWGPETJF-JYJNAYRXSA-N 1 0 348.487 3.016 20 10 EGCDRO C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cc(Cl)ccc1O ZINC001320133041 1386530652 /nfs/dbraw/zinc/53/06/52/1386530652.db2.gz MSFDTLBXTMSMHO-LBPRGKRZSA-N 1 0 346.814 3.122 20 10 EGCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001320429155 1386607379 /nfs/dbraw/zinc/60/73/79/1386607379.db2.gz HZCUEFHPHPRHJC-QUCCMNQESA-N 1 0 330.472 3.498 20 10 EGCDRO CC(C)[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC001180130314 1386706384 /nfs/dbraw/zinc/70/63/84/1386706384.db2.gz HLXAQDISGOCKBJ-WGYRVSROSA-N 1 0 329.488 3.001 20 10 EGCDRO COc1ccc(N2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F ZINC001320753944 1386709619 /nfs/dbraw/zinc/70/96/19/1386709619.db2.gz MAINQFQJFYJZBC-UHFFFAOYSA-N 1 0 332.394 3.338 20 10 EGCDRO COC(=O)N1CCC(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001322072055 1387045532 /nfs/dbraw/zinc/04/55/32/1387045532.db2.gz AIEPQHGDPSRCHU-HIFRSBDPSA-N 1 0 332.444 3.317 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001329174528 1389004549 /nfs/dbraw/zinc/00/45/49/1389004549.db2.gz FYVNLISBQGULBK-JHGZYIKQSA-N 1 0 340.423 3.469 20 10 EGCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccn2C2CC2)N(C)C)cc1 ZINC001337792945 1389444980 /nfs/dbraw/zinc/44/49/80/1389444980.db2.gz VAHXTXBJWNKZRB-HXUWFJFHSA-N 1 0 326.488 3.282 20 10 EGCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC001338750545 1389751813 /nfs/dbraw/zinc/75/18/13/1389751813.db2.gz FLPYOFYGPUIIBY-IBGZPJMESA-N 1 0 342.458 3.367 20 10 EGCDRO C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1O ZINC001331451582 1389753377 /nfs/dbraw/zinc/75/33/77/1389753377.db2.gz WEJUEBZCVZFORW-GFCCVEGCSA-N 1 0 346.814 3.122 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3N(C)C)CC2)cc1 ZINC001340525756 1390305862 /nfs/dbraw/zinc/30/58/62/1390305862.db2.gz DNKQDSWLYMLIGE-WOJBJXKFSA-N 1 0 331.504 3.126 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1Cl ZINC001333906990 1390435200 /nfs/dbraw/zinc/43/52/00/1390435200.db2.gz DLKYHNFDRBYFEG-CJNGLKHVSA-N 1 0 335.835 3.097 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H](CC[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC001342740312 1390648134 /nfs/dbraw/zinc/64/81/34/1390648134.db2.gz RVVKUEWBLCVFDI-HNNXBMFYSA-N 1 0 329.419 3.044 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](OC)c2ccc(F)cc2)c(O)c1OC ZINC001335468411 1390687872 /nfs/dbraw/zinc/68/78/72/1390687872.db2.gz ZCRMUURRRKTJBR-INIZCTEOSA-N 1 0 335.375 3.026 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC001345143875 1390841094 /nfs/dbraw/zinc/84/10/94/1390841094.db2.gz ZAZZMNVWHNIBEY-HUUCEWRRSA-N 1 0 333.472 3.406 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCCC(F)(F)F)cc1C ZINC001752905499 1440243963 /nfs/dbraw/zinc/24/39/63/1440243963.db2.gz VUVAWTLAARYAMV-ZDUSSCGKSA-N 1 0 346.393 3.331 20 10 EGCDRO CC[C@@H](CNC(=O)C1(C)CC=CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753488249 1440418366 /nfs/dbraw/zinc/41/83/66/1440418366.db2.gz CSBFTMCSRSZTTN-KRWDZBQOSA-N 1 0 330.472 3.344 20 10 EGCDRO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C)C2CC2)C(C)C)cc1C ZINC001753827951 1440498905 /nfs/dbraw/zinc/49/89/05/1440498905.db2.gz ZPNIVUJOCWIONK-CRAIPNDOSA-N 1 0 332.488 3.280 20 10 EGCDRO C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCCC1 ZINC001755617250 1440889280 /nfs/dbraw/zinc/88/92/80/1440889280.db2.gz ACTDJZFCDSQHMC-ZDUSSCGKSA-N 1 0 345.447 3.089 20 10 EGCDRO C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593263691 994560235 /nfs/dbraw/zinc/56/02/35/994560235.db2.gz BFQITQSZALZTQZ-HNNXBMFYSA-N 1 0 334.460 3.397 20 10 EGCDRO COc1cc(C)cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1O ZINC000894969677 1126126186 /nfs/dbraw/zinc/12/61/86/1126126186.db2.gz PARXUHLWATYROA-SFHVURJKSA-N 1 0 329.440 3.019 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000280712174 456036254 /nfs/dbraw/zinc/03/62/54/456036254.db2.gz XGGGWKAPOTUQMJ-UHFFFAOYSA-N 1 0 338.249 3.230 20 10 EGCDRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000183308297 455275930 /nfs/dbraw/zinc/27/59/30/455275930.db2.gz YDTWHDVGAWKHFX-HNNXBMFYSA-N 1 0 342.439 3.155 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccccc1O ZINC000183378729 455285391 /nfs/dbraw/zinc/28/53/91/455285391.db2.gz PQQIXLZHHUOQTN-GDBMZVCRSA-N 1 0 332.469 3.178 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1O ZINC000183430837 455291686 /nfs/dbraw/zinc/29/16/86/455291686.db2.gz RERNRSGDWFRSRG-CQSZACIVSA-N 1 0 330.403 3.219 20 10 EGCDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N(C)C)cc1OC ZINC000183591623 455309630 /nfs/dbraw/zinc/30/96/30/455309630.db2.gz XGZMDCFAJOXBRR-RHSMWYFYSA-N 1 0 344.455 3.363 20 10 EGCDRO COc1ccc(N2CCC[N@H+](CCCOCC(F)(F)F)CC2)cc1 ZINC000053611753 453891122 /nfs/dbraw/zinc/89/11/22/453891122.db2.gz IVOGNHIGGPXUIJ-UHFFFAOYSA-N 1 0 346.393 3.176 20 10 EGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000190784725 455381964 /nfs/dbraw/zinc/38/19/64/455381964.db2.gz GDLDVIFOGSGGEY-UHFFFAOYSA-N 1 0 349.837 3.334 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)c1O ZINC000074314397 454561888 /nfs/dbraw/zinc/56/18/88/454561888.db2.gz WVOXGSFCKNXWLT-SFHVURJKSA-N 1 0 344.455 3.192 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000092481358 454572938 /nfs/dbraw/zinc/57/29/38/454572938.db2.gz GZCOMNDSCCBNIO-UHFFFAOYSA-N 1 0 345.487 3.297 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(O)c1 ZINC000092706440 454614370 /nfs/dbraw/zinc/61/43/70/454614370.db2.gz RRZPIAAMFAQTKL-INIZCTEOSA-N 1 0 348.487 3.165 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3c(C)nn(C)c3Cl)CC2)cc1 ZINC000066155626 454661130 /nfs/dbraw/zinc/66/11/30/454661130.db2.gz FSBXKQMYXAPBBG-UHFFFAOYSA-N 1 0 348.878 3.103 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000093842444 454740186 /nfs/dbraw/zinc/74/01/86/454740186.db2.gz VMGOXAYURUKDLI-IBGZPJMESA-N 1 0 349.471 3.341 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176598582 454762123 /nfs/dbraw/zinc/76/21/23/454762123.db2.gz OOWGEAMVZNDIMZ-HKUYNNGSSA-N 1 0 346.519 3.157 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000108928447 454816866 /nfs/dbraw/zinc/81/68/66/454816866.db2.gz DOFNOZGBKPAEKR-INIZCTEOSA-N 1 0 333.476 3.188 20 10 EGCDRO CCOc1ccc(-c2noc(CN(C)Cc3ccccc3O)n2)cc1 ZINC000109769704 454835838 /nfs/dbraw/zinc/83/58/38/454835838.db2.gz KYQLRJOLENGESZ-UHFFFAOYSA-N 1 0 339.395 3.473 20 10 EGCDRO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1O ZINC000109771284 454836208 /nfs/dbraw/zinc/83/62/08/454836208.db2.gz OHZUNJVENCOLDF-UONOGXRCSA-N 1 0 330.403 3.229 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000177578178 454879421 /nfs/dbraw/zinc/87/94/21/454879421.db2.gz HLXXLJLYYBFCQU-IAGOWNOFSA-N 1 0 340.471 3.092 20 10 EGCDRO CN1CCO[C@H]([C@H]([NH2+]Cc2ccccc2O)c2ccc(Cl)cc2)C1 ZINC000154338133 454886525 /nfs/dbraw/zinc/88/65/25/454886525.db2.gz QKWSCKNTBGEHQV-RBUKOAKNSA-N 1 0 346.858 3.207 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000112561337 454891203 /nfs/dbraw/zinc/89/12/03/454891203.db2.gz PULGZFKRRIXLEX-LJQANCHMSA-N 1 0 341.499 3.025 20 10 EGCDRO CCCNC(=O)C1([NH2+]Cc2cccc(OCC)c2O)CCCCC1 ZINC000154531483 454904579 /nfs/dbraw/zinc/90/45/79/454904579.db2.gz KMFRJCFRXMNSDY-UHFFFAOYSA-N 1 0 334.460 3.110 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000185063626 455495443 /nfs/dbraw/zinc/49/54/43/455495443.db2.gz ZJCHXNGZPFBHMO-HNNXBMFYSA-N 1 0 342.439 3.018 20 10 EGCDRO CN(C)c1ccc(C[N@H+](C)Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000155184717 454971756 /nfs/dbraw/zinc/97/17/56/454971756.db2.gz YDCQGFOXEQGYCB-UHFFFAOYSA-N 1 0 335.455 3.180 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@]2(O)CCc3ccccc32)ccc1OC ZINC000179005901 454998714 /nfs/dbraw/zinc/99/87/14/454998714.db2.gz FFULAKXDVXGYJM-OAQYLSRUSA-N 1 0 341.451 3.155 20 10 EGCDRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179563686 455058650 /nfs/dbraw/zinc/05/86/50/455058650.db2.gz WYINKAUJTHESQL-UHFFFAOYSA-N 1 0 343.402 3.317 20 10 EGCDRO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179563830 455058857 /nfs/dbraw/zinc/05/88/57/455058857.db2.gz MLSVORFDFQZZCH-UHFFFAOYSA-N 1 0 338.451 3.059 20 10 EGCDRO CCOC[C@@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179645393 455063835 /nfs/dbraw/zinc/06/38/35/455063835.db2.gz FVGQFASJMQBKLG-LPHOPBHVSA-N 1 0 329.440 3.353 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3nccn3C(F)F)CC2)cc1 ZINC000118990905 455119869 /nfs/dbraw/zinc/11/98/69/455119869.db2.gz PLGJVAYMUGGXRN-UHFFFAOYSA-N 1 0 336.386 3.045 20 10 EGCDRO CC[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1O ZINC000156524986 455128242 /nfs/dbraw/zinc/12/82/42/455128242.db2.gz BGQBLFOYZLDYAU-QGZVFWFLSA-N 1 0 330.403 3.392 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOC1 ZINC000130064234 455140303 /nfs/dbraw/zinc/14/03/03/455140303.db2.gz QNWIYANOYOWXSD-RBSFLKMASA-N 1 0 340.414 3.271 20 10 EGCDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cc(-c3ccccc3)ccc1O)CC2 ZINC000263997854 455179832 /nfs/dbraw/zinc/17/98/32/455179832.db2.gz FWYRGHGZOOHAJG-GOSISDBHSA-N 1 0 334.423 3.064 20 10 EGCDRO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(C)c1O ZINC000183373355 455284023 /nfs/dbraw/zinc/28/40/23/455284023.db2.gz NTUIRMFWDWJBJH-UHFFFAOYSA-N 1 0 328.412 3.170 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1O ZINC000183442395 455293662 /nfs/dbraw/zinc/29/36/62/455293662.db2.gz VIWDCOOQTBAHLU-CQSZACIVSA-N 1 0 344.430 3.343 20 10 EGCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000190427541 455314528 /nfs/dbraw/zinc/31/45/28/455314528.db2.gz JXRPSXSOPMFXFB-WMZOPIPTSA-N 1 0 329.444 3.235 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(C)CCCC[C@H]3O)CC2)cc1 ZINC000159199129 455360528 /nfs/dbraw/zinc/36/05/28/455360528.db2.gz XMNAIUHDZUGRNG-WOJBJXKFSA-N 1 0 332.488 3.195 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000184701519 455431270 /nfs/dbraw/zinc/43/12/70/455431270.db2.gz KDCPEJJHKKRRMI-CQSZACIVSA-N 1 0 335.835 3.297 20 10 EGCDRO COc1cc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc(OC)c1OC ZINC000184753686 455442874 /nfs/dbraw/zinc/44/28/74/455442874.db2.gz HRJGFTFBYBVTQY-MRXNPFEDSA-N 1 0 346.471 3.191 20 10 EGCDRO Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000160433137 455458193 /nfs/dbraw/zinc/45/81/93/455458193.db2.gz JEYUYGFYVPUFLF-HNNXBMFYSA-N 1 0 327.403 3.259 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184903910 455469695 /nfs/dbraw/zinc/46/96/95/455469695.db2.gz XXZZLWAOBGQFSR-FXAWDEMLSA-N 1 0 340.467 3.425 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1O ZINC000191712964 455511825 /nfs/dbraw/zinc/51/18/25/455511825.db2.gz LANNVQVLPGEHJL-FOIQADDNSA-N 1 0 329.440 3.120 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)c1cc(OC)cc(OC)c1)c1ccccc1O ZINC000185211689 455522611 /nfs/dbraw/zinc/52/26/11/455522611.db2.gz HNAIUMRBCCNOKR-PKOBYXMFSA-N 1 0 331.412 3.184 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836058 455524798 /nfs/dbraw/zinc/52/47/98/455524798.db2.gz USUNDLOVQRIQNW-IEBWSBKVSA-N 1 0 340.467 3.334 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000185231912 455525513 /nfs/dbraw/zinc/52/55/13/455525513.db2.gz RTQQIDIJINDKGK-AWEZNQCLSA-N 1 0 332.419 3.323 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000185375156 455550685 /nfs/dbraw/zinc/55/06/85/455550685.db2.gz DGYYCIHOZYAHKP-OLZOCXBDSA-N 1 0 337.366 3.069 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3[O-])CC2)nc(C)n1 ZINC000185654783 455590443 /nfs/dbraw/zinc/59/04/43/455590443.db2.gz FFGBYINOROYRGR-ZDUSSCGKSA-N 1 0 344.434 3.258 20 10 EGCDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Br)ccc1O ZINC000185735772 455610152 /nfs/dbraw/zinc/61/01/52/455610152.db2.gz ZNEDGXZPYOZQNG-GMXVVIOVSA-N 1 0 328.250 3.356 20 10 EGCDRO COc1ccc(N(C[C@H]2CCCS(=O)(=O)C2)[C@@H](C)C2CC2)cc1 ZINC000283966279 455617129 /nfs/dbraw/zinc/61/71/29/455617129.db2.gz FCHOORBUOAEHKV-LSDHHAIUSA-N 1 0 337.485 3.125 20 10 EGCDRO COc1cc(O)c(C[NH+]2CCC(c3ccncc3)CC2)cc1OC ZINC000277655225 455626317 /nfs/dbraw/zinc/62/63/17/455626317.db2.gz MIMRBZAKOXMIIW-UHFFFAOYSA-N 1 0 328.412 3.184 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c(O)c1 ZINC000284157973 455644276 /nfs/dbraw/zinc/64/42/76/455644276.db2.gz PPVKBMDHGJVWKN-INIZCTEOSA-N 1 0 341.455 3.091 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1 ZINC000186013455 455674412 /nfs/dbraw/zinc/67/44/12/455674412.db2.gz BHNCAUSHRMZBTE-AWEZNQCLSA-N 1 0 330.403 3.310 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000186022451 455677929 /nfs/dbraw/zinc/67/79/29/455677929.db2.gz VBCCCIVGYUQVAZ-CJNGLKHVSA-N 1 0 328.387 3.296 20 10 EGCDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000271541853 455678000 /nfs/dbraw/zinc/67/80/00/455678000.db2.gz YPMLCHXUTNWRBB-UZLBHIALSA-N 1 0 337.467 3.204 20 10 EGCDRO COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000284430473 455684103 /nfs/dbraw/zinc/68/41/03/455684103.db2.gz RWYPSAQFUDIXOE-UGSOOPFHSA-N 1 0 332.419 3.493 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)c1 ZINC000186061033 455686197 /nfs/dbraw/zinc/68/61/97/455686197.db2.gz ZKECCXVDPYSXKW-GFCCVEGCSA-N 1 0 343.402 3.320 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000268773604 455713140 /nfs/dbraw/zinc/71/31/40/455713140.db2.gz GBDQDHWGEIEIHF-UTKZUKDTSA-N 1 0 340.467 3.216 20 10 EGCDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813802 455714650 /nfs/dbraw/zinc/71/46/50/455714650.db2.gz FPEXOQACVVNVQB-GHTZIAJQSA-N 1 0 345.531 3.174 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2OCC(F)F)c1 ZINC000186199213 455715819 /nfs/dbraw/zinc/71/58/19/455715819.db2.gz SPBKSLHTUQRICN-NSHDSACASA-N 1 0 338.354 3.291 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000271684431 455722126 /nfs/dbraw/zinc/72/21/26/455722126.db2.gz JATLQLUFGVGTJS-LLVKDONJSA-N 1 0 332.356 3.168 20 10 EGCDRO CC[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000271753211 455746612 /nfs/dbraw/zinc/74/66/12/455746612.db2.gz XZKSWZOWNLHSON-QGZVFWFLSA-N 1 0 338.407 3.119 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc2ccccc2c1O ZINC000186375385 455755450 /nfs/dbraw/zinc/75/54/50/455755450.db2.gz PWEVNSUSAGNGRC-GDBMZVCRSA-N 1 0 343.423 3.118 20 10 EGCDRO CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(C[NH3+])cc1 ZINC000278123264 455763881 /nfs/dbraw/zinc/76/38/81/455763881.db2.gz BFTXBKFLAUREGR-UHFFFAOYSA-N 1 0 345.399 3.184 20 10 EGCDRO Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)ccc1N(C)C ZINC000293003634 455770508 /nfs/dbraw/zinc/77/05/08/455770508.db2.gz HAJLGEVABZZYNZ-GOSISDBHSA-N 1 0 331.504 3.045 20 10 EGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000186466337 455774410 /nfs/dbraw/zinc/77/44/10/455774410.db2.gz JLKZKKXMQHHNLQ-UKRRQHHQSA-N 1 0 328.412 3.427 20 10 EGCDRO Cc1cc(CN(C)Cc2nccn2CC(F)(F)F)ccc1N(C)C ZINC000293305681 455781175 /nfs/dbraw/zinc/78/11/75/455781175.db2.gz ZSQSWBMIVATPLA-UHFFFAOYSA-N 1 0 340.393 3.452 20 10 EGCDRO Cc1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)ccc1N(C)C ZINC000293347737 455783414 /nfs/dbraw/zinc/78/34/14/455783414.db2.gz DLUFJOIAFMMHFB-UHFFFAOYSA-N 1 0 343.515 3.286 20 10 EGCDRO CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccccc1O ZINC000293703008 455794391 /nfs/dbraw/zinc/79/43/91/455794391.db2.gz MFBRAVZUJBNSFW-IBGZPJMESA-N 1 0 326.440 3.470 20 10 EGCDRO OCC1([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc2)CCC1 ZINC000293939834 455801272 /nfs/dbraw/zinc/80/12/72/455801272.db2.gz OGBBBKMIUXTEFN-LJQANCHMSA-N 1 0 341.407 3.114 20 10 EGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c(O)c1 ZINC000285302449 455820835 /nfs/dbraw/zinc/82/08/35/455820835.db2.gz SCHAHCZKVAWNRH-HNNXBMFYSA-N 1 0 326.444 3.119 20 10 EGCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294669664 455823555 /nfs/dbraw/zinc/82/35/55/455823555.db2.gz ALRIYKSXQDNYQC-RCDICMHDSA-N 1 0 336.526 3.241 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c1O ZINC000294777147 455827232 /nfs/dbraw/zinc/82/72/32/455827232.db2.gz KSKAXHSGLGNGSH-UHFFFAOYSA-N 1 0 326.318 3.495 20 10 EGCDRO COC[C@H](O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294789934 455827904 /nfs/dbraw/zinc/82/79/04/455827904.db2.gz OFLDTFORBRXWNC-MJGOQNOKSA-N 1 0 329.440 3.053 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@@]3(C)CCO[C@@H]3C3CC3)cc2)CC1 ZINC000295070059 455837754 /nfs/dbraw/zinc/83/77/54/455837754.db2.gz WGTWQGRNWZNQQJ-RTWAWAEBSA-N 1 0 344.499 3.349 20 10 EGCDRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(O)cccc3Cl)nc2)C1 ZINC000269511766 455848892 /nfs/dbraw/zinc/84/88/92/455848892.db2.gz OQCAWMPUBZLXTP-AWEZNQCLSA-N 1 0 346.862 3.193 20 10 EGCDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295956690 455864110 /nfs/dbraw/zinc/86/41/10/455864110.db2.gz JALFMMAFTZQLPT-FQEVSTJZSA-N 1 0 332.488 3.039 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC(C)(C)OCCO)cc1 ZINC000296052231 455867333 /nfs/dbraw/zinc/86/73/33/455867333.db2.gz OSQTYROBCLTOSB-UHFFFAOYSA-N 1 0 348.512 3.262 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(C)cc1O ZINC000279923777 455878349 /nfs/dbraw/zinc/87/83/49/455878349.db2.gz AJISWWBKMKMVIP-NVXWUHKLSA-N 1 0 328.460 3.144 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccc(C)cc1O ZINC000279959358 455879210 /nfs/dbraw/zinc/87/92/10/455879210.db2.gz CEHMGLIYBCWBSA-KRWDZBQOSA-N 1 0 345.439 3.321 20 10 EGCDRO C[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296335460 455912244 /nfs/dbraw/zinc/91/22/44/455912244.db2.gz HNVLAWPPBVGCLD-CVEARBPZSA-N 1 0 331.504 3.427 20 10 EGCDRO Oc1ccc(F)cc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000272475097 455963267 /nfs/dbraw/zinc/96/32/67/455963267.db2.gz SENFGCAUSVRTTD-UHFFFAOYSA-N 1 0 337.398 3.496 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(Br)cc1O ZINC000188028411 455982786 /nfs/dbraw/zinc/98/27/86/455982786.db2.gz NMPRJMYYPSWRSQ-JTNHKYCSSA-N 1 0 328.250 3.356 20 10 EGCDRO CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000286328783 456025416 /nfs/dbraw/zinc/02/54/16/456025416.db2.gz XWKRFBBYGWGSIS-KBXCAEBGSA-N 1 0 336.451 3.073 20 10 EGCDRO CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000286328789 456025481 /nfs/dbraw/zinc/02/54/81/456025481.db2.gz XWKRFBBYGWGSIS-KDOFPFPSSA-N 1 0 336.451 3.073 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)ccn1 ZINC000280662180 456026155 /nfs/dbraw/zinc/02/61/55/456026155.db2.gz BSGCUJZRFAQPFA-UHFFFAOYSA-N 1 0 339.361 3.465 20 10 EGCDRO CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287306077 456066951 /nfs/dbraw/zinc/06/69/51/456066951.db2.gz CSEOUYIQQVABSP-CQSZACIVSA-N 1 0 347.286 3.196 20 10 EGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1F ZINC000271067456 456117903 /nfs/dbraw/zinc/11/79/03/456117903.db2.gz CVTWXSPQNMGZKQ-UHFFFAOYSA-N 1 0 341.430 3.155 20 10 EGCDRO COc1cccc(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)c1O ZINC000289383874 456123641 /nfs/dbraw/zinc/12/36/41/456123641.db2.gz CYCAAOXADXXMGU-UHFFFAOYSA-N 1 0 348.393 3.438 20 10 EGCDRO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1O ZINC000289649625 456135443 /nfs/dbraw/zinc/13/54/43/456135443.db2.gz MSVZSIUWBOWAKD-CEXWTWQISA-N 1 0 339.435 3.405 20 10 EGCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000289725789 456138212 /nfs/dbraw/zinc/13/82/12/456138212.db2.gz GLDKAMGOJPFKCZ-VQIMIIECSA-N 1 0 329.488 3.023 20 10 EGCDRO C[C@H]1C[C@H](CC[NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000273018778 456147826 /nfs/dbraw/zinc/14/78/26/456147826.db2.gz DHLUUSCBASOPEH-NWDGAFQWSA-N 1 0 328.250 3.450 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(O)c1 ZINC000289842861 456152596 /nfs/dbraw/zinc/15/25/96/456152596.db2.gz URFDHICOBAIFDZ-DZGCQCFKSA-N 1 0 347.377 3.174 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000273440184 456231370 /nfs/dbraw/zinc/23/13/70/456231370.db2.gz YGISTQKLZRFXFR-GFCCVEGCSA-N 1 0 334.460 3.139 20 10 EGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2O)o1 ZINC000273622713 456242618 /nfs/dbraw/zinc/24/26/18/456242618.db2.gz ZLQFHUOHDZXEJP-YGRLFVJLSA-N 1 0 340.217 3.440 20 10 EGCDRO COc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1O ZINC000274316484 456255328 /nfs/dbraw/zinc/25/53/28/456255328.db2.gz WMTCQEMKXXBJSV-CRAIPNDOSA-N 1 0 326.440 3.011 20 10 EGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c(F)cccc3F)c2)CC1 ZINC000274517825 456259981 /nfs/dbraw/zinc/25/99/81/456259981.db2.gz ZDWYMSVWQVOGNH-UHFFFAOYSA-N 1 0 345.393 3.359 20 10 EGCDRO Cc1cccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000275164784 456271152 /nfs/dbraw/zinc/27/11/52/456271152.db2.gz ZZUBSAXQQKCDQY-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2nncn2C)c1O ZINC000275270545 456271883 /nfs/dbraw/zinc/27/18/83/456271883.db2.gz BXGVFWFGQRMBCF-ZJUUUORDSA-N 1 0 339.237 3.003 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2nncn2C)c1O ZINC000275270543 456272392 /nfs/dbraw/zinc/27/23/92/456272392.db2.gz BXGVFWFGQRMBCF-VHSXEESVSA-N 1 0 339.237 3.003 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1 ZINC000275505075 456276516 /nfs/dbraw/zinc/27/65/16/456276516.db2.gz JVHPZRLFODGWLW-OALUTQOASA-N 1 0 342.487 3.276 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@@H]3CCc4cccc(O)c43)CC2)nc(C)n1 ZINC000297856763 456311658 /nfs/dbraw/zinc/31/16/58/456311658.db2.gz TWSUJMSAITXMFF-QGZVFWFLSA-N 1 0 338.455 3.045 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)c3ccccc3)CC2)cc1 ZINC000304062728 456499953 /nfs/dbraw/zinc/49/99/53/456499953.db2.gz QXAWTBVOUONOBL-OAQYLSRUSA-N 1 0 340.467 3.161 20 10 EGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CS1 ZINC000276826717 456592485 /nfs/dbraw/zinc/59/24/85/456592485.db2.gz BAXQBEDVZMHTQY-YJBOKZPZSA-N 1 0 338.492 3.282 20 10 EGCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cccc(Cl)c1[O-] ZINC000282924851 456666376 /nfs/dbraw/zinc/66/63/76/456666376.db2.gz FKSMEVZDTRTOFZ-UHFFFAOYSA-N 1 0 338.860 3.245 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc2ccccc2c1O ZINC000325762002 456686256 /nfs/dbraw/zinc/68/62/56/456686256.db2.gz BFBXSRBYXNVDJW-XIRDDKMYSA-N 1 0 326.440 3.059 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNc3cccc(F)n3)cc2F)CC1 ZINC000301179963 456815401 /nfs/dbraw/zinc/81/54/01/456815401.db2.gz HNYQZBHWHMDBEZ-UHFFFAOYSA-N 1 0 332.398 3.114 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1O ZINC000365665111 457768662 /nfs/dbraw/zinc/76/86/62/457768662.db2.gz OTRSQEXXBOGXKI-ZDUSSCGKSA-N 1 0 347.846 3.361 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217168 457800533 /nfs/dbraw/zinc/80/05/33/457800533.db2.gz DSFUMCUDNPSHFM-YYWHXJBOSA-N 1 0 343.515 3.191 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000371422670 457924497 /nfs/dbraw/zinc/92/44/97/457924497.db2.gz GVGLCYZCOACLPZ-ZFWWWQNUSA-N 1 0 340.414 3.414 20 10 EGCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375742455 458045981 /nfs/dbraw/zinc/04/59/81/458045981.db2.gz LPGWFUYNOGKJLI-GYCJOSAFSA-N 1 0 342.508 3.106 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000369100741 458081709 /nfs/dbraw/zinc/08/17/09/458081709.db2.gz RIQONPBJNBKWFP-LJQANCHMSA-N 1 0 342.487 3.202 20 10 EGCDRO CC[NH2+]CC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000418093474 458371753 /nfs/dbraw/zinc/37/17/53/458371753.db2.gz BZLUFDXUHDQHOT-UHFFFAOYSA-N 1 0 342.487 3.018 20 10 EGCDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758207 546569275 /nfs/dbraw/zinc/56/92/75/546569275.db2.gz QQIGPANKSMVYOR-UHFFFAOYSA-N 1 0 341.411 3.063 20 10 EGCDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727161167 574651996 /nfs/dbraw/zinc/65/19/96/574651996.db2.gz BKUIVAZKAMGAGG-MRXNPFEDSA-N 1 0 348.491 3.405 20 10 EGCDRO CC[NH+](CC)C[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000729681816 574878253 /nfs/dbraw/zinc/87/82/53/574878253.db2.gz KCCRWANAFHKIKE-INIZCTEOSA-N 1 0 348.491 3.405 20 10 EGCDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000731678410 575199418 /nfs/dbraw/zinc/19/94/18/575199418.db2.gz LZDFHIOLIFGKBM-IBGZPJMESA-N 1 0 341.411 3.018 20 10 EGCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2O)C1 ZINC000732457814 575270757 /nfs/dbraw/zinc/27/07/57/575270757.db2.gz ALUZRZQBVUSGOP-HNNXBMFYSA-N 1 0 333.476 3.092 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1F ZINC000733324501 575327750 /nfs/dbraw/zinc/32/77/50/575327750.db2.gz GEKALDQXLRBFNT-UHFFFAOYSA-N 1 0 335.467 3.018 20 10 EGCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1c(O)ccc3ccccc31)CC2 ZINC000733792149 575390088 /nfs/dbraw/zinc/39/00/88/575390088.db2.gz WMCXTRQLAXMVCG-QGZVFWFLSA-N 1 0 325.408 3.321 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000734471658 575496823 /nfs/dbraw/zinc/49/68/23/575496823.db2.gz SNUNRFUMNHUWTC-LJQANCHMSA-N 1 0 331.504 3.188 20 10 EGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000734522269 575507982 /nfs/dbraw/zinc/50/79/82/575507982.db2.gz MNBIHFROMBYMCS-UHFFFAOYSA-N 1 0 346.519 3.125 20 10 EGCDRO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Br)ccc1O ZINC000756615704 576159972 /nfs/dbraw/zinc/15/99/72/576159972.db2.gz FZUXMVVLFZJJBS-RYUDHWBXSA-N 1 0 327.266 3.290 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000741723389 576713727 /nfs/dbraw/zinc/71/37/27/576713727.db2.gz DIUAZDKRIOCQSH-AEFFLSMTSA-N 1 0 325.456 3.307 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000741752672 576717026 /nfs/dbraw/zinc/71/70/26/576717026.db2.gz DYFZKAFPJQQCHP-LJQANCHMSA-N 1 0 341.455 3.017 20 10 EGCDRO CCN(C)c1ccc(C[NH+]2CCN(c3nc(C)cs3)CC2)cc1 ZINC000741754689 576717535 /nfs/dbraw/zinc/71/75/35/576717535.db2.gz VIFZSQVNISKMFV-UHFFFAOYSA-N 1 0 330.501 3.230 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000742253424 576762790 /nfs/dbraw/zinc/76/27/90/576762790.db2.gz PSWXPSYIZNNPOY-GASCZTMLSA-N 1 0 335.467 3.161 20 10 EGCDRO COCc1nc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000742369833 576774834 /nfs/dbraw/zinc/77/48/34/576774834.db2.gz WPNUSTRIMHPAHU-UHFFFAOYSA-N 1 0 347.484 3.057 20 10 EGCDRO Cc1cccc(F)c1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000742379934 576776503 /nfs/dbraw/zinc/77/65/03/576776503.db2.gz DAOPRAXLYALPPF-UHFFFAOYSA-N 1 0 332.394 3.400 20 10 EGCDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743608469 576813102 /nfs/dbraw/zinc/81/31/02/576813102.db2.gz FMEPJJXQUANPNN-QGZVFWFLSA-N 1 0 346.475 3.159 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000745343525 576846187 /nfs/dbraw/zinc/84/61/87/576846187.db2.gz YALHYMJWHKDEBM-UHFFFAOYSA-N 1 0 346.519 3.159 20 10 EGCDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000877572945 1299407865 /nfs/dbraw/zinc/40/78/65/1299407865.db2.gz UWYNAPHDYNJUNU-PMACEKPBSA-N 1 0 344.499 3.037 20 10 EGCDRO CC[NH+](CC)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000042845659 1291446621 /nfs/dbraw/zinc/44/66/21/1291446621.db2.gz BYULGRSRWGQSRF-UHFFFAOYSA-N 1 0 346.519 3.160 20 10 EGCDRO COc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1C ZINC000047795007 1291584729 /nfs/dbraw/zinc/58/47/29/1291584729.db2.gz DYHKYQVWJCLYAT-LJQANCHMSA-N 1 0 338.451 3.457 20 10 EGCDRO [O-]c1c(Br)cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000048795126 1291619059 /nfs/dbraw/zinc/61/90/59/1291619059.db2.gz ZOCQHGBPSKDSBD-UHFFFAOYSA-N 1 0 327.266 3.120 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000066699527 1292127571 /nfs/dbraw/zinc/12/75/71/1292127571.db2.gz GXUFYADLCBDSJG-INIZCTEOSA-N 1 0 333.476 3.046 20 10 EGCDRO CCC[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccccc1O ZINC000069009874 1292227020 /nfs/dbraw/zinc/22/70/20/1292227020.db2.gz QWFXHPRRTAGJHV-UHFFFAOYSA-N 1 0 344.430 3.402 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)ccc1N1CCCCC1 ZINC000827963698 1292413356 /nfs/dbraw/zinc/41/33/56/1292413356.db2.gz SOAGTKNOAGWTTQ-KRWDZBQOSA-N 1 0 329.488 3.073 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000828144966 1292435643 /nfs/dbraw/zinc/43/56/43/1292435643.db2.gz QHMZHMNXAZPLDO-SFHVURJKSA-N 1 0 326.440 3.091 20 10 EGCDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000828569360 1292475523 /nfs/dbraw/zinc/47/55/23/1292475523.db2.gz NREJGTBUHXGSFT-MSOLQXFVSA-N 1 0 345.531 3.216 20 10 EGCDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC000828808035 1292502210 /nfs/dbraw/zinc/50/22/10/1292502210.db2.gz CVAQIFCZPKQGNU-GOSISDBHSA-N 1 0 330.472 3.417 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCOCC4(CCC4)C3)cc2)CC1 ZINC000828873746 1292509701 /nfs/dbraw/zinc/50/97/01/1292509701.db2.gz RRFOSWGBTARHBC-UHFFFAOYSA-N 1 0 344.499 3.304 20 10 EGCDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1=CC(=O)CS1 ZINC000830184892 1292680921 /nfs/dbraw/zinc/68/09/21/1292680921.db2.gz DJMPGZLDKIFDIQ-ZIAGYGMSSA-N 1 0 344.480 3.340 20 10 EGCDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000092150168 1292855391 /nfs/dbraw/zinc/85/53/91/1292855391.db2.gz LQLBVFUMUXOOAP-UHFFFAOYSA-N 1 0 328.431 3.337 20 10 EGCDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092401040 1292866011 /nfs/dbraw/zinc/86/60/11/1292866011.db2.gz UMBHCKJFYYCXCA-CVEARBPZSA-N 1 0 348.487 3.308 20 10 EGCDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000092587811 1292876948 /nfs/dbraw/zinc/87/69/48/1292876948.db2.gz FDOMHBRAJZYTPE-INIZCTEOSA-N 1 0 346.471 3.065 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1C ZINC000092789543 1292889698 /nfs/dbraw/zinc/88/96/98/1292889698.db2.gz HBENMVUADLJICT-UHFFFAOYSA-N 1 0 326.440 3.032 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000832266391 1292978207 /nfs/dbraw/zinc/97/82/07/1292978207.db2.gz FENDLAPTVSYCNJ-DLVXIWMQSA-N 1 0 343.515 3.475 20 10 EGCDRO CN(CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccccc1O ZINC000111235181 1293102346 /nfs/dbraw/zinc/10/23/46/1293102346.db2.gz FSTICWIRMJUNCC-UHFFFAOYSA-N 1 0 343.408 3.179 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](OC)C34CCC4)CC2)cc1 ZINC000834559042 1293117190 /nfs/dbraw/zinc/11/71/90/1293117190.db2.gz WWSIARLYUMCFKL-RBUKOAKNSA-N 1 0 330.472 3.211 20 10 EGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1(CN3CCOCC3)CCCCC1)CC2 ZINC000834615240 1293122915 /nfs/dbraw/zinc/12/29/15/1293122915.db2.gz CBPUCSOUQOSQRN-SFHVURJKSA-N 1 0 344.499 3.252 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc2ccccc2c1O ZINC000834851263 1293157786 /nfs/dbraw/zinc/15/77/86/1293157786.db2.gz WANUTPKDJVZUCV-WBVHZDCISA-N 1 0 328.456 3.043 20 10 EGCDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000834855926 1293157963 /nfs/dbraw/zinc/15/79/63/1293157963.db2.gz IBWGISUYDGGQAU-DOXZYTNZSA-N 1 0 338.467 3.374 20 10 EGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N2CCCCC2)c(F)c1 ZINC000834909459 1293172855 /nfs/dbraw/zinc/17/28/55/1293172855.db2.gz RSGQKSUYXWGSDR-AUUYWEPGSA-N 1 0 333.451 3.135 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c1 ZINC000120143367 1293306920 /nfs/dbraw/zinc/30/69/20/1293306920.db2.gz MPISSVWOIFYLEY-AWEZNQCLSA-N 1 0 332.419 3.323 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000122463164 1293413545 /nfs/dbraw/zinc/41/35/45/1293413545.db2.gz RRNGUZQBSQIGCJ-MRXNPFEDSA-N 1 0 346.496 3.013 20 10 EGCDRO Oc1cccc(Cl)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000122983518 1293430665 /nfs/dbraw/zinc/43/06/65/1293430665.db2.gz AFYZGNGBVXJOLB-CQSZACIVSA-N 1 0 325.836 3.206 20 10 EGCDRO CC[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(Br)ccc1O ZINC000148823934 1293885052 /nfs/dbraw/zinc/88/50/52/1293885052.db2.gz SSUYGHYMESMVRI-CQSZACIVSA-N 1 0 338.249 3.172 20 10 EGCDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(N(C)C)cc1 ZINC000151026095 1293903823 /nfs/dbraw/zinc/90/38/23/1293903823.db2.gz ABZLVJMJQBVJHT-IBGZPJMESA-N 1 0 325.456 3.353 20 10 EGCDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151405557 1293922705 /nfs/dbraw/zinc/92/27/05/1293922705.db2.gz LRGXSSZTRVFPJH-PXNSSMCTSA-N 1 0 334.504 3.361 20 10 EGCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000155964612 1294121010 /nfs/dbraw/zinc/12/10/10/1294121010.db2.gz VQBGNMBRCNYTTR-MSOLQXFVSA-N 1 0 345.531 3.374 20 10 EGCDRO C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155996048 1294122468 /nfs/dbraw/zinc/12/24/68/1294122468.db2.gz KTZFMQDFQYKGIT-KRWDZBQOSA-N 1 0 349.494 3.045 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(C)n1-c1cccc(C)c1 ZINC000158285211 1294201187 /nfs/dbraw/zinc/20/11/87/1294201187.db2.gz BOFIXNGYBFVUCL-NRFANRHFSA-N 1 0 337.467 3.228 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000158456788 1294205355 /nfs/dbraw/zinc/20/53/55/1294205355.db2.gz QRVVZTVPXVUQPP-OAHLLOKOSA-N 1 0 331.847 3.311 20 10 EGCDRO COc1cccc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)c1O ZINC000159405752 1294235390 /nfs/dbraw/zinc/23/53/90/1294235390.db2.gz DLGXIXMKSUKINY-UHFFFAOYSA-N 1 0 328.456 3.401 20 10 EGCDRO CN1CCCc2cc(CNC(=O)c3ccc(C[NH+](C)C)cc3)ccc21 ZINC000161606714 1294296742 /nfs/dbraw/zinc/29/67/42/1294296742.db2.gz HERMKALYHOYULW-UHFFFAOYSA-N 1 0 337.467 3.061 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCCC(=O)N2CCc3ccccc32)cc1C ZINC000174382426 1294497811 /nfs/dbraw/zinc/49/78/11/1294497811.db2.gz RSKQYJNWCYIAHX-UHFFFAOYSA-N 1 0 338.451 3.468 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3ccoc3)CC2)cc1 ZINC000178423334 1294733145 /nfs/dbraw/zinc/73/31/45/1294733145.db2.gz ATRCOSUSGWCYFU-QGZVFWFLSA-N 1 0 343.471 3.151 20 10 EGCDRO COc1cc(O)c(C[N@H+](C)CCOc2ccccc2C)cc1OC ZINC000179620673 1294807994 /nfs/dbraw/zinc/80/79/94/1294807994.db2.gz DIKSUJBPKTUBDK-UHFFFAOYSA-N 1 0 331.412 3.229 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cccc(SC)c2)c1 ZINC000182313221 1295034213 /nfs/dbraw/zinc/03/42/13/1295034213.db2.gz GIIMZTDEUMBTGO-GFCCVEGCSA-N 1 0 346.452 3.412 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(c3ccccc3)C(=O)O2)c1 ZINC000182466028 1295049784 /nfs/dbraw/zinc/04/97/84/1295049784.db2.gz HXOCLHMMLZOUNT-CJNGLKHVSA-N 1 0 342.395 3.077 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2OC)c1 ZINC000182465855 1295050579 /nfs/dbraw/zinc/05/05/79/1295050579.db2.gz ZGZAGZYNTWQIDH-CYBMUJFWSA-N 1 0 342.395 3.011 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccc1O ZINC000183555242 1295130373 /nfs/dbraw/zinc/13/03/73/1295130373.db2.gz WTEZKYZVBCPZBP-WMZOPIPTSA-N 1 0 338.451 3.277 20 10 EGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccccc1O ZINC000183627742 1295135456 /nfs/dbraw/zinc/13/54/56/1295135456.db2.gz YSSNJAQYTIBLFI-CABCVRRESA-N 1 0 333.453 3.295 20 10 EGCDRO CCN(CC[NH2+][C@H](C)c1cc(OC)ccc1O)C(=O)OC(C)(C)C ZINC000185315420 1295254231 /nfs/dbraw/zinc/25/42/31/1295254231.db2.gz MSORJZFNKHFNJP-CYBMUJFWSA-N 1 0 338.448 3.308 20 10 EGCDRO C[C@H]([NH2+]CCN1CCOCC1(C)C)c1ccc2ccccc2c1O ZINC000185333865 1295256586 /nfs/dbraw/zinc/25/65/86/1295256586.db2.gz BDIKFCOYZGSOQH-HNNXBMFYSA-N 1 0 328.456 3.307 20 10 EGCDRO C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000185523728 1295269464 /nfs/dbraw/zinc/26/94/64/1295269464.db2.gz XXRJPTJBGQJPOQ-HOTGVXAUSA-N 1 0 333.472 3.365 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1O ZINC000186785651 1295351339 /nfs/dbraw/zinc/35/13/39/1295351339.db2.gz QNGYXSDGPSVXIO-UMVBOHGHSA-N 1 0 328.250 3.499 20 10 EGCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000187992369 1295428442 /nfs/dbraw/zinc/42/84/42/1295428442.db2.gz NZIFTLXDGACTEZ-KRWDZBQOSA-N 1 0 345.439 3.099 20 10 EGCDRO COc1cc2c(cc1C[NH2+]Cc1cccc(OC)c1O)O[C@@H](C)C2 ZINC000237392091 1296239624 /nfs/dbraw/zinc/23/96/24/1296239624.db2.gz LLJOCHXNEZNGFR-LBPRGKRZSA-N 1 0 329.396 3.023 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000246985511 1296378322 /nfs/dbraw/zinc/37/83/22/1296378322.db2.gz HMEFGQNGHDYZIQ-HOTGVXAUSA-N 1 0 346.471 3.207 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1O ZINC000872128974 1296752541 /nfs/dbraw/zinc/75/25/41/1296752541.db2.gz PMMHFZDIXSAHGA-SWLSCSKDSA-N 1 0 335.831 3.308 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000310388730 1297094151 /nfs/dbraw/zinc/09/41/51/1297094151.db2.gz RCHKKKRTWHCKCX-BEFAXECRSA-N 1 0 326.440 3.153 20 10 EGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)CN(C)C(=O)OC(C)(C)C ZINC000310558536 1297095462 /nfs/dbraw/zinc/09/54/62/1297095462.db2.gz JCPGJZLITGRRKV-ZFWWWQNUSA-N 1 0 334.460 3.472 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000310388735 1297095907 /nfs/dbraw/zinc/09/59/07/1297095907.db2.gz RCHKKKRTWHCKCX-DNVCBOLYSA-N 1 0 326.440 3.153 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310563715 1297098358 /nfs/dbraw/zinc/09/83/58/1297098358.db2.gz KUUTXMUGUJJARP-GJZGRUSLSA-N 1 0 332.444 3.369 20 10 EGCDRO C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000325461846 1297225385 /nfs/dbraw/zinc/22/53/85/1297225385.db2.gz STSHARCPQZQGMH-KXBFYZLASA-N 1 0 325.456 3.047 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000326214269 1297234446 /nfs/dbraw/zinc/23/44/46/1297234446.db2.gz FQBJLZZQRAFJNT-LJQANCHMSA-N 1 0 325.456 3.110 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1Cn1cccn1 ZINC000873080542 1297264813 /nfs/dbraw/zinc/26/48/13/1297264813.db2.gz RITVRCWVPHPHLE-GOSISDBHSA-N 1 0 341.455 3.131 20 10 EGCDRO CCCOc1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1C ZINC000873128066 1297285936 /nfs/dbraw/zinc/28/59/36/1297285936.db2.gz BBYHCHKDPIIOJD-SFHVURJKSA-N 1 0 326.440 3.490 20 10 EGCDRO Cc1cc(C[NH2+][C@@H]2CCNC(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000873148348 1297300730 /nfs/dbraw/zinc/30/07/30/1297300730.db2.gz LPHDDVISCUJRPX-SFHVURJKSA-N 1 0 325.456 3.161 20 10 EGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(N)cc(F)c3)CC2)cc1 ZINC000873287742 1297410770 /nfs/dbraw/zinc/41/07/70/1297410770.db2.gz JONDWOJKVYOBFA-UHFFFAOYSA-N 1 0 329.419 3.175 20 10 EGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1O ZINC000873293596 1297416296 /nfs/dbraw/zinc/41/62/96/1297416296.db2.gz NMABMAUTDCMQLF-HIFRSBDPSA-N 1 0 338.879 3.163 20 10 EGCDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000382446402 1297559299 /nfs/dbraw/zinc/55/92/99/1297559299.db2.gz BASIOWNRINHSDK-RDJZCZTQSA-N 1 0 346.471 3.405 20 10 EGCDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874248290 1297833102 /nfs/dbraw/zinc/83/31/02/1297833102.db2.gz MKLGCIMJHDEWCS-UHFFFAOYSA-N 1 0 345.447 3.043 20 10 EGCDRO CO[C@@](C)(C[NH2+]Cc1ccc2c(c1)CCO2)COCc1ccccc1 ZINC000702785065 1298197774 /nfs/dbraw/zinc/19/77/74/1298197774.db2.gz ATADDAITHAYINN-NRFANRHFSA-N 1 0 341.451 3.333 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000706505001 1298221025 /nfs/dbraw/zinc/22/10/25/1298221025.db2.gz PHYWSCDNZUMJPY-OLZOCXBDSA-N 1 0 338.448 3.307 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000706846600 1298222978 /nfs/dbraw/zinc/22/29/78/1298222978.db2.gz MZRPFEIBZFMZEF-LBPRGKRZSA-N 1 0 334.213 3.248 20 10 EGCDRO COc1ccc(CC[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000706842394 1298224382 /nfs/dbraw/zinc/22/43/82/1298224382.db2.gz GGTYYYCBLWXOEE-UHFFFAOYSA-N 1 0 336.229 3.496 20 10 EGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCOc3ccc(F)cc31)OCO2 ZINC000725848929 1298373487 /nfs/dbraw/zinc/37/34/87/1298373487.db2.gz MGUHPBBGTMWSFR-CQSZACIVSA-N 1 0 331.343 3.264 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]CCc1nc3ccccc3s1)OCO2 ZINC000746405892 1298584134 /nfs/dbraw/zinc/58/41/34/1298584134.db2.gz UMPICSAYIDJQSZ-UHFFFAOYSA-N 1 0 328.393 3.063 20 10 EGCDRO CCOCc1cc(C[NH2+]CCN2CCc3ccccc32)ccc1OC ZINC000747853088 1298872903 /nfs/dbraw/zinc/87/29/03/1298872903.db2.gz YKMKUXAWXOTXLD-UHFFFAOYSA-N 1 0 340.467 3.384 20 10 EGCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000876736216 1298946641 /nfs/dbraw/zinc/94/66/41/1298946641.db2.gz UKYMWVKWALOHDW-GOEBONIOSA-N 1 0 334.460 3.436 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000876994768 1299105546 /nfs/dbraw/zinc/10/55/46/1299105546.db2.gz MSNYERYHUOOTDA-OAHLLOKOSA-N 1 0 334.460 3.437 20 10 EGCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3c(C)cccc3O)C2)c1 ZINC000877078758 1299149334 /nfs/dbraw/zinc/14/93/34/1299149334.db2.gz DABCSEWVCPFDIV-HNNXBMFYSA-N 1 0 342.439 3.086 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2c(C)cccc2O)c(O[C@H]2CCOC2)c1 ZINC000877087877 1299151873 /nfs/dbraw/zinc/15/18/73/1299151873.db2.gz VNMYCOOPDIGLOH-KRWDZBQOSA-N 1 0 327.424 3.467 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)c(O)c1 ZINC000877118789 1299164560 /nfs/dbraw/zinc/16/45/60/1299164560.db2.gz MYCPVMQZSKZQCQ-CQSZACIVSA-N 1 0 333.457 3.300 20 10 EGCDRO CN1CCCc2cc(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)ccc21 ZINC000749224176 1299169131 /nfs/dbraw/zinc/16/91/31/1299169131.db2.gz WXEMIJQWIDXOPZ-HXUWFJFHSA-N 1 0 341.499 3.092 20 10 EGCDRO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000749561853 1299236624 /nfs/dbraw/zinc/23/66/24/1299236624.db2.gz HMUKJFGSLLRPAT-IBGZPJMESA-N 1 0 331.504 3.366 20 10 EGCDRO CN(Cc1nc(Cl)cs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000877341976 1299251987 /nfs/dbraw/zinc/25/19/87/1299251987.db2.gz IJBPDHPNPWHIPS-UHFFFAOYSA-N 1 0 325.865 3.373 20 10 EGCDRO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)c(O)c1 ZINC000877503480 1299352474 /nfs/dbraw/zinc/35/24/74/1299352474.db2.gz NLJUBRMTPBKLAA-IBGZPJMESA-N 1 0 338.451 3.024 20 10 EGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000877574161 1299408930 /nfs/dbraw/zinc/40/89/30/1299408930.db2.gz BTCIHXKJEXPMFR-GJZGRUSLSA-N 1 0 334.460 3.484 20 10 EGCDRO Cc1ccc(C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c(O)c1 ZINC000877603721 1299424958 /nfs/dbraw/zinc/42/49/58/1299424958.db2.gz TYOQRYDEAHPQBR-UHFFFAOYSA-N 1 0 349.471 3.413 20 10 EGCDRO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)C1(F)F ZINC000877651645 1299456762 /nfs/dbraw/zinc/45/67/62/1299456762.db2.gz ZKHYAWJPGSAUNU-GASCZTMLSA-N 1 0 338.442 3.371 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)c1ccccc1O ZINC000877755692 1299530682 /nfs/dbraw/zinc/53/06/82/1299530682.db2.gz LRIJCBPPZCTIMZ-JKSUJKDBSA-N 1 0 326.440 3.468 20 10 EGCDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H](C)c1ccccc1O ZINC000877756256 1299533049 /nfs/dbraw/zinc/53/30/49/1299533049.db2.gz CFWOCPBSPYYMBV-SNVBAGLBSA-N 1 0 343.349 3.226 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2cc(OC)ccc2OC)c1O ZINC000877834177 1299601854 /nfs/dbraw/zinc/60/18/54/1299601854.db2.gz ZJXOQFNROBNNKG-ORAYPTAESA-N 1 0 345.439 3.184 20 10 EGCDRO Cc1cc(O)c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1Cl ZINC000877844040 1299606956 /nfs/dbraw/zinc/60/69/56/1299606956.db2.gz XSSAWBOTHKNBER-AWEZNQCLSA-N 1 0 327.775 3.200 20 10 EGCDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753553615 1299971461 /nfs/dbraw/zinc/97/14/61/1299971461.db2.gz YOOLBELOIRKSAG-MRXNPFEDSA-N 1 0 349.434 3.482 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)ncn1 ZINC000753570404 1299977000 /nfs/dbraw/zinc/97/70/00/1299977000.db2.gz KQWRYFJEJPLDCP-UHFFFAOYSA-N 1 0 335.407 3.359 20 10 EGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCO1 ZINC000753660223 1300002100 /nfs/dbraw/zinc/00/21/00/1300002100.db2.gz ZHWNZQAXLDCVHX-CXAGYDPISA-N 1 0 340.414 3.414 20 10 EGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000754737833 1300205345 /nfs/dbraw/zinc/20/53/45/1300205345.db2.gz VOEPJCRQGIULGH-INIZCTEOSA-N 1 0 334.460 3.450 20 10 EGCDRO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000754863073 1300232762 /nfs/dbraw/zinc/23/27/62/1300232762.db2.gz PTLQWLWFKOHSAL-HTJTXACHSA-N 1 0 325.408 3.353 20 10 EGCDRO COCC(C)(C)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000755194991 1300297575 /nfs/dbraw/zinc/29/75/75/1300297575.db2.gz MTEDXEOWCYWAJA-GJZGRUSLSA-N 1 0 338.467 3.202 20 10 EGCDRO CCN(CC[NH2+]Cc1ccc(N(C)C)c(F)c1)CCC(F)(F)F ZINC000755219306 1300302402 /nfs/dbraw/zinc/30/24/02/1300302402.db2.gz HZUOCHOCWWPZRN-UHFFFAOYSA-N 1 0 335.389 3.256 20 10 EGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCO1 ZINC000756133762 1300444049 /nfs/dbraw/zinc/44/40/49/1300444049.db2.gz FMKYHCGFSDOQQR-GOSISDBHSA-N 1 0 333.432 3.244 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756442209 1300492761 /nfs/dbraw/zinc/49/27/61/1300492761.db2.gz CPDXLCCTIKNQAZ-INIZCTEOSA-N 1 0 326.440 3.398 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756461391 1300497100 /nfs/dbraw/zinc/49/71/00/1300497100.db2.gz SGSNOYQXKCIMBP-CZUORRHYSA-N 1 0 342.414 3.408 20 10 EGCDRO CNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756465843 1300498496 /nfs/dbraw/zinc/49/84/96/1300498496.db2.gz MDOGOJMPKNMDGR-IAQYHMDHSA-N 1 0 328.387 3.229 20 10 EGCDRO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2)c1 ZINC000756538689 1300517564 /nfs/dbraw/zinc/51/75/64/1300517564.db2.gz FABPPKXGVZXCCI-DZGCQCFKSA-N 1 0 330.403 3.469 20 10 EGCDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000756582371 1300526778 /nfs/dbraw/zinc/52/67/78/1300526778.db2.gz HXXPHIWERRPGPO-AAEUAGOBSA-N 1 0 344.249 3.001 20 10 EGCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C2 ZINC000756774950 1300564369 /nfs/dbraw/zinc/56/43/69/1300564369.db2.gz MPRQQQZXHYWTLY-MFKMUULPSA-N 1 0 335.350 3.333 20 10 EGCDRO OC[C@H](CC(F)(F)F)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000756993757 1300606973 /nfs/dbraw/zinc/60/69/73/1300606973.db2.gz FTQMMOCFWKDTJP-HNNXBMFYSA-N 1 0 325.330 3.462 20 10 EGCDRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648482 1300647299 /nfs/dbraw/zinc/64/72/99/1300647299.db2.gz QVRUTPHVJMIWAV-OLZOCXBDSA-N 1 0 326.396 3.273 20 10 EGCDRO CCC[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000757851066 1300746948 /nfs/dbraw/zinc/74/69/48/1300746948.db2.gz ZMRHBMQYFDFDRL-QGZVFWFLSA-N 1 0 331.504 3.223 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000758578199 1300916368 /nfs/dbraw/zinc/91/63/68/1300916368.db2.gz BSMFZNIXKQMQBP-UXHICEINSA-N 1 0 329.415 3.395 20 10 EGCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000758704345 1300940506 /nfs/dbraw/zinc/94/05/06/1300940506.db2.gz YLMZVVHZEVGWGK-SFHVURJKSA-N 1 0 346.519 3.206 20 10 EGCDRO COc1cccc(O)c1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000759281541 1301057156 /nfs/dbraw/zinc/05/71/56/1301057156.db2.gz IQBNOPKRZRYJCQ-UHFFFAOYSA-N 1 0 341.436 3.252 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)NCC(F)(F)F)cc1 ZINC000759643263 1301134784 /nfs/dbraw/zinc/13/47/84/1301134784.db2.gz LUKBNOGAGIWTRH-CYBMUJFWSA-N 1 0 345.409 3.032 20 10 EGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000759837870 1301173198 /nfs/dbraw/zinc/17/31/98/1301173198.db2.gz VCEQMLLMJJYBNA-WBVHZDCISA-N 1 0 347.459 3.490 20 10 EGCDRO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000760041269 1301212418 /nfs/dbraw/zinc/21/24/18/1301212418.db2.gz XRGAMWSGMLXWCI-JSGCOSHPSA-N 1 0 330.394 3.483 20 10 EGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761215654 1301421824 /nfs/dbraw/zinc/42/18/24/1301421824.db2.gz LBVPQAVMXZWLOB-CQSZACIVSA-N 1 0 339.819 3.385 20 10 EGCDRO COc1ccc(N(C)Cc2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000761222293 1301423182 /nfs/dbraw/zinc/42/31/82/1301423182.db2.gz OSLDMEBHMYTYAL-UHFFFAOYSA-N 1 0 344.455 3.281 20 10 EGCDRO CN(Cc1ccc2c(c1)OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222727 1301423326 /nfs/dbraw/zinc/42/33/26/1301423326.db2.gz VAVXGHACFNXVMJ-UHFFFAOYSA-N 1 0 342.439 3.035 20 10 EGCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000761225398 1301424016 /nfs/dbraw/zinc/42/40/16/1301424016.db2.gz GSGFBRKKLOXEPJ-LJQANCHMSA-N 1 0 340.467 3.497 20 10 EGCDRO Clc1cnc(OCC[NH2+]Cc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000761976272 1301581411 /nfs/dbraw/zinc/58/14/11/1301581411.db2.gz MPMRSKFXHUOQQV-UHFFFAOYSA-N 1 0 339.222 3.492 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000762611936 1301712726 /nfs/dbraw/zinc/71/27/26/1301712726.db2.gz DNMPDTJKJAUHHV-KBMXLJTQSA-N 1 0 325.499 3.260 20 10 EGCDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccncc2)ccc1N1CCCCC1 ZINC000763455969 1301908960 /nfs/dbraw/zinc/90/89/60/1301908960.db2.gz VKCHKWVPSUIUAS-UHFFFAOYSA-N 1 0 340.427 3.312 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCCOCC(F)(F)F)CC2)cc1 ZINC000764884009 1302158662 /nfs/dbraw/zinc/15/86/62/1302158662.db2.gz UJLXESDZRDCYMX-UHFFFAOYSA-N 1 0 346.393 3.223 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CN3CCC[C@@H](C)C3)CC2)cc1 ZINC000765302148 1302241852 /nfs/dbraw/zinc/24/18/52/1302241852.db2.gz VMTUFVLCZNACJW-MSOLQXFVSA-N 1 0 345.531 3.374 20 10 EGCDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765328792 1302246615 /nfs/dbraw/zinc/24/66/15/1302246615.db2.gz YBORQTIZOFJECW-XLIONFOSSA-N 1 0 342.483 3.460 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCOc3ccc(F)cc3)CC2)cc1 ZINC000765334108 1302248315 /nfs/dbraw/zinc/24/83/15/1302248315.db2.gz KCGPYNNIQHMTHS-UHFFFAOYSA-N 1 0 344.430 3.472 20 10 EGCDRO C[C@H](CC[NH+](C)C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765450909 1302266216 /nfs/dbraw/zinc/26/62/16/1302266216.db2.gz SEYCILYUIRTIRW-HUUCEWRRSA-N 1 0 339.911 3.167 20 10 EGCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000765877666 1302343190 /nfs/dbraw/zinc/34/31/90/1302343190.db2.gz DVQVCSIWXBXIMP-HNNXBMFYSA-N 1 0 337.483 3.409 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000765972595 1302358867 /nfs/dbraw/zinc/35/88/67/1302358867.db2.gz BHKMASPBELXFHU-OXJNMPFZSA-N 1 0 331.504 3.047 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccccc1O ZINC000883286557 1302365640 /nfs/dbraw/zinc/36/56/40/1302365640.db2.gz WBMLVVRJQRTOIO-QGZVFWFLSA-N 1 0 325.412 3.163 20 10 EGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(C)C ZINC000766365452 1302439616 /nfs/dbraw/zinc/43/96/16/1302439616.db2.gz FWSLVBKZXDWDMX-RDTXWAMCSA-N 1 0 340.895 3.498 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000766436635 1302452540 /nfs/dbraw/zinc/45/25/40/1302452540.db2.gz KRCDERHPABEUPP-YOEHRIQHSA-N 1 0 333.451 3.087 20 10 EGCDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CN1c1ccc(Cl)c(F)c1 ZINC000766492712 1302462627 /nfs/dbraw/zinc/46/26/27/1302462627.db2.gz VJVPPPXGPIGZFX-LBPRGKRZSA-N 1 0 334.778 3.080 20 10 EGCDRO CCCC[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768139118 1302832969 /nfs/dbraw/zinc/83/29/69/1302832969.db2.gz AXDYCMZYCCGTFP-UHFFFAOYSA-N 1 0 335.448 3.180 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000768145200 1302836083 /nfs/dbraw/zinc/83/60/83/1302836083.db2.gz YHQTZVBALKSMCC-TWGQIWQCSA-N 1 0 338.451 3.232 20 10 EGCDRO CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(O)c1 ZINC000768161263 1302839877 /nfs/dbraw/zinc/83/98/77/1302839877.db2.gz VRTSUPHCBNQWFB-UHFFFAOYSA-N 1 0 343.423 3.366 20 10 EGCDRO CCOc1cccc(C[N@H+](CC)C[C@@H]2COc3ccccc3O2)c1O ZINC000768179653 1302846397 /nfs/dbraw/zinc/84/63/97/1302846397.db2.gz JPPFSAZIXIXMGW-MRXNPFEDSA-N 1 0 343.423 3.453 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2c[nH]c(C(=O)OC)c2)cc1 ZINC000768209020 1302854963 /nfs/dbraw/zinc/85/49/63/1302854963.db2.gz XCPRUMKKQYIHOM-UHFFFAOYSA-N 1 0 329.444 3.280 20 10 EGCDRO CCOc1ccc(C[NH+]2CCN(Cc3ccsc3)CC2)c(O)c1 ZINC000768208954 1302855283 /nfs/dbraw/zinc/85/52/83/1302855283.db2.gz WKZMVWBCGOAZEC-UHFFFAOYSA-N 1 0 332.469 3.170 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000768417982 1302898036 /nfs/dbraw/zinc/89/80/36/1302898036.db2.gz ROASQQDINXXMBE-UHFFFAOYSA-N 1 0 346.434 3.171 20 10 EGCDRO COc1cc(C[NH+]2CCN(Cc3ccsc3)CC2)c(O)cc1C ZINC000768441423 1302903151 /nfs/dbraw/zinc/90/31/51/1302903151.db2.gz HQJIUBUDIFNYGN-UHFFFAOYSA-N 1 0 332.469 3.089 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)[C@H](O)CO2 ZINC000768442594 1302904202 /nfs/dbraw/zinc/90/42/02/1302904202.db2.gz MGNMDXSPRNZKSL-SJLPKXTDSA-N 1 0 329.371 3.294 20 10 EGCDRO Oc1cc2c(cc1C[N@H+](CCc1ccc(F)cc1)C1CC1)[C@@H](O)CO2 ZINC000768448680 1302910166 /nfs/dbraw/zinc/91/01/66/1302910166.db2.gz VIIMFFXNHSTEDD-IBGZPJMESA-N 1 0 343.398 3.164 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC[C@@H]1c1ccccc1 ZINC000768466457 1302913714 /nfs/dbraw/zinc/91/37/14/1302913714.db2.gz QKHGZTJTLHBBHQ-LIVBEALHSA-N 1 0 339.435 3.444 20 10 EGCDRO CCOc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c(O)c1 ZINC000769423379 1303110259 /nfs/dbraw/zinc/11/02/59/1303110259.db2.gz HTPQRCYZESHSAR-IBGZPJMESA-N 1 0 327.424 3.273 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c1 ZINC000769498083 1303127117 /nfs/dbraw/zinc/12/71/17/1303127117.db2.gz FIZKFMDQZJSZEN-IRXDYDNUSA-N 1 0 334.460 3.012 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C ZINC000769514564 1303133312 /nfs/dbraw/zinc/13/33/12/1303133312.db2.gz JMCWWNSIHWGKOR-RDTXWAMCSA-N 1 0 325.408 3.300 20 10 EGCDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccccc2O)C2CC2)C1 ZINC000770506171 1303278665 /nfs/dbraw/zinc/27/86/65/1303278665.db2.gz WNOZNMZSIFZZKU-MRXNPFEDSA-N 1 0 332.444 3.366 20 10 EGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CC12CCC2 ZINC000771067251 1303355841 /nfs/dbraw/zinc/35/58/41/1303355841.db2.gz UPPLAMNDZKFVBL-CVEARBPZSA-N 1 0 348.874 3.316 20 10 EGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@@H](C)C1 ZINC000886749441 1303582951 /nfs/dbraw/zinc/58/29/51/1303582951.db2.gz SOOSJNSGJNEKHM-GQIGUUNPSA-N 1 0 343.515 3.303 20 10 EGCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747383 1303583118 /nfs/dbraw/zinc/58/31/18/1303583118.db2.gz RUWOLSRRAMVLRL-IGOJGBNBSA-N 1 0 343.515 3.303 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000772983783 1303601770 /nfs/dbraw/zinc/60/17/70/1303601770.db2.gz LYCGZCQWGIETHJ-GFCCVEGCSA-N 1 0 326.396 3.136 20 10 EGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000773329234 1303663230 /nfs/dbraw/zinc/66/32/30/1303663230.db2.gz ZNDXODXDDPSTRO-FQEVSTJZSA-N 1 0 342.439 3.352 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(Oc3ncccc3F)CC2)c1O ZINC000773352569 1303666825 /nfs/dbraw/zinc/66/68/25/1303666825.db2.gz VOTFUJMOOGPXKO-UHFFFAOYSA-N 1 0 346.402 3.287 20 10 EGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)c1O ZINC000774832149 1303864320 /nfs/dbraw/zinc/86/43/20/1303864320.db2.gz JMTFUZOWBOHXHU-GWCFXTLKSA-N 1 0 344.249 3.068 20 10 EGCDRO COc1c(O)c(C[NH2+][C@H](c2ncc(C)s2)C2CC2)ccc1[N+](=O)[O-] ZINC000775024618 1303890766 /nfs/dbraw/zinc/89/07/66/1303890766.db2.gz RBOSMMKIHFFGCC-ZDUSSCGKSA-N 1 0 349.412 3.315 20 10 EGCDRO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775137367 1303914979 /nfs/dbraw/zinc/91/49/79/1303914979.db2.gz TZFUAAPMABPEFD-BMIGLBTASA-N 1 0 349.228 3.032 20 10 EGCDRO COc1cc2[nH]c(NCc3ccc(N(C)C)c(F)c3)[nH+]c2cc1OC ZINC000775191728 1303922752 /nfs/dbraw/zinc/92/27/52/1303922752.db2.gz KGPBKXPIWSPQRE-UHFFFAOYSA-N 1 0 344.390 3.397 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000775371447 1303948544 /nfs/dbraw/zinc/94/85/44/1303948544.db2.gz XYFVSCUHEJTXIW-CABCVRRESA-N 1 0 342.439 3.271 20 10 EGCDRO COc1cccc(O)c1C[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000775373861 1303948985 /nfs/dbraw/zinc/94/89/85/1303948985.db2.gz DHXPGPRLAUTMAG-LJQANCHMSA-N 1 0 340.467 3.401 20 10 EGCDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775830176 1304045357 /nfs/dbraw/zinc/04/53/57/1304045357.db2.gz FFTQMUYRFWEOQS-AWEZNQCLSA-N 1 0 329.419 3.489 20 10 EGCDRO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830629 1304045686 /nfs/dbraw/zinc/04/56/86/1304045686.db2.gz LFZAPGAZOQEDIA-AWEZNQCLSA-N 1 0 331.485 3.090 20 10 EGCDRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000775833850 1304047067 /nfs/dbraw/zinc/04/70/67/1304047067.db2.gz GLUBFQUDSDIPCD-HNAYVOBHSA-N 1 0 346.446 3.120 20 10 EGCDRO C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775835787 1304047651 /nfs/dbraw/zinc/04/76/51/1304047651.db2.gz JKSUPFFOTBZGAH-INIZCTEOSA-N 1 0 331.504 3.442 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(N2CCCCC2)cc1 ZINC000776172623 1304106064 /nfs/dbraw/zinc/10/60/64/1304106064.db2.gz RLMCOJSFJCWNJF-MRXNPFEDSA-N 1 0 339.487 3.384 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000776222290 1304116889 /nfs/dbraw/zinc/11/68/89/1304116889.db2.gz BFZJYRZNSVHFRA-SMDDNHRTSA-N 1 0 327.266 3.035 20 10 EGCDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(O)c1O ZINC000776596857 1304178315 /nfs/dbraw/zinc/17/83/15/1304178315.db2.gz LOVRDGUBMFNWOA-UHFFFAOYSA-N 1 0 332.444 3.016 20 10 EGCDRO C[C@@H](CCCCO)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000779074513 1304527029 /nfs/dbraw/zinc/52/70/29/1304527029.db2.gz QVQWQPOIIZAFID-LSDHHAIUSA-N 1 0 342.430 3.398 20 10 EGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000779603751 1304586138 /nfs/dbraw/zinc/58/61/38/1304586138.db2.gz APFNYQXYCKZYIC-LBPRGKRZSA-N 1 0 325.836 3.457 20 10 EGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000779642176 1304590540 /nfs/dbraw/zinc/59/05/40/1304590540.db2.gz NNLCIRQEYVBQMA-QWFCFKBJSA-N 1 0 343.515 3.447 20 10 EGCDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000780593549 1304713909 /nfs/dbraw/zinc/71/39/09/1304713909.db2.gz HHNZLFIDBSKCCT-FPOVZHCZSA-N 1 0 346.515 3.333 20 10 EGCDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000780892801 1304748807 /nfs/dbraw/zinc/74/88/07/1304748807.db2.gz KMPSNZLZNJCSTJ-HNNXBMFYSA-N 1 0 329.419 3.250 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1O ZINC000780891997 1304748944 /nfs/dbraw/zinc/74/89/44/1304748944.db2.gz FZZWCBQKKDTMIT-RYUDHWBXSA-N 1 0 328.250 3.056 20 10 EGCDRO Cc1cscc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253369 1305000023 /nfs/dbraw/zinc/00/00/23/1305000023.db2.gz RRTQUJMNVXLRJE-QGZVFWFLSA-N 1 0 331.485 3.155 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)c(OC)c1 ZINC000891478525 1305062561 /nfs/dbraw/zinc/06/25/61/1305062561.db2.gz ZHIONQXFEAICJL-UHFFFAOYSA-N 1 0 347.411 3.059 20 10 EGCDRO COC1CCN(C2(C[NH2+][C@H](C)c3ccccc3O)CCCC2)CC1 ZINC000783510689 1305101392 /nfs/dbraw/zinc/10/13/92/1305101392.db2.gz ROUGFNHADBBFMS-MRXNPFEDSA-N 1 0 332.488 3.466 20 10 EGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C2)cc1 ZINC000784509417 1305252744 /nfs/dbraw/zinc/25/27/44/1305252744.db2.gz GPSARYGDPQRGCG-KRWDZBQOSA-N 1 0 331.504 3.079 20 10 EGCDRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000784620013 1305265596 /nfs/dbraw/zinc/26/55/96/1305265596.db2.gz BOGBGRPBZCKYBV-SFHVURJKSA-N 1 0 345.464 3.116 20 10 EGCDRO COc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c1O ZINC000785561553 1305379220 /nfs/dbraw/zinc/37/92/20/1305379220.db2.gz XEGCBLAOIBKJPD-HNAYVOBHSA-N 1 0 328.456 3.490 20 10 EGCDRO COc1ccc(C[NH2+]CCc2ccc(Cl)s2)c(O)c1OC ZINC000892606827 1305467776 /nfs/dbraw/zinc/46/77/76/1305467776.db2.gz DVPANTWTMCWUEW-UHFFFAOYSA-N 1 0 327.833 3.457 20 10 EGCDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000785989157 1305486387 /nfs/dbraw/zinc/48/63/87/1305486387.db2.gz SQEQGGNJYMOJAS-GYSYKLTISA-N 1 0 328.250 3.136 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785987221 1305486768 /nfs/dbraw/zinc/48/67/68/1305486768.db2.gz GQBVUPCUTZXUSC-ITDIGPHOSA-N 1 0 342.277 3.444 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC000787302517 1305729812 /nfs/dbraw/zinc/72/98/12/1305729812.db2.gz JDIUGWHDUTWJDW-SFHVURJKSA-N 1 0 345.531 3.218 20 10 EGCDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000787424165 1305742894 /nfs/dbraw/zinc/74/28/94/1305742894.db2.gz PJYIJRNJEOWANP-HXUWFJFHSA-N 1 0 344.430 3.112 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ncc(C)c(OC)c2C)c(O)c1OC ZINC000893544015 1305962861 /nfs/dbraw/zinc/96/28/61/1305962861.db2.gz ZBJZNYWYSHGIFR-UHFFFAOYSA-N 1 0 346.427 3.062 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1O ZINC000893962622 1306149987 /nfs/dbraw/zinc/14/99/87/1306149987.db2.gz PBTFRMNKRXIMFM-ZDUSSCGKSA-N 1 0 333.350 3.253 20 10 EGCDRO CC(C)N1CCC[C@H]([N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1=O ZINC000790266848 1306286509 /nfs/dbraw/zinc/28/65/09/1306286509.db2.gz QSUNMHGKKMHULO-IBGZPJMESA-N 1 0 331.504 3.362 20 10 EGCDRO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC2(CCOCC2)O1 ZINC000790384521 1306313485 /nfs/dbraw/zinc/31/34/85/1306313485.db2.gz FCRPYCDVZOIFLO-AWEZNQCLSA-N 1 0 349.471 3.165 20 10 EGCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc3c(cc1O)CCCC3)C[C@@H](C)O2 ZINC000790401176 1306317118 /nfs/dbraw/zinc/31/71/18/1306317118.db2.gz KDTVEOHZTCYEOR-SIFCLUCFSA-N 1 0 331.456 3.039 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(O)c1OC ZINC000894296872 1306328211 /nfs/dbraw/zinc/32/82/11/1306328211.db2.gz WJPNOKAKBZVDFN-SWLSCSKDSA-N 1 0 346.254 3.425 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000790620117 1306364112 /nfs/dbraw/zinc/36/41/12/1306364112.db2.gz WACPZYZPNLMGSI-UHFFFAOYSA-N 1 0 346.228 3.363 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C)nc2N2CCCC2)c1O ZINC000894433761 1308880604 /nfs/dbraw/zinc/88/06/04/1308880604.db2.gz BQNKWFNWROBCJK-UHFFFAOYSA-N 1 0 341.455 3.303 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000894562711 1308953959 /nfs/dbraw/zinc/95/39/59/1308953959.db2.gz XKSOIDYYCJGXTF-XLIONFOSSA-N 1 0 345.414 3.104 20 10 EGCDRO COc1cc(C)cc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1O ZINC000894883443 1309114145 /nfs/dbraw/zinc/11/41/45/1309114145.db2.gz XNAJOGSPXYERTK-UHFFFAOYSA-N 1 0 326.318 3.413 20 10 EGCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@H](C)C1 ZINC000792192039 1309139618 /nfs/dbraw/zinc/13/96/18/1309139618.db2.gz AIBGCDNAMRECHQ-FXAWDEMLSA-N 1 0 332.488 3.160 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)Nc2cccnc2)cc1 ZINC000792200258 1309142970 /nfs/dbraw/zinc/14/29/70/1309142970.db2.gz ZLBAKSSSFGTMBD-UHFFFAOYSA-N 1 0 340.471 3.388 20 10 EGCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792911733 1309256596 /nfs/dbraw/zinc/25/65/96/1309256596.db2.gz AIYIFULLXRFWSD-GFCCVEGCSA-N 1 0 326.366 3.146 20 10 EGCDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793060380 1309289173 /nfs/dbraw/zinc/28/91/73/1309289173.db2.gz AXHKFPHLFSUOFJ-STQMWFEESA-N 1 0 330.394 3.364 20 10 EGCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793074334 1309291807 /nfs/dbraw/zinc/29/18/07/1309291807.db2.gz FTZHRJRFOGRFPJ-HZPDHXFCSA-N 1 0 346.393 3.055 20 10 EGCDRO COc1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)c(O)c1OC ZINC000895403892 1309318143 /nfs/dbraw/zinc/31/81/43/1309318143.db2.gz GYQFOTNLSQOYRV-MRXNPFEDSA-N 1 0 335.444 3.191 20 10 EGCDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1c(O)cccc1Cl ZINC000793604486 1309414059 /nfs/dbraw/zinc/41/40/59/1309414059.db2.gz HEPDUDJCNPKEGO-NSHDSACASA-N 1 0 328.840 3.439 20 10 EGCDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000793610759 1309416765 /nfs/dbraw/zinc/41/67/65/1309416765.db2.gz OXIDJYLWGKGGBE-CRAIPNDOSA-N 1 0 327.424 3.211 20 10 EGCDRO Cc1cc(C[NH2+]C2CCS(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000895632843 1309436804 /nfs/dbraw/zinc/43/68/04/1309436804.db2.gz TXAIBIBZEVAMQM-UHFFFAOYSA-N 1 0 330.497 3.403 20 10 EGCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(C)cc1O ZINC000794809256 1309599787 /nfs/dbraw/zinc/59/97/87/1309599787.db2.gz FFGTYQDYYOSBIZ-IPMKNSEASA-N 1 0 332.488 3.385 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(Br)cc1O ZINC000794832977 1309603707 /nfs/dbraw/zinc/60/37/07/1309603707.db2.gz IUZDWEFZNUYNEV-GXFFZTMASA-N 1 0 328.250 3.356 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000796773348 1310084562 /nfs/dbraw/zinc/08/45/62/1310084562.db2.gz ZVYGLNDGXDMSBV-INIZCTEOSA-N 1 0 335.455 3.493 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000797042383 1310131236 /nfs/dbraw/zinc/13/12/36/1310131236.db2.gz IAIGQEXBYCEJSZ-WMZOPIPTSA-N 1 0 344.503 3.083 20 10 EGCDRO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817964632 1319479490 /nfs/dbraw/zinc/47/94/90/1319479490.db2.gz GPFFXFAXODYZSM-JTQLQIEISA-N 1 0 345.256 3.334 20 10 EGCDRO COC(=O)CC1(C[N@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000799308021 1310522051 /nfs/dbraw/zinc/52/20/51/1310522051.db2.gz SKNHMKASSCHIQK-UHFFFAOYSA-N 1 0 329.396 3.331 20 10 EGCDRO CCOCc1cc(C[NH2+]Cc2ccc3nonc3c2)ccc1OC ZINC000897993478 1310545361 /nfs/dbraw/zinc/54/53/61/1310545361.db2.gz DPCUWNXBOIRASX-UHFFFAOYSA-N 1 0 327.384 3.058 20 10 EGCDRO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000800311272 1310730643 /nfs/dbraw/zinc/73/06/43/1310730643.db2.gz FVEKBOUMPSDJCF-YFHOEESVSA-N 1 0 344.842 3.355 20 10 EGCDRO O=c1ccccn1C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000800545051 1310781051 /nfs/dbraw/zinc/78/10/51/1310781051.db2.gz IVCIRUJDOTXJNB-SFHVURJKSA-N 1 0 338.382 3.224 20 10 EGCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000800859700 1310819706 /nfs/dbraw/zinc/81/97/06/1310819706.db2.gz RIMNQLVXUKNWFO-KRWDZBQOSA-N 1 0 325.456 3.384 20 10 EGCDRO COC[C@]1(C)CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000824576648 1320266985 /nfs/dbraw/zinc/26/69/85/1320266985.db2.gz PYWIHQWWYYESFH-LJQANCHMSA-N 1 0 347.459 3.444 20 10 EGCDRO Cc1cc(Br)c(O)c(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000825338184 1320329898 /nfs/dbraw/zinc/32/98/98/1320329898.db2.gz NFVCRBBECLFUQM-AWEZNQCLSA-N 1 0 341.293 3.378 20 10 EGCDRO COc1ccc(O)c(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000827178269 1320431806 /nfs/dbraw/zinc/43/18/06/1320431806.db2.gz GWGHYNDLLOOXCE-IBGZPJMESA-N 1 0 340.467 3.150 20 10 EGCDRO Cc1cc(C[NH2+]C2(CO)CCSCC2)ccc1N1CCCCC1 ZINC000839181130 1320888006 /nfs/dbraw/zinc/88/80/06/1320888006.db2.gz WKVQBKNXMYWGAM-UHFFFAOYSA-N 1 0 334.529 3.333 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C3CCC3)C2)cc1C ZINC001019027696 1317010973 /nfs/dbraw/zinc/01/09/73/1317010973.db2.gz VNWLWEFOKOONMM-YJBOKZPZSA-N 1 0 330.472 3.130 20 10 EGCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(Cl)ccc1O ZINC000802652242 1317022008 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EGCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000812660863 1318435785 /nfs/dbraw/zinc/43/57/85/1318435785.db2.gz ACYGUVATNLBNNK-QGZVFWFLSA-N 1 0 348.535 3.405 20 10 EGCDRO CCC[N@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1ccccc1O ZINC000812744545 1318447570 /nfs/dbraw/zinc/44/75/70/1318447570.db2.gz RVQJMJYSQZYRBX-UHFFFAOYSA-N 1 0 330.428 3.238 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000812780469 1318453816 /nfs/dbraw/zinc/45/38/16/1318453816.db2.gz FQYDQNRSCONPBS-OAQYLSRUSA-N 1 0 341.451 3.218 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)c3ccc(F)cc3)CC2)cc1 ZINC000812833719 1318466215 /nfs/dbraw/zinc/46/62/15/1318466215.db2.gz UPKSHTCBPMGGSW-FQEVSTJZSA-N 1 0 344.430 3.126 20 10 EGCDRO C[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+](C)C ZINC000813877367 1318648257 /nfs/dbraw/zinc/64/82/57/1318648257.db2.gz UCBGTWOWXGQSEP-CABCVRRESA-N 1 0 339.911 3.025 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178429 1318691924 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349.482 3.289 20 10 EGCDRO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)CCC2 ZINC000817938505 1319467216 /nfs/dbraw/zinc/46/72/16/1319467216.db2.gz LTUUGVUOVJDPOW-LEWJYISDSA-N 1 0 339.483 3.428 20 10 EGCDRO CC(=O)Nc1cccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939124 1319467279 /nfs/dbraw/zinc/46/72/79/1319467279.db2.gz ZIJNBXRPIDFDLG-VLIAUNLRSA-N 1 0 340.471 3.062 20 10 EGCDRO C[C@H](CCCc1cccnc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940279 1319468841 /nfs/dbraw/zinc/46/88/41/1319468841.db2.gz FIQGCHWUOOUOLX-UZLBHIALSA-N 1 0 326.488 3.148 20 10 EGCDRO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817942743 1319470005 /nfs/dbraw/zinc/47/00/05/1319470005.db2.gz QSMLQSSXPRAOKL-MLGOLLRUSA-N 1 0 332.517 3.431 20 10 EGCDRO Cc1c([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000817942556 1319470230 /nfs/dbraw/zinc/47/02/30/1319470230.db2.gz PMYRGEYVVMGTGA-KSSFIOAISA-N 1 0 342.443 3.320 20 10 EGCDRO CC(C)[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817944031 1319471743 /nfs/dbraw/zinc/47/17/43/1319471743.db2.gz WUNNYDJLOKUTDK-HKUYNNGSSA-N 1 0 330.451 3.273 20 10 EGCDRO CCN(C)c1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC000817947544 1319473903 /nfs/dbraw/zinc/47/39/03/1319473903.db2.gz ALWVSYNONQSVKB-INIZCTEOSA-N 1 0 339.487 3.120 20 10 EGCDRO CC[C@H](NC[C@@H]1CCCC[NH2+]1)c1cc(Br)ccc1O ZINC000817950784 1319475483 /nfs/dbraw/zinc/47/54/83/1319475483.db2.gz YULRBVLULMLHLI-JSGCOSHPSA-N 1 0 327.266 3.338 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ncc(Br)s1 ZINC000817956360 1319476278 /nfs/dbraw/zinc/47/62/78/1319476278.db2.gz XFADCOOOLNJARU-SECBINFHSA-N 1 0 326.263 3.381 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cc4n(n3)CCC4)C2)cc1 ZINC000818341883 1319530590 /nfs/dbraw/zinc/53/05/90/1319530590.db2.gz IDAPGKXHRUNWQZ-HZPDHXFCSA-N 1 0 340.471 3.015 20 10 EGCDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000818342299 1319530760 /nfs/dbraw/zinc/53/07/60/1319530760.db2.gz OOWPSOCTOMWTSL-UZLBHIALSA-N 1 0 332.488 3.316 20 10 EGCDRO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000818634922 1319572591 /nfs/dbraw/zinc/57/25/91/1319572591.db2.gz UYYOYTHRHPYQDE-UHFFFAOYSA-N 1 0 338.455 3.376 20 10 EGCDRO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953059 1319587788 /nfs/dbraw/zinc/58/77/88/1319587788.db2.gz ASMHEKIFAZFBIR-FQEVSTJZSA-N 1 0 340.467 3.125 20 10 EGCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1C ZINC000962204634 1319858604 /nfs/dbraw/zinc/85/86/04/1319858604.db2.gz GKKTZYXOAYUHDR-DSGNQQCESA-N 1 0 342.483 3.034 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CC3CC3)C2)cc1C ZINC001023801793 1319944479 /nfs/dbraw/zinc/94/44/79/1319944479.db2.gz WNJDMLGRDQQNFR-GOSISDBHSA-N 1 0 330.472 3.132 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c1O ZINC000821336526 1320007258 /nfs/dbraw/zinc/00/72/58/1320007258.db2.gz CSZQLNCGRQCPMV-KRWDZBQOSA-N 1 0 345.418 3.093 20 10 EGCDRO CCN(CC)c1ccc(CN(C)[C@@H](C(N)=O)c2ccccc2)cc1 ZINC000821958374 1320044503 /nfs/dbraw/zinc/04/45/03/1320044503.db2.gz AGPBRGGEUHYLSI-LJQANCHMSA-N 1 0 325.456 3.191 20 10 EGCDRO COCC1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000823729415 1320201819 /nfs/dbraw/zinc/20/18/19/1320201819.db2.gz GDOSGIWWQLTQTA-MUYFXNHWSA-N 1 0 332.488 3.379 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2ccn(C)n2)cc1 ZINC000824165935 1320234446 /nfs/dbraw/zinc/23/44/46/1320234446.db2.gz AZLJZRIKIJVWKQ-UHFFFAOYSA-N 1 0 340.496 3.450 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](SC)C2)c1O ZINC000824683779 1320276884 /nfs/dbraw/zinc/27/68/84/1320276884.db2.gz VSHYPQZWBSECSY-NSHDSACASA-N 1 0 332.263 3.101 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1Cl ZINC000824809450 1320286639 /nfs/dbraw/zinc/28/66/39/1320286639.db2.gz VFNZYLGOPQZSMH-AWEZNQCLSA-N 1 0 336.863 3.188 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000825016720 1320304538 /nfs/dbraw/zinc/30/45/38/1320304538.db2.gz GXHCEHGEADZBMW-KSSFIOAISA-N 1 0 326.444 3.156 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1Cl ZINC000825127068 1320312657 /nfs/dbraw/zinc/31/26/57/1320312657.db2.gz VIHJMTGISAJTMC-LLVKDONJSA-N 1 0 336.785 3.328 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1Cl ZINC000825173780 1320315959 /nfs/dbraw/zinc/31/59/59/1320315959.db2.gz RUQZQUXOYYCKAY-KRWDZBQOSA-N 1 0 344.842 3.245 20 10 EGCDRO COc1cccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c1O ZINC000825188684 1320316615 /nfs/dbraw/zinc/31/66/15/1320316615.db2.gz MMABNUVEPSSIFW-UHFFFAOYSA-N 1 0 327.424 3.282 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000825283515 1320323392 /nfs/dbraw/zinc/32/33/92/1320323392.db2.gz MDSAVEUZOHCLKZ-UHFFFAOYSA-N 1 0 348.240 3.422 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000825284647 1320323752 /nfs/dbraw/zinc/32/37/52/1320323752.db2.gz VZZSJNRAYWYLSG-UFGOTCBOSA-N 1 0 330.350 3.106 20 10 EGCDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825297383 1320325044 /nfs/dbraw/zinc/32/50/44/1320325044.db2.gz DIOPJAOZNRXHKY-UHFFFAOYSA-N 1 0 336.819 3.165 20 10 EGCDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)c1 ZINC000825327917 1320328724 /nfs/dbraw/zinc/32/87/24/1320328724.db2.gz WCAJZRQDYWDFKO-LBPRGKRZSA-N 1 0 349.402 3.278 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000825353962 1320331344 /nfs/dbraw/zinc/33/13/44/1320331344.db2.gz QEDMVDQTGATFNH-BBRMVZONSA-N 1 0 327.877 3.498 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(Br)cc2O)cn1 ZINC000825504708 1320344000 /nfs/dbraw/zinc/34/40/00/1320344000.db2.gz DAMJGWBAYPANIG-UHFFFAOYSA-N 1 0 337.217 3.190 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1Cl ZINC000825535831 1320346269 /nfs/dbraw/zinc/34/62/69/1320346269.db2.gz CMAXRQHFIJFXNZ-UHFFFAOYSA-N 1 0 325.836 3.126 20 10 EGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1Cl ZINC000825887588 1320368830 /nfs/dbraw/zinc/36/88/30/1320368830.db2.gz VKWPQUUMMSDMHU-NEPJUHHUSA-N 1 0 337.769 3.347 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(C[NH3+])c1 ZINC000826035679 1320379884 /nfs/dbraw/zinc/37/98/84/1320379884.db2.gz CPOGRHYZMJBDCG-UHFFFAOYSA-N 1 0 337.467 3.408 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1Cl ZINC000827596139 1320461266 /nfs/dbraw/zinc/46/12/66/1320461266.db2.gz VJVOXBXKWZXBAY-KRWDZBQOSA-N 1 0 327.852 3.011 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000837724423 1320674025 /nfs/dbraw/zinc/67/40/25/1320674025.db2.gz GOBKMFFNQUFEQQ-UHFFFAOYSA-N 1 0 348.535 3.452 20 10 EGCDRO CCCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCCC[C@H]1OC ZINC000840136183 1321036073 /nfs/dbraw/zinc/03/60/73/1321036073.db2.gz YRYNMEXKDGFZAH-NZSAHSFTSA-N 1 0 349.471 3.378 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840863344 1321164456 /nfs/dbraw/zinc/16/44/56/1321164456.db2.gz HXVQYYONUOVTOU-ZFWWWQNUSA-N 1 0 344.411 3.172 20 10 EGCDRO C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1cc(F)ccc1O ZINC000840865010 1321165000 /nfs/dbraw/zinc/16/50/00/1321165000.db2.gz SLSBQRUXLKQPQP-WFASDCNBSA-N 1 0 332.375 3.303 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000840877385 1321167323 /nfs/dbraw/zinc/16/73/23/1321167323.db2.gz VYGMMBXMVLFBRW-CQSZACIVSA-N 1 0 326.506 3.007 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000840892537 1321172155 /nfs/dbraw/zinc/17/21/55/1321172155.db2.gz ALXOTIYMZYWPMF-KXBFYZLASA-N 1 0 326.488 3.393 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000840939236 1321181576 /nfs/dbraw/zinc/18/15/76/1321181576.db2.gz VWQYRMQAPXWOIW-UHFFFAOYSA-N 1 0 328.378 3.404 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000840942130 1321182731 /nfs/dbraw/zinc/18/27/31/1321182731.db2.gz SYZLVPMQAZUFMF-GDBMZVCRSA-N 1 0 330.394 3.196 20 10 EGCDRO CCOc1ccc(O)c(CN(CC[NH3+])c2ccc3ccccc3n2)c1 ZINC000840957672 1321186792 /nfs/dbraw/zinc/18/67/92/1321186792.db2.gz LXJOKEAZOOWXKO-UHFFFAOYSA-N 1 0 337.423 3.304 20 10 EGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)C2(OC)CCC2)c1O ZINC000840969168 1321189929 /nfs/dbraw/zinc/18/99/29/1321189929.db2.gz BQULRMFCERJOTF-JTQLQIEISA-N 1 0 344.249 3.211 20 10 EGCDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000840973907 1321191271 /nfs/dbraw/zinc/19/12/71/1321191271.db2.gz XXNCRDWKJNWEGG-BBRMVZONSA-N 1 0 327.380 3.023 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000840975175 1321192063 /nfs/dbraw/zinc/19/20/63/1321192063.db2.gz DLIFMHZPODTDFL-HNNXBMFYSA-N 1 0 329.492 3.128 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc(N(C)C)s1 ZINC000840975493 1321192324 /nfs/dbraw/zinc/19/23/24/1321192324.db2.gz GVFOUGINYIXIMO-CQSZACIVSA-N 1 0 332.517 3.304 20 10 EGCDRO CC[C@@](C[NH2+]Cc1cc(OC)ccc1O)(C(=O)OC)c1ccccc1 ZINC000840979679 1321193501 /nfs/dbraw/zinc/19/35/01/1321193501.db2.gz ZNQBIQRVCIEGAJ-FQEVSTJZSA-N 1 0 343.423 3.011 20 10 EGCDRO COc1ccc2oc(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc2c1 ZINC000841046253 1321209205 /nfs/dbraw/zinc/20/92/05/1321209205.db2.gz YOTUJVXEWSALLP-IBGZPJMESA-N 1 0 339.439 3.297 20 10 EGCDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841086396 1321215846 /nfs/dbraw/zinc/21/58/46/1321215846.db2.gz AEEFADODQWYIJY-KRWDZBQOSA-N 1 0 334.464 3.048 20 10 EGCDRO C[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC000841304290 1321251216 /nfs/dbraw/zinc/25/12/16/1321251216.db2.gz FFUWAMYOSGXQRJ-CQSZACIVSA-N 1 0 338.455 3.281 20 10 EGCDRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841743482 1321305862 /nfs/dbraw/zinc/30/58/62/1321305862.db2.gz HPDGKYMVYLIQHM-LBPRGKRZSA-N 1 0 348.830 3.481 20 10 EGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Cl)cc1O ZINC000841752339 1321306631 /nfs/dbraw/zinc/30/66/31/1321306631.db2.gz AAMSTNGZCWMAQE-NSHDSACASA-N 1 0 331.865 3.054 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCOCC2)c2c1c(F)ccc2O ZINC000841763737 1321308723 /nfs/dbraw/zinc/30/87/23/1321308723.db2.gz QLKDQMOUTKNKJE-JSGCOSHPSA-N 1 0 337.435 3.237 20 10 EGCDRO C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ccc(N(C)C)cc1 ZINC000841880821 1321325745 /nfs/dbraw/zinc/32/57/45/1321325745.db2.gz IDKRMRIDTDJAOU-INIZCTEOSA-N 1 0 346.519 3.364 20 10 EGCDRO COCCCC[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000841894053 1321328086 /nfs/dbraw/zinc/32/80/86/1321328086.db2.gz LGMNHRQIXMMZOU-UHFFFAOYSA-N 1 0 332.238 3.022 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000841949676 1321331585 /nfs/dbraw/zinc/33/15/85/1321331585.db2.gz POGNASXWWUWKIS-QGZVFWFLSA-N 1 0 327.428 3.014 20 10 EGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841983302 1321333342 /nfs/dbraw/zinc/33/33/42/1321333342.db2.gz BETLEROTBPRDRZ-QGZVFWFLSA-N 1 0 333.476 3.221 20 10 EGCDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000842720809 1321423982 /nfs/dbraw/zinc/42/39/82/1321423982.db2.gz MLWADPWFJHFBDO-GOSISDBHSA-N 1 0 329.488 3.166 20 10 EGCDRO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C(=O)NCc1cccs1 ZINC000842749364 1321427519 /nfs/dbraw/zinc/42/75/19/1321427519.db2.gz XDDLNRZOGITRDW-MRXNPFEDSA-N 1 0 332.469 3.255 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)NCc1cccs1 ZINC000842907073 1321448663 /nfs/dbraw/zinc/44/86/63/1321448663.db2.gz CKNUJPLQSAWVJH-HUUCEWRRSA-N 1 0 330.453 3.126 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000843349731 1321503422 /nfs/dbraw/zinc/50/34/22/1321503422.db2.gz JVNZLJNUAJQTAK-YLJYHZDGSA-N 1 0 341.499 3.079 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(Cl)cc1 ZINC000843350587 1321503976 /nfs/dbraw/zinc/50/39/76/1321503976.db2.gz VEXRJCYTVDOQMU-UHFFFAOYSA-N 1 0 329.831 3.190 20 10 EGCDRO Fc1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)ccc1N1CCOCC1 ZINC000843419949 1321515409 /nfs/dbraw/zinc/51/54/09/1321515409.db2.gz WXYIHQCLMQVKMO-SFHVURJKSA-N 1 0 341.430 3.047 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000844167126 1321575536 /nfs/dbraw/zinc/57/55/36/1321575536.db2.gz QODIIOKBUXAZHP-HXUWFJFHSA-N 1 0 339.483 3.500 20 10 EGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C[C@@H]1C ZINC000845971093 1321760039 /nfs/dbraw/zinc/76/00/39/1321760039.db2.gz GZXIVNLITLGHBA-RZLSGREXSA-N 1 0 335.444 3.419 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)c(OC)cc2OC)c1 ZINC000845970683 1321760219 /nfs/dbraw/zinc/76/02/19/1321760219.db2.gz BQOASUPLTGWKKR-NSHDSACASA-N 1 0 335.375 3.408 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]CCN2CCc3ccccc3C2)c1O ZINC000846137013 1321770219 /nfs/dbraw/zinc/77/02/19/1321770219.db2.gz QANLQEFQUNSFIA-HNNXBMFYSA-N 1 0 326.440 3.110 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCCn2cnc3ccccc32)c1O ZINC000846137323 1321770418 /nfs/dbraw/zinc/77/04/18/1321770418.db2.gz NQIYREUIKZWGNB-CQSZACIVSA-N 1 0 325.412 3.491 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1O ZINC000846141061 1321770870 /nfs/dbraw/zinc/77/08/70/1321770870.db2.gz KHWPEBVHVISLRS-OAHLLOKOSA-N 1 0 341.455 3.111 20 10 EGCDRO COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3cccc(OC)c3O)C2)c1 ZINC000846146619 1321771360 /nfs/dbraw/zinc/77/13/60/1321771360.db2.gz RIUYEPHHPILGEQ-CABCVRRESA-N 1 0 342.439 3.339 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1O ZINC000846142994 1321771448 /nfs/dbraw/zinc/77/14/48/1321771448.db2.gz XLIDTDRKQLIENU-NSHDSACASA-N 1 0 332.356 3.168 20 10 EGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148076 1321772224 /nfs/dbraw/zinc/77/22/24/1321772224.db2.gz WZQYNZZTZHDAGM-NSHDSACASA-N 1 0 332.356 3.168 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000846158277 1321772578 /nfs/dbraw/zinc/77/25/78/1321772578.db2.gz WGEJDMQKDCBMLX-OLZOCXBDSA-N 1 0 338.448 3.212 20 10 EGCDRO CC[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)NC(=O)OC(C)(C)C ZINC000846171352 1321773724 /nfs/dbraw/zinc/77/37/24/1321773724.db2.gz RXQKPZSYNDMOOV-CHWSQXEVSA-N 1 0 338.448 3.355 20 10 EGCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000846209712 1321776167 /nfs/dbraw/zinc/77/61/67/1321776167.db2.gz SMKMMWBPQVBWRO-HOTGVXAUSA-N 1 0 347.478 3.335 20 10 EGCDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1=O ZINC000846209711 1321776282 /nfs/dbraw/zinc/77/62/82/1321776282.db2.gz SMKMMWBPQVBWRO-CVEARBPZSA-N 1 0 347.478 3.335 20 10 EGCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1=O ZINC000846208832 1321776317 /nfs/dbraw/zinc/77/63/17/1321776317.db2.gz MHHAMJJJXKNKIK-IRXDYDNUSA-N 1 0 329.488 3.196 20 10 EGCDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000846663252 1321799314 /nfs/dbraw/zinc/79/93/14/1321799314.db2.gz GKWVPDNVKWAYPC-FZKQIMNGSA-N 1 0 345.874 3.326 20 10 EGCDRO C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccc(N(C)C)cc1 ZINC000847760850 1321902990 /nfs/dbraw/zinc/90/29/90/1321902990.db2.gz NILSFAMAZKOYJP-MRXNPFEDSA-N 1 0 339.483 3.348 20 10 EGCDRO CCc1cccc(C[NH2+]C[C@](C)(C(=O)OC)c2ccccc2)c1O ZINC000848904840 1322040261 /nfs/dbraw/zinc/04/02/61/1322040261.db2.gz BWHHBSBNFYVKBG-FQEVSTJZSA-N 1 0 327.424 3.175 20 10 EGCDRO CCc1cccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1O ZINC000848914232 1322044379 /nfs/dbraw/zinc/04/43/79/1322044379.db2.gz JWFUPHTYFHLERY-UHFFFAOYSA-N 1 0 325.452 3.481 20 10 EGCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000919788303 1322107404 /nfs/dbraw/zinc/10/74/04/1322107404.db2.gz IFYGDTXIYBNCKH-IYBDPMFKSA-N 1 0 347.503 3.290 20 10 EGCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)nc2)c(O)c(C(C)(C)C)c1 ZINC000850026531 1322183422 /nfs/dbraw/zinc/18/34/22/1322183422.db2.gz JLSNMLWUARUTCV-UHFFFAOYSA-N 1 0 343.471 3.449 20 10 EGCDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(N(C)C)cc1 ZINC000850252058 1322216594 /nfs/dbraw/zinc/21/65/94/1322216594.db2.gz LCNOQBHJBRDVGF-NSHDSACASA-N 1 0 326.366 3.356 20 10 EGCDRO COc1cc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850282830 1322222860 /nfs/dbraw/zinc/22/28/60/1322222860.db2.gz CVRGKWRFLRLHLT-UHFFFAOYSA-N 1 0 348.487 3.189 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccnn1CC1CC1 ZINC000850328109 1322229388 /nfs/dbraw/zinc/22/93/88/1322229388.db2.gz QPCKRHZRSINGPQ-MRXNPFEDSA-N 1 0 326.488 3.388 20 10 EGCDRO CCOc1ccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c(O)c1 ZINC000850418994 1322244147 /nfs/dbraw/zinc/24/41/47/1322244147.db2.gz SCOOXGWXLGTYLH-MRXNPFEDSA-N 1 0 341.329 3.031 20 10 EGCDRO COc1ccc(N2C[C@H]([NH2+][C@@H](C)c3ccc(C)cc3O)CC2=O)cc1 ZINC000850516257 1322259818 /nfs/dbraw/zinc/25/98/18/1322259818.db2.gz UBXWWNOEYASKKE-LSDHHAIUSA-N 1 0 340.423 3.165 20 10 EGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000850532790 1322262157 /nfs/dbraw/zinc/26/21/57/1322262157.db2.gz XFJLBOBYQRNVCS-OAHLLOKOSA-N 1 0 338.517 3.151 20 10 EGCDRO CNC(=O)CC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCCCC1 ZINC000850554477 1322265132 /nfs/dbraw/zinc/26/51/32/1322265132.db2.gz DNEGUEZLFXCVMZ-AWEZNQCLSA-N 1 0 334.460 3.138 20 10 EGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000850558854 1322267333 /nfs/dbraw/zinc/26/73/33/1322267333.db2.gz USQYGZIPYFNZRJ-JKSUJKDBSA-N 1 0 331.504 3.440 20 10 EGCDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566354 1322269817 /nfs/dbraw/zinc/26/98/17/1322269817.db2.gz MVPTUCGCMNASQF-OAHLLOKOSA-N 1 0 330.497 3.430 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000850578023 1322271883 /nfs/dbraw/zinc/27/18/83/1322271883.db2.gz FTFPMSJMHBNSKA-OLZOCXBDSA-N 1 0 338.448 3.307 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+][C@H](c3ccccn3)C3CC3)cc2)CC1 ZINC000922581100 1322562687 /nfs/dbraw/zinc/56/26/87/1322562687.db2.gz HSDSPOMEFCOFFY-NRFANRHFSA-N 1 0 337.467 3.284 20 10 EGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000922936939 1322653817 /nfs/dbraw/zinc/65/38/17/1322653817.db2.gz QWCPQYUWYWUBCR-SFHVURJKSA-N 1 0 346.496 3.280 20 10 EGCDRO Cc1cc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923402106 1322745498 /nfs/dbraw/zinc/74/54/98/1322745498.db2.gz TZYFMFKAJQWFMW-CABCVRRESA-N 1 0 329.410 3.020 20 10 EGCDRO Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923402111 1322745856 /nfs/dbraw/zinc/74/58/56/1322745856.db2.gz TZYFMFKAJQWFMW-HUUCEWRRSA-N 1 0 329.410 3.020 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2C[C@@H](CC[NH3+])c3ccccc32)c1O ZINC000923559540 1322776420 /nfs/dbraw/zinc/77/64/20/1322776420.db2.gz NPLZISDXRQFUAJ-CYBMUJFWSA-N 1 0 328.387 3.187 20 10 EGCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000852019227 1323133548 /nfs/dbraw/zinc/13/35/48/1323133548.db2.gz VVAFFMJNOLPOSM-CGTJXYLNSA-N 1 0 330.472 3.442 20 10 EGCDRO COC1CCN(c2ccc(C[N@H+](C3CC3)C3(CO)CCC3)cc2)CC1 ZINC000852159947 1323157525 /nfs/dbraw/zinc/15/75/25/1323157525.db2.gz VGQISUKVRBTZTC-UHFFFAOYSA-N 1 0 344.499 3.181 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(-n2cnnc2)c1 ZINC000924863284 1323191708 /nfs/dbraw/zinc/19/17/08/1323191708.db2.gz XHGFWOUXEQLWNC-AWEZNQCLSA-N 1 0 339.418 3.323 20 10 EGCDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852603160 1323215021 /nfs/dbraw/zinc/21/50/21/1323215021.db2.gz KCIYMGXIEMFPJL-QGZVFWFLSA-N 1 0 346.519 3.014 20 10 EGCDRO CCOc1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)c(O)c1 ZINC000853095330 1323280447 /nfs/dbraw/zinc/28/04/47/1323280447.db2.gz LHMSIXKPTDBIEG-UHFFFAOYSA-N 1 0 326.318 3.495 20 10 EGCDRO Cc1cc(C[NH+]2CCC(N3CCOC3=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000853608363 1325133356 /nfs/dbraw/zinc/13/33/56/1325133356.db2.gz QNVYQKFDTWEUMB-UHFFFAOYSA-N 1 0 346.471 3.415 20 10 EGCDRO C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000854222812 1325230507 /nfs/dbraw/zinc/23/05/07/1325230507.db2.gz KYSBXZLLMZYHSL-VIFPVBQESA-N 1 0 331.229 3.216 20 10 EGCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)C(C)C)C3)C2)cc1C ZINC000963575939 1325328827 /nfs/dbraw/zinc/32/88/27/1325328827.db2.gz DPTNAOFGPQWQPI-UHFFFAOYSA-N 1 0 330.472 3.177 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926612664 1327634042 /nfs/dbraw/zinc/63/40/42/1327634042.db2.gz QPBZRBFEVDHAFN-HZPDHXFCSA-N 1 0 341.455 3.276 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3c(C)noc3C)C2)cc1 ZINC000926609977 1327634339 /nfs/dbraw/zinc/63/43/39/1327634339.db2.gz BPNCRCOPMVSBTJ-CJNGLKHVSA-N 1 0 329.444 3.477 20 10 EGCDRO Cc1cc(C[NH2+][C@@H](C)C[C@H]2CCC(=O)N2)c(C)n1-c1ccccc1 ZINC000926765420 1327706193 /nfs/dbraw/zinc/70/61/93/1327706193.db2.gz UDDPCEZLNFLXPZ-KBXCAEBGSA-N 1 0 325.456 3.241 20 10 EGCDRO CC1(C)C[C@H](O)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862388227 1329481150 /nfs/dbraw/zinc/48/11/50/1329481150.db2.gz YDCJXBPGVRMDDE-LLVKDONJSA-N 1 0 328.250 3.138 20 10 EGCDRO CCOC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862244447 1329470338 /nfs/dbraw/zinc/47/03/38/1329470338.db2.gz AZVUVAAVGYKDJO-GFCCVEGCSA-N 1 0 328.250 3.403 20 10 EGCDRO CCC1(CO)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862248233 1329470833 /nfs/dbraw/zinc/47/08/33/1329470833.db2.gz UAXHEPWUSRZFAP-UHFFFAOYSA-N 1 0 328.250 3.139 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000862374477 1329479755 /nfs/dbraw/zinc/47/97/55/1329479755.db2.gz MQVAHPOFORRQTD-CYBMUJFWSA-N 1 0 340.261 3.403 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1 ZINC000862503259 1329491775 /nfs/dbraw/zinc/49/17/75/1329491775.db2.gz OLMXRGHCCYBHFA-UHFFFAOYSA-N 1 0 345.531 3.220 20 10 EGCDRO CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000948073475 1333365968 /nfs/dbraw/zinc/36/59/68/1333365968.db2.gz KLXHMJKRNFYPCJ-CJNGLKHVSA-N 1 0 345.447 3.232 20 10 EGCDRO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671844 1337057804 /nfs/dbraw/zinc/05/78/04/1337057804.db2.gz KAUMNGMACTZMHM-MRXNPFEDSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C)s3)C2)cc1C ZINC001018431513 1339615096 /nfs/dbraw/zinc/61/50/96/1339615096.db2.gz BZPPJYDDWUZFFK-INIZCTEOSA-N 1 0 344.480 3.378 20 10 EGCDRO C/C=C(/C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001035979153 1343298360 /nfs/dbraw/zinc/29/83/60/1343298360.db2.gz XOLMHSHWUVAJBU-HQEHOLSNSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1C ZINC001036349609 1343435190 /nfs/dbraw/zinc/43/51/90/1343435190.db2.gz KJSQBVBMBWWYQL-CRAIPNDOSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C3CC=CC3)C2)cc1C ZINC001047770025 1347365880 /nfs/dbraw/zinc/36/58/80/1347365880.db2.gz PFBIHHAJIHPQKY-LPHOPBHVSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2C)cc1C ZINC001048105873 1347467835 /nfs/dbraw/zinc/46/78/35/1347467835.db2.gz WTUYXOZIKZLIPG-DOTOQJQBSA-N 1 0 342.439 3.095 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]2C)cc1C ZINC001048195114 1347489704 /nfs/dbraw/zinc/48/97/04/1347489704.db2.gz CPMUSQCHZTUKDG-FAASWCDASA-N 1 0 342.483 3.154 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2C)cc1C ZINC001054316470 1349306572 /nfs/dbraw/zinc/30/65/72/1349306572.db2.gz UJUTWTWTBIBICE-MAUKXSAKSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC3CCC3)C[C@@H]2C)cc1C ZINC001054521499 1349381890 /nfs/dbraw/zinc/38/18/90/1349381890.db2.gz KAGSCQOLJCHQDV-MAUKXSAKSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)CC3(C)CC3)C[C@@H]2C)cc1C ZINC001054915953 1349513029 /nfs/dbraw/zinc/51/30/29/1349513029.db2.gz CJJLFDZKNRVIBO-RDJZCZTQSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCCCCN(C(=O)C3CC3)C2)cc1C ZINC001088245740 1359815112 /nfs/dbraw/zinc/81/51/12/1359815112.db2.gz BNALSLBTKYJDEX-SFHVURJKSA-N 1 0 330.472 3.274 20 10 EGCDRO CC(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001072102505 1355131728 /nfs/dbraw/zinc/13/17/28/1355131728.db2.gz PDEQRNZRBYKYGR-CJNGLKHVSA-N 1 0 345.447 3.088 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(C)C)CC[C@@H]2C)cc1C ZINC001072203338 1355185819 /nfs/dbraw/zinc/18/58/19/1355185819.db2.gz BNJOBCUFSYVZDQ-MAUKXSAKSA-N 1 0 332.488 3.234 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC23CC3)cc1C ZINC001085344360 1358473409 /nfs/dbraw/zinc/47/34/09/1358473409.db2.gz YIJQEOOMJCIWIX-KZNAEPCWSA-N 1 0 342.483 3.321 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC3(C)C)C2)cc1C ZINC001086063562 1358984386 /nfs/dbraw/zinc/98/43/86/1358984386.db2.gz XENHSIPZMNQLKU-IXDOHACOSA-N 1 0 330.472 3.034 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cocc3C)C2)cc1C ZINC001086169761 1359013034 /nfs/dbraw/zinc/01/30/34/1359013034.db2.gz RFIPZZCXKOCSAB-CALCHBBNSA-N 1 0 342.439 3.203 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H](C)C3)C2)cc1C ZINC001086216454 1359030549 /nfs/dbraw/zinc/03/05/49/1359030549.db2.gz SNMWTORQCNDEDT-OAOYMFHYSA-N 1 0 344.499 3.424 20 10 EGCDRO CC[C@@]1(C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086239498 1359036884 /nfs/dbraw/zinc/03/68/84/1359036884.db2.gz GFJYTWGCIRYTAL-NYUBLWNDSA-N 1 0 344.499 3.424 20 10 EGCDRO CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086472994 1359112119 /nfs/dbraw/zinc/11/21/19/1359112119.db2.gz IZOSOYRNZBEZBF-NCXUSEDFSA-N 1 0 344.499 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[C@H]2C)cc1C ZINC001087198978 1359317686 /nfs/dbraw/zinc/31/76/86/1359317686.db2.gz MPWZKPDTEXSGBT-VVWQDTPRSA-N 1 0 344.499 3.376 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001323831713 1387468708 /nfs/dbraw/zinc/46/87/08/1387468708.db2.gz YAUWZJAWFKGQPJ-KMFMINBZSA-N 1 0 345.414 3.418 20 10 EGCDRO CCC[C@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100196505 1364041956 /nfs/dbraw/zinc/04/19/56/1364041956.db2.gz LRTUJPCKDLMXLR-NNGSBXSVSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)C(C)C)C[C@H]2C)cc1C ZINC001103897404 1365827521 /nfs/dbraw/zinc/82/75/21/1365827521.db2.gz FUBQBBNXNIKQFW-SJLPKXTDSA-N 1 0 332.488 3.234 20 10 EGCDRO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1cccc(OC)c1O ZINC001203596873 1370182774 /nfs/dbraw/zinc/18/27/74/1370182774.db2.gz QQFGYRSLGDPHAR-OAHLLOKOSA-N 1 0 345.439 3.447 20 10 EGCDRO COc1cccc(C[N@@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)c1O ZINC001203596626 1370182811 /nfs/dbraw/zinc/18/28/11/1370182811.db2.gz MJZPALWZUMEVDM-LJQANCHMSA-N 1 0 331.387 3.288 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OC)c2O)[C@H]1c1ccccc1 ZINC001203602137 1370183963 /nfs/dbraw/zinc/18/39/63/1370183963.db2.gz CVGTYHQJQFOCGY-WMZOPIPTSA-N 1 0 341.407 3.137 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c1O ZINC001203609604 1370186604 /nfs/dbraw/zinc/18/66/04/1370186604.db2.gz ZKDJROZRUDYTRO-QGZVFWFLSA-N 1 0 328.412 3.229 20 10 EGCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2O)C[C@H]2CCCC[C@@H]12 ZINC001203621920 1370190421 /nfs/dbraw/zinc/19/04/21/1370190421.db2.gz KGRGPLGARLTKAX-OLMNPRSZSA-N 1 0 347.455 3.202 20 10 EGCDRO COc1ccc(C[NH+]2CCC(CC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001203628883 1370193291 /nfs/dbraw/zinc/19/32/91/1370193291.db2.gz JCWGWAJYMXMILJ-UHFFFAOYSA-N 1 0 335.444 3.345 20 10 EGCDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(OC)cc1O ZINC001203634890 1370195091 /nfs/dbraw/zinc/19/50/91/1370195091.db2.gz ZYSNZIQSMIWGJB-IBGZPJMESA-N 1 0 340.467 3.497 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC001203678320 1370213873 /nfs/dbraw/zinc/21/38/73/1370213873.db2.gz KONULXFPHMOMSY-INIZCTEOSA-N 1 0 326.440 3.107 20 10 EGCDRO COc1ccc(O)c(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC001203678302 1370213924 /nfs/dbraw/zinc/21/39/24/1370213924.db2.gz KFAINPGWSSSXBC-MRXNPFEDSA-N 1 0 326.440 3.280 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCC(CC(=O)OC(C)(C)C)CC2)c1 ZINC001203680421 1370216251 /nfs/dbraw/zinc/21/62/51/1370216251.db2.gz WKLVEDIVJSWNQJ-UHFFFAOYSA-N 1 0 335.444 3.345 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC001203930754 1370318858 /nfs/dbraw/zinc/31/88/58/1370318858.db2.gz HPOGMHFFHIHXFT-UHFFFAOYSA-N 1 0 335.451 3.239 20 10 EGCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937685 1370322700 /nfs/dbraw/zinc/32/27/00/1370322700.db2.gz LOPCJRBKUBSTMD-WBVHZDCISA-N 1 0 347.503 3.488 20 10 EGCDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC001203939145 1370323497 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CC(C)C(=O)N1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204241049 1370418806 /nfs/dbraw/zinc/41/88/06/1370418806.db2.gz SVRRMVITQOOEMR-UHFFFAOYSA-N 1 0 339.483 3.206 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC3(CCC(=O)N3)CC2)c2ccccc21 ZINC001204240095 1370418958 /nfs/dbraw/zinc/41/89/58/1370418958.db2.gz HYFFRIAKIATQLL-UHFFFAOYSA-N 1 0 337.467 3.150 20 10 EGCDRO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204240519 1370419077 /nfs/dbraw/zinc/41/90/77/1370419077.db2.gz WOKAYSXNZXSQBK-SFHVURJKSA-N 1 0 339.483 3.349 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c2ccccc21 ZINC001204241330 1370419689 /nfs/dbraw/zinc/41/96/89/1370419689.db2.gz FGEQDOJHDNGLRY-QGZVFWFLSA-N 1 0 335.455 3.334 20 10 EGCDRO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001204278901 1370429695 /nfs/dbraw/zinc/42/96/95/1370429695.db2.gz MMNOUKDMPSLXBN-GOOCMWNKSA-N 1 0 348.443 3.118 20 10 EGCDRO Oc1ccc(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c(O)c1 ZINC001204281879 1370431198 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COc1ccc(C[NH2+]CCNC(=O)c2sccc2Cl)cc1C ZINC001127850982 1373190207 /nfs/dbraw/zinc/19/02/07/1373190207.db2.gz QUABMTGDSASCJC-UHFFFAOYSA-N 1 0 338.860 3.238 20 10 EGCDRO CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@@H]2C[NH2+]C[C@@H]2F)c1 ZINC001218001399 1373531400 /nfs/dbraw/zinc/53/14/00/1373531400.db2.gz VBYWUEWMBGLPKJ-WQPNFCCYSA-N 1 0 329.379 3.252 20 10 EGCDRO O=C1C=CC(=NNc2ccc(OC[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2)C=C1 ZINC001218083899 1373556990 /nfs/dbraw/zinc/55/69/90/1373556990.db2.gz DRDKQFDMXQXJNB-MJXNMMHHSA-N 1 0 339.395 3.421 20 10 EGCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCC[C@]34CC[NH2+]C4)cccc21 ZINC001218097803 1373559863 /nfs/dbraw/zinc/55/98/63/1373559863.db2.gz XZLYTLDYRFCLFN-XMSQKQJNSA-N 1 0 347.414 3.373 20 10 EGCDRO O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C(O[C@H]2CC[NH2+]C2)=C1 ZINC001218182907 1373574187 /nfs/dbraw/zinc/57/41/87/1373574187.db2.gz RNTLEYUOFFLBCO-HLAUDOPJSA-N 1 0 328.328 3.457 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2c[nH]c3ccccc32)cc1C ZINC001130933984 1373611051 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EGCDRO Oc1ccc(F)c(F)c1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC001233334359 1376619783 /nfs/dbraw/zinc/61/97/83/1376619783.db2.gz CSDUDZDNABAKSZ-UHFFFAOYSA-N 1 0 332.394 3.378 20 10 EGCDRO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485068 1376653487 /nfs/dbraw/zinc/65/34/87/1376653487.db2.gz HTGVDFBTGOOUOP-HNNXBMFYSA-N 1 0 329.396 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2ccsn2)cc1C ZINC001134708453 1376672305 /nfs/dbraw/zinc/67/23/05/1376672305.db2.gz ZLBVLZSQIYRMID-ZIAGYGMSSA-N 1 0 347.484 3.147 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@]1(C)O ZINC001233726405 1376703182 /nfs/dbraw/zinc/70/31/82/1376703182.db2.gz CXYLUCNKUQDFPT-ABAIWWIYSA-N 1 0 333.350 3.274 20 10 EGCDRO CCOC(=O)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233737087 1376706263 /nfs/dbraw/zinc/70/62/63/1376706263.db2.gz VSPJCNCCKUCTTP-UHFFFAOYSA-N 1 0 347.333 3.066 20 10 EGCDRO CCN(CC)c1ccc(CN2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)cc1 ZINC001235901378 1376916022 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EGCDRO Cc1cc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c(C)n1-c1ccccc1 ZINC001137855904 1377631434 /nfs/dbraw/zinc/63/14/34/1377631434.db2.gz JLHOUAODVJXVAO-HXUWFJFHSA-N 1 0 340.467 3.210 20 10 EGCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137859144 1377632565 /nfs/dbraw/zinc/63/25/65/1377632565.db2.gz KRVWFOXZFMVVAB-FQEVSTJZSA-N 1 0 326.440 3.479 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCC2(C1)OCCO2 ZINC001138222222 1377690919 /nfs/dbraw/zinc/69/09/19/1377690919.db2.gz MMQFIXSTZDIDAI-IBGZPJMESA-N 1 0 330.472 3.404 20 10 EGCDRO c1cnc(O[C@@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC001138222442 1377691095 /nfs/dbraw/zinc/69/10/95/1377691095.db2.gz XUOUGWSMWTUYSE-LJQANCHMSA-N 1 0 338.455 3.120 20 10 EGCDRO CC(C)(C)[NH+]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138340545 1377705326 /nfs/dbraw/zinc/70/53/26/1377705326.db2.gz VBIBLUKUQHRLFW-UHFFFAOYSA-N 1 0 343.515 3.007 20 10 EGCDRO CCO[C@@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337730 1377705717 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CC[N@H+](C)C1CCN(Cc2c(O)cccc2Br)CC1 ZINC001140101839 1378007419 /nfs/dbraw/zinc/00/74/19/1378007419.db2.gz BJHNVKZTAVQQGO-UHFFFAOYSA-N 1 0 327.266 3.071 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001140102998 1378008789 /nfs/dbraw/zinc/00/87/89/1378008789.db2.gz DFTLKBQJSQNWIZ-ZDUSSCGKSA-N 1 0 349.228 3.203 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c1O ZINC001140178569 1378026536 /nfs/dbraw/zinc/02/65/36/1378026536.db2.gz OUNYSSJFQIXMEL-UHFFFAOYSA-N 1 0 332.444 3.204 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1O ZINC001140180327 1378027114 /nfs/dbraw/zinc/02/71/14/1378027114.db2.gz FEAZKUNZAXFRGX-NLWGTHIKSA-N 1 0 331.456 3.167 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1c1ccccc1 ZINC001140185213 1378028005 /nfs/dbraw/zinc/02/80/05/1378028005.db2.gz RZNLOYPQUQYANK-RTBURBONSA-N 1 0 339.435 3.398 20 10 EGCDRO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](Oc3ncncc3C)C2)c1O ZINC001140184903 1378028027 /nfs/dbraw/zinc/02/80/27/1378028027.db2.gz KFIWQVQPFDJZMC-MRXNPFEDSA-N 1 0 327.428 3.151 20 10 EGCDRO CCn1cc2c(n1)CN(Cc1c(O)cccc1Cl)C[C@@H]2COC ZINC001140338414 1378048572 /nfs/dbraw/zinc/04/85/72/1378048572.db2.gz ISMQUTQLASDKDD-GFCCVEGCSA-N 1 0 335.835 3.008 20 10 EGCDRO Oc1cc(Cl)ccc1CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001140465060 1378068273 /nfs/dbraw/zinc/06/82/73/1378068273.db2.gz GWTQTBYVBUYFHJ-UHFFFAOYSA-N 1 0 328.843 3.363 20 10 EGCDRO C[C@@H]1CC[N@@H+]1Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001140476010 1378069582 /nfs/dbraw/zinc/06/95/82/1378069582.db2.gz DVCHFNOBCUDSDD-MRXNPFEDSA-N 1 0 345.487 3.338 20 10 EGCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c([O-])cc(F)cc3F)C2)c1 ZINC001140585513 1378090603 /nfs/dbraw/zinc/09/06/03/1378090603.db2.gz LVMHJSLMMXMOCC-CQSZACIVSA-N 1 0 334.366 3.417 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001140621085 1378099744 /nfs/dbraw/zinc/09/97/44/1378099744.db2.gz GXZSJBWOFMZKCD-QUCCMNQESA-N 1 0 337.467 3.050 20 10 EGCDRO CCOc1cccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC001140622573 1378100335 /nfs/dbraw/zinc/10/03/35/1378100335.db2.gz AIPIEDXWXDIDEX-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)c1 ZINC001140623397 1378100507 /nfs/dbraw/zinc/10/05/07/1378100507.db2.gz QGESCNNRYOSDAM-UYAOXDASSA-N 1 0 338.451 3.324 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)c1O ZINC001140749407 1378128996 /nfs/dbraw/zinc/12/89/96/1378128996.db2.gz YKENUAWLSUXQDT-UHFFFAOYSA-N 1 0 334.366 3.007 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c1O ZINC001140748538 1378129124 /nfs/dbraw/zinc/12/91/24/1378129124.db2.gz HYPMNAUJYGWYPK-QRTARXTBSA-N 1 0 347.455 3.348 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c(C)c1 ZINC001140750222 1378129497 /nfs/dbraw/zinc/12/94/97/1378129497.db2.gz XWCOUVDRXVJSKX-UHFFFAOYSA-N 1 0 342.439 3.045 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c(O)c1 ZINC001140857753 1378159496 /nfs/dbraw/zinc/15/94/96/1378159496.db2.gz YYZDRORBMBICPN-IBGZPJMESA-N 1 0 347.503 3.070 20 10 EGCDRO CN(C)c1ccc(CN2CCN(Cc3cccnc3)CC2)c(Cl)c1 ZINC001140921949 1378180840 /nfs/dbraw/zinc/18/08/40/1378180840.db2.gz XHHAUFFYNWFZRM-UHFFFAOYSA-N 1 0 344.890 3.119 20 10 EGCDRO CN(C)c1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c(Cl)c1 ZINC001140924100 1378181778 /nfs/dbraw/zinc/18/17/78/1378181778.db2.gz DGJNADUBQAMNBG-UHFFFAOYSA-N 1 0 331.847 3.107 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(Cl)c1 ZINC001140925595 1378181837 /nfs/dbraw/zinc/18/18/37/1378181837.db2.gz SCAKBXMZIMWSHR-UHFFFAOYSA-N 1 0 349.906 3.383 20 10 EGCDRO CN(C)c1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c(Cl)c1 ZINC001140927312 1378183321 /nfs/dbraw/zinc/18/33/21/1378183321.db2.gz MUZYCOXWQOYAOV-ROUUACIJSA-N 1 0 339.886 3.414 20 10 EGCDRO Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925847 1378183379 /nfs/dbraw/zinc/18/33/79/1378183379.db2.gz FBOQRUYCLOZEAY-MRXNPFEDSA-N 1 0 346.862 3.158 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2O)[C@H]1c1ccccc1 ZINC001140953776 1378191526 /nfs/dbraw/zinc/19/15/26/1378191526.db2.gz DLRFSIKOLIPAAK-HKUYNNGSSA-N 1 0 325.408 3.437 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC[C@]1(C)O ZINC001141074406 1378232796 /nfs/dbraw/zinc/23/27/96/1378232796.db2.gz HOMPTUWSEXXOLH-IERDGZPVSA-N 1 0 328.500 3.368 20 10 EGCDRO c1c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc2c3c1CCCN3CCC2 ZINC001141078008 1378233675 /nfs/dbraw/zinc/23/36/75/1378233675.db2.gz INQGRXMGRIOKJL-NRFANRHFSA-N 1 0 326.484 3.388 20 10 EGCDRO COc1cccc(CC[N@H+](C)Cc2ccc3c(c2)OCCN3C)c1 ZINC001141143807 1378248427 /nfs/dbraw/zinc/24/84/27/1378248427.db2.gz KZQVUOMBOKRDMB-UHFFFAOYSA-N 1 0 326.440 3.198 20 10 EGCDRO CN1CCOc2cc(C[N@H+]3CCN(C)[C@H](c4ccccc4)C3)ccc21 ZINC001141143417 1378248585 /nfs/dbraw/zinc/24/85/85/1378248585.db2.gz YJHBPHOLQQKEBL-FQEVSTJZSA-N 1 0 337.467 3.004 20 10 EGCDRO COc1ccccc1CC[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143520 1378248623 /nfs/dbraw/zinc/24/86/23/1378248623.db2.gz CEAGBENZLHYKPG-UHFFFAOYSA-N 1 0 326.440 3.198 20 10 EGCDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2O)cc1OC ZINC001141158768 1378253618 /nfs/dbraw/zinc/25/36/18/1378253618.db2.gz MTLRNWWTAWCRIW-MRXNPFEDSA-N 1 0 329.396 3.452 20 10 EGCDRO CC[N@H+](Cc1cc(O)ccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001141160925 1378254937 /nfs/dbraw/zinc/25/49/37/1378254937.db2.gz JOFAYOZFIVBABL-GOSISDBHSA-N 1 0 326.440 3.194 20 10 EGCDRO Oc1cc(F)c(F)cc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001142531443 1378454589 /nfs/dbraw/zinc/45/45/89/1378454589.db2.gz XPNYTAVSQNAVRV-HNAYVOBHSA-N 1 0 344.405 3.377 20 10 EGCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001142910905 1378508031 /nfs/dbraw/zinc/50/80/31/1378508031.db2.gz RZRRJBWTOKACTP-UHFFFAOYSA-N 1 0 326.440 3.100 20 10 EGCDRO COc1cccc(C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1 ZINC001144516391 1378739814 /nfs/dbraw/zinc/73/98/14/1378739814.db2.gz XHRMEBZJXUVMRF-UHFFFAOYSA-N 1 0 329.396 3.192 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc3sccc3[nH]2)cc1C ZINC001146607364 1378876787 /nfs/dbraw/zinc/87/67/87/1378876787.db2.gz DQMKZGMUQBJACV-UHFFFAOYSA-N 1 0 343.452 3.066 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCCC[C@@H]2C)cc1C ZINC001153252017 1380044875 /nfs/dbraw/zinc/04/48/75/1380044875.db2.gz DTQQMVVHSRUNNY-MAUKXSAKSA-N 1 0 332.488 3.426 20 10 EGCDRO CSCc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001156659385 1380605924 /nfs/dbraw/zinc/60/59/24/1380605924.db2.gz LAAOXGLJBQIQPY-UHFFFAOYSA-N 1 0 342.512 3.309 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001157435450 1380891587 /nfs/dbraw/zinc/89/15/87/1380891587.db2.gz SQCJLYSLJLIMPJ-GLJUWKHASA-N 1 0 330.472 3.137 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC001328659720 1388799747 /nfs/dbraw/zinc/79/97/47/1388799747.db2.gz MUMZCJDVMDBEDK-ZIAGYGMSSA-N 1 0 337.485 3.053 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)cc1 ZINC001163088291 1382961831 /nfs/dbraw/zinc/96/18/31/1382961831.db2.gz CBEJQFQNNWQFOR-QGZVFWFLSA-N 1 0 325.456 3.275 20 10 EGCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)/C=C\C3CC3)CC2)cc1C ZINC001163944937 1383138384 /nfs/dbraw/zinc/13/83/84/1383138384.db2.gz NETFEMIUNOWHKQ-VURMDHGXSA-N 1 0 342.483 3.346 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@]2(C)CCC[C@@H]2C)cc1C ZINC001166054461 1383383615 /nfs/dbraw/zinc/38/36/15/1383383615.db2.gz RRHBAGXWRLZYHZ-JXFKEZNVSA-N 1 0 332.488 3.426 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)c2ccsc2)cc1C ZINC001166491509 1383428760 /nfs/dbraw/zinc/42/87/60/1383428760.db2.gz CAIAIJIONMRJQP-HNNXBMFYSA-N 1 0 346.496 3.465 20 10 EGCDRO Cc1ncc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2n1 ZINC001167434326 1383632532 /nfs/dbraw/zinc/63/25/32/1383632532.db2.gz JDHZAYZLOWMEJO-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO COC(=O)c1c(C)c(OC)ccc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167624883 1383691423 /nfs/dbraw/zinc/69/14/23/1383691423.db2.gz IAYKAVMXUNGCHA-UHFFFAOYSA-N 1 0 334.460 3.275 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@@]2(C)C(C)C)cc1C ZINC001169766270 1384184453 /nfs/dbraw/zinc/18/44/53/1384184453.db2.gz PMPDLGQKBRWLCG-XLIONFOSSA-N 1 0 332.488 3.282 20 10 EGCDRO CC(C)C1=[NH+]CCc2ccc(NCC(=O)c3ccc(O)c(O)c3)cc21 ZINC001170322697 1384290609 /nfs/dbraw/zinc/29/06/09/1384290609.db2.gz MNVDHROJOIVZEY-UHFFFAOYSA-N 1 0 338.407 3.394 20 10 EGCDRO Fc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001170948528 1384416689 /nfs/dbraw/zinc/41/66/89/1384416689.db2.gz IBZIEKFVYIVVMS-SFHVURJKSA-N 1 0 340.442 3.309 20 10 EGCDRO O=C(C[NH2+][C@H]1CCc2c(Cl)cccc2C1)c1ccc(O)c(O)c1 ZINC001171023464 1384431960 /nfs/dbraw/zinc/43/19/60/1384431960.db2.gz XOUGBBDKTDJCBJ-ZDUSSCGKSA-N 1 0 331.799 3.081 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)c2ccccc2)cc1C ZINC001171656840 1384593908 /nfs/dbraw/zinc/59/39/08/1384593908.db2.gz ZHVHQKDBQOXFDD-QGZVFWFLSA-N 1 0 340.467 3.403 20 10 EGCDRO COc1ccc(N2CC[NH+]([C@@H]3Cc4cccc(F)c4C3)CC2)c(C)c1 ZINC001171809923 1384644648 /nfs/dbraw/zinc/64/46/48/1384644648.db2.gz NDDVTNLNROCWCZ-QGZVFWFLSA-N 1 0 340.442 3.432 20 10 EGCDRO COC(=O)[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001172615709 1384820025 /nfs/dbraw/zinc/82/00/25/1384820025.db2.gz HJEOMRBXXFPOQM-MJGOQNOKSA-N 1 0 330.472 3.450 20 10 EGCDRO CC(C)OC(=O)CC[C@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001172746916 1384842652 /nfs/dbraw/zinc/84/26/52/1384842652.db2.gz WCNYMOMOUKQWGK-INIZCTEOSA-N 1 0 348.487 3.067 20 10 EGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](O)CCc2ccccc2)cc1F ZINC001329157365 1388994725 /nfs/dbraw/zinc/99/47/25/1388994725.db2.gz WLPWJIHZJXMXQU-INIZCTEOSA-N 1 0 334.410 3.114 20 10 EGCDRO C[NH+](C)CCn1cc(Nc2ccccc2C(=O)c2ccccc2)cn1 ZINC001176446432 1385590024 /nfs/dbraw/zinc/59/00/24/1385590024.db2.gz ZCEISDCPFCXVLC-UHFFFAOYSA-N 1 0 334.423 3.419 20 10 EGCDRO C[NH+](C)CCn1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)cn1 ZINC001176449933 1385591093 /nfs/dbraw/zinc/59/10/93/1385591093.db2.gz WXTDQFUBHWRRDR-UHFFFAOYSA-N 1 0 336.443 3.079 20 10 EGCDRO CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237512 1385879638 /nfs/dbraw/zinc/87/96/38/1385879638.db2.gz BZYAQTGGJPUORF-CQSZACIVSA-N 1 0 347.463 3.241 20 10 EGCDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC001319858104 1386338118 /nfs/dbraw/zinc/33/81/18/1386338118.db2.gz RAPWPMUAVLONOT-OAHLLOKOSA-N 1 0 335.467 3.239 20 10 EGCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001320429154 1386607753 /nfs/dbraw/zinc/60/77/53/1386607753.db2.gz HZCUEFHPHPRHJC-ICSRJNTNSA-N 1 0 330.472 3.498 20 10 EGCDRO Cc1occc1C[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320493615 1386625871 /nfs/dbraw/zinc/62/58/71/1386625871.db2.gz BRPKHLQRVOYKAF-UHFFFAOYSA-N 1 0 331.435 3.111 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(C)CN(C(=O)C3CCC3)C[C@H]2C)cc1C ZINC001180388435 1386781166 /nfs/dbraw/zinc/78/11/66/1386781166.db2.gz UZVPBMAQQQSVDD-IIBYNOLFSA-N 1 0 344.499 3.378 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C12CC[NH+](CC1)CC2 ZINC001181556038 1387016113 /nfs/dbraw/zinc/01/61/13/1387016113.db2.gz WEPVPMDHLOQQFQ-SFHVURJKSA-N 1 0 342.483 3.235 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182015823 1387094480 /nfs/dbraw/zinc/09/44/80/1387094480.db2.gz QSPSGKGOTLTUHF-APWZRJJASA-N 1 0 342.483 3.090 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC001329711399 1389206533 /nfs/dbraw/zinc/20/65/33/1389206533.db2.gz WJCNYISSPZPELV-NSHDSACASA-N 1 0 326.234 3.346 20 10 EGCDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329847302 1389236073 /nfs/dbraw/zinc/23/60/73/1389236073.db2.gz DOXCGXQNONCURS-INIZCTEOSA-N 1 0 339.524 3.151 20 10 EGCDRO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001337026153 1389239662 /nfs/dbraw/zinc/23/96/62/1389239662.db2.gz NUIWRIQDMZROPN-GOSISDBHSA-N 1 0 341.499 3.168 20 10 EGCDRO CN(C)c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC001344366799 1390787000 /nfs/dbraw/zinc/78/70/00/1390787000.db2.gz QORSXUQYFYOIFZ-INIZCTEOSA-N 1 0 341.421 3.442 20 10 EGCDRO CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001752690818 1440200403 /nfs/dbraw/zinc/20/04/03/1440200403.db2.gz HCVVSQPETGEGAJ-WKILWMFISA-N 1 0 345.447 3.136 20 10 EGCDRO C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001754027395 1440533337 /nfs/dbraw/zinc/53/33/37/1440533337.db2.gz XPGLMIORNBYEPH-CYBMUJFWSA-N 1 0 347.463 3.383 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccccc2)C2CC2)cc1C ZINC001754435076 1440597900 /nfs/dbraw/zinc/59/79/00/1440597900.db2.gz IRVDYLHRGJZIFW-IBGZPJMESA-N 1 0 338.451 3.302 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001593197714 994165057 /nfs/dbraw/zinc/16/50/57/994165057.db2.gz KXVBDSDJTKEORN-YCPHGPKFSA-N 1 0 346.471 3.394 20 10 EGCDRO C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594227275 998871646 /nfs/dbraw/zinc/87/16/46/998871646.db2.gz ZUWONUCVWMWUIZ-BZUAXINKSA-N 1 0 348.487 3.499 20 10 EGCDRO Oc1ccc(Br)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000092648312 454599920 /nfs/dbraw/zinc/59/99/20/454599920.db2.gz MWJYLGZCQZLHSI-UHFFFAOYSA-N 1 0 336.233 3.188 20 10 EGCDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)o1 ZINC000183392819 455287374 /nfs/dbraw/zinc/28/73/74/455287374.db2.gz PCWIDSWHZCERSC-WBVHZDCISA-N 1 0 330.428 3.018 20 10 EGCDRO Cc1cc(CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)no1 ZINC000052583409 453838212 /nfs/dbraw/zinc/83/82/12/453838212.db2.gz PVLCKJCFFRYIRL-UHFFFAOYSA-N 1 0 337.423 3.160 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057174222 454108865 /nfs/dbraw/zinc/10/88/65/454108865.db2.gz UEZWRTFJWUPGSK-LJQANCHMSA-N 1 0 338.451 3.263 20 10 EGCDRO C[N@H+](Cc1ccccc1O)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000120038364 454250715 /nfs/dbraw/zinc/25/07/15/454250715.db2.gz YRUJXUXMGPYLBZ-UHFFFAOYSA-N 1 0 337.322 3.354 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C[C@H](O)c3ccco3)CC2)cc1 ZINC000120853806 454356641 /nfs/dbraw/zinc/35/66/41/454356641.db2.gz ZRKFFGRXVQNJHR-BEFAXECRSA-N 1 0 344.455 3.359 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCN(C)C3CCCC3)CC2)cc1 ZINC000133248691 454404061 /nfs/dbraw/zinc/40/40/61/454404061.db2.gz FFCMOYZEEKUECF-UHFFFAOYSA-N 1 0 331.504 3.128 20 10 EGCDRO CC(C)CC[NH+]1CCC(CNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000080217185 454551225 /nfs/dbraw/zinc/55/12/25/454551225.db2.gz WPHLVWZZVYQFSU-UHFFFAOYSA-N 1 0 347.503 3.292 20 10 EGCDRO C[NH+](C)CCC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092381053 454558174 /nfs/dbraw/zinc/55/81/74/454558174.db2.gz GESOKKQJTHLRIN-UHFFFAOYSA-N 1 0 341.839 3.118 20 10 EGCDRO Oc1ccccc1C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000105485892 454641358 /nfs/dbraw/zinc/64/13/58/454641358.db2.gz PEYLTWKUCOJSTC-GOSISDBHSA-N 1 0 346.858 3.209 20 10 EGCDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1)CC(F)(F)F ZINC000093770799 454734668 /nfs/dbraw/zinc/73/46/68/454734668.db2.gz HQNXWMLFVTUYGN-INIZCTEOSA-N 1 0 343.437 3.459 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000093841940 454738967 /nfs/dbraw/zinc/73/89/67/454738967.db2.gz JIKFYDJSEPASGV-HXUWFJFHSA-N 1 0 332.488 3.303 20 10 EGCDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC000093869959 454743478 /nfs/dbraw/zinc/74/34/78/454743478.db2.gz VQAQOFAAXYARFI-IBGZPJMESA-N 1 0 338.499 3.475 20 10 EGCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109769134 454835721 /nfs/dbraw/zinc/83/57/21/454835721.db2.gz ACPPZOURABCEMN-OAHLLOKOSA-N 1 0 334.460 3.471 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000177227660 454839012 /nfs/dbraw/zinc/83/90/12/454839012.db2.gz WNTGUXCSBZENHF-GFCCVEGCSA-N 1 0 328.378 3.430 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1C ZINC000184899500 455469140 /nfs/dbraw/zinc/46/91/40/455469140.db2.gz PLOBAOJPMYIEGV-OAHLLOKOSA-N 1 0 331.485 3.344 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000167860014 454923561 /nfs/dbraw/zinc/92/35/61/454923561.db2.gz BAXUABVFKQNCMK-ROUUACIJSA-N 1 0 329.488 3.057 20 10 EGCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000167859913 454923603 /nfs/dbraw/zinc/92/36/03/454923603.db2.gz BAXUABVFKQNCMK-MSOLQXFVSA-N 1 0 329.488 3.057 20 10 EGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC000151118953 454939864 /nfs/dbraw/zinc/93/98/64/454939864.db2.gz HAVTUJBNPMIFLO-LLVKDONJSA-N 1 0 334.304 3.093 20 10 EGCDRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2O)c(-n2cc(Cl)cn2)n1 ZINC000191502328 455492284 /nfs/dbraw/zinc/49/22/84/455492284.db2.gz RNCOMCRDYDIMSG-UHFFFAOYSA-N 1 0 346.793 3.364 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1O ZINC000114509028 454959070 /nfs/dbraw/zinc/95/90/70/454959070.db2.gz JOYKBZMTXAYAPN-SFHVURJKSA-N 1 0 337.366 3.066 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000155192807 454973269 /nfs/dbraw/zinc/97/32/69/454973269.db2.gz DUNUXKSYYCCTRM-UHFFFAOYSA-N 1 0 344.455 3.410 20 10 EGCDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179567988 455058823 /nfs/dbraw/zinc/05/88/23/455058823.db2.gz XRJPQVNXWUAUMU-UHFFFAOYSA-N 1 0 328.387 3.382 20 10 EGCDRO CC[NH+](CC)CCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000171727518 455089415 /nfs/dbraw/zinc/08/94/15/455089415.db2.gz OEGMPAOGIXRHLF-UHFFFAOYSA-N 1 0 342.487 3.341 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000171903028 455101788 /nfs/dbraw/zinc/10/17/88/455101788.db2.gz WBHSYSPENCDZFQ-UHFFFAOYSA-N 1 0 346.519 3.205 20 10 EGCDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)nc1 ZINC000179938212 455102410 /nfs/dbraw/zinc/10/24/10/455102410.db2.gz JRFIYJIOQHZUAT-AWEZNQCLSA-N 1 0 343.402 3.085 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCOCc3ccccc3)CC2)cc1 ZINC000156945770 455158235 /nfs/dbraw/zinc/15/82/35/455158235.db2.gz LBRPKQVTLZAOLQ-UHFFFAOYSA-N 1 0 340.467 3.470 20 10 EGCDRO Cc1cccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)c1 ZINC000183415573 455290221 /nfs/dbraw/zinc/29/02/21/455290221.db2.gz YBAVKOZXEXPCDB-XLIONFOSSA-N 1 0 340.467 3.425 20 10 EGCDRO CCOC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000189344978 455180576 /nfs/dbraw/zinc/18/05/76/455180576.db2.gz NCZUONPJVJNJBX-CRAIPNDOSA-N 1 0 338.467 3.374 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000180488961 455181330 /nfs/dbraw/zinc/18/13/30/455181330.db2.gz HKISUUUHLTZKIF-QGZVFWFLSA-N 1 0 342.439 3.486 20 10 EGCDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1O ZINC000183417600 455290659 /nfs/dbraw/zinc/29/06/59/455290659.db2.gz ZMSHAYQXCGZSPE-AWEZNQCLSA-N 1 0 342.414 3.487 20 10 EGCDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccc1O ZINC000183474472 455297790 /nfs/dbraw/zinc/29/77/90/455297790.db2.gz UXZLRWHMTGLYFS-LPHOPBHVSA-N 1 0 338.451 3.277 20 10 EGCDRO COc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1C ZINC000264975876 455298263 /nfs/dbraw/zinc/29/82/63/455298263.db2.gz SBSBGLGTWPEKBC-UHFFFAOYSA-N 1 0 327.403 3.362 20 10 EGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)C12CCC2 ZINC000160429003 455457981 /nfs/dbraw/zinc/45/79/81/455457981.db2.gz OYJWXXVVQWUQEB-ROUUACIJSA-N 1 0 335.444 3.189 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 ZINC000185063192 455494444 /nfs/dbraw/zinc/49/44/44/455494444.db2.gz GELJSUUDYOYNOH-KRWDZBQOSA-N 1 0 340.467 3.384 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1O ZINC000185072382 455495835 /nfs/dbraw/zinc/49/58/35/455495835.db2.gz KBHMWSMMPRHZBJ-ZDUSSCGKSA-N 1 0 348.393 3.358 20 10 EGCDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000185120857 455505162 /nfs/dbraw/zinc/50/51/62/455505162.db2.gz PGWNVXSYHURZKQ-GDIGMMSISA-N 1 0 341.430 3.043 20 10 EGCDRO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000185120873 455505297 /nfs/dbraw/zinc/50/52/97/455505297.db2.gz PGWNVXSYHURZKQ-NIKGAXFTSA-N 1 0 341.430 3.043 20 10 EGCDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000160934808 455515930 /nfs/dbraw/zinc/51/59/30/455515930.db2.gz XYCRDGGQRRMVIO-HNNXBMFYSA-N 1 0 346.496 3.148 20 10 EGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(=O)NC(C)(C)C ZINC000185217782 455523323 /nfs/dbraw/zinc/52/33/23/455523323.db2.gz KVEDKCITGPOJQX-NXEZZACHSA-N 1 0 343.265 3.109 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000185321544 455539179 /nfs/dbraw/zinc/53/91/79/455539179.db2.gz ZYGPFBBRETVRJM-OAHLLOKOSA-N 1 0 328.460 3.302 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000185321562 455539432 /nfs/dbraw/zinc/53/94/32/455539432.db2.gz ZYGPFBBRETVRJM-HNNXBMFYSA-N 1 0 328.460 3.302 20 10 EGCDRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(C)cc3O)CC2)ncn1 ZINC000185643045 455588525 /nfs/dbraw/zinc/58/85/25/455588525.db2.gz JWZBVOMAIJFDST-OAHLLOKOSA-N 1 0 340.471 3.373 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c1 ZINC000185649771 455589816 /nfs/dbraw/zinc/58/98/16/455589816.db2.gz JZMGYEHZTBFONG-AWEZNQCLSA-N 1 0 333.453 3.096 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000185660623 455591221 /nfs/dbraw/zinc/59/12/21/455591221.db2.gz JYADTGQQPDIERM-GFCCVEGCSA-N 1 0 338.448 3.355 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn[nH]c1 ZINC000283943267 455614204 /nfs/dbraw/zinc/61/42/04/455614204.db2.gz FLVWOESSHOHXBI-GXTWGEPZSA-N 1 0 336.386 3.331 20 10 EGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284162616 455644957 /nfs/dbraw/zinc/64/49/57/455644957.db2.gz PXBJEAAVLQVGFM-IFXJQAMLSA-N 1 0 345.439 3.410 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000271541851 455678831 /nfs/dbraw/zinc/67/88/31/455678831.db2.gz YPMLCHXUTNWRBB-OXQOHEQNSA-N 1 0 337.467 3.204 20 10 EGCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000268779997 455712730 /nfs/dbraw/zinc/71/27/30/455712730.db2.gz PHLCIACQUBSKJO-CHWSQXEVSA-N 1 0 346.393 3.055 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000268795875 455714272 /nfs/dbraw/zinc/71/42/72/455714272.db2.gz DJWVGPPDABFIDL-OAHLLOKOSA-N 1 0 337.467 3.496 20 10 EGCDRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268820581 455714638 /nfs/dbraw/zinc/71/46/38/455714638.db2.gz JVQLNRHKUFHJCH-OAHLLOKOSA-N 1 0 336.451 3.008 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)cc1 ZINC000268836291 455715887 /nfs/dbraw/zinc/71/58/87/455715887.db2.gz BGUNGZUQESZTJG-GOSISDBHSA-N 1 0 345.531 3.438 20 10 EGCDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268951675 455741623 /nfs/dbraw/zinc/74/16/23/455741623.db2.gz VHWFBQASBRDPIT-AUUYWEPGSA-N 1 0 338.467 3.110 20 10 EGCDRO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000292767061 455752350 /nfs/dbraw/zinc/75/23/50/455752350.db2.gz JHCQOSRGNVRYDE-KBXCAEBGSA-N 1 0 342.414 3.325 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CCSC3(CCOCC3)C2)c1O ZINC000186489959 455780467 /nfs/dbraw/zinc/78/04/67/455780467.db2.gz UTHQHAPYTDAGGL-UHFFFAOYSA-N 1 0 343.876 3.152 20 10 EGCDRO COc1ccc(O)c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1 ZINC000293532550 455789728 /nfs/dbraw/zinc/78/97/28/455789728.db2.gz BYCFTQITAKSKGI-UHFFFAOYSA-N 1 0 326.318 3.147 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000293629588 455793453 /nfs/dbraw/zinc/79/34/53/455793453.db2.gz LJFPGJPYEIRYNS-FQEVSTJZSA-N 1 0 346.515 3.190 20 10 EGCDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293782812 455797501 /nfs/dbraw/zinc/79/75/01/455797501.db2.gz QFXILZCRCIVKTQ-OAHLLOKOSA-N 1 0 342.439 3.098 20 10 EGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1nnc2n1CCC2 ZINC000293861834 455799647 /nfs/dbraw/zinc/79/96/47/455799647.db2.gz UNOSCKHPONTXSF-SFHVURJKSA-N 1 0 348.450 3.394 20 10 EGCDRO CC(C)(C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C(N)=O ZINC000294662342 455822655 /nfs/dbraw/zinc/82/26/55/455822655.db2.gz HIYRKYLXSSPJFI-QGZVFWFLSA-N 1 0 326.440 3.167 20 10 EGCDRO COC1CCN(c2ccc(C[NH2+][C@H](CO)c3ccccc3)cc2)CC1 ZINC000294916866 455832264 /nfs/dbraw/zinc/83/22/64/455832264.db2.gz GFTISTNEOUEUCU-OAQYLSRUSA-N 1 0 340.467 3.125 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000278405836 455835157 /nfs/dbraw/zinc/83/51/57/455835157.db2.gz PCYRSTDJYCPZJT-DOMZBBRYSA-N 1 0 334.357 3.027 20 10 EGCDRO COc1c(O)c(C[NH2+][C@H](C)c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000278507185 455837498 /nfs/dbraw/zinc/83/74/98/455837498.db2.gz OZNQQHOAHMIOGB-SECBINFHSA-N 1 0 338.310 3.438 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1O ZINC000278664379 455844427 /nfs/dbraw/zinc/84/44/27/455844427.db2.gz KVHDJWRMYWXVHU-CQSZACIVSA-N 1 0 325.767 3.017 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000278926151 455853673 /nfs/dbraw/zinc/85/36/73/455853673.db2.gz WZYDLPQGDVZCDG-ABSDTBQOSA-N 1 0 332.488 3.258 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)CC(C)(C)C3)cc2)CC1 ZINC000296082223 455868705 /nfs/dbraw/zinc/86/87/05/455868705.db2.gz PGLNGTPOKMJCJJ-LJQANCHMSA-N 1 0 346.515 3.285 20 10 EGCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(-c3ccccc3)ccc1O)CCO2 ZINC000279704472 455871575 /nfs/dbraw/zinc/87/15/75/455871575.db2.gz RPZNCTYCFWLTQS-HRAATJIYSA-N 1 0 339.435 3.439 20 10 EGCDRO CCOc1cccc(C[NH2+]Cc2ccc(OCCCOC)cc2)c1O ZINC000285711464 455901239 /nfs/dbraw/zinc/90/12/39/455901239.db2.gz WLXKCHFTUKRZSA-UHFFFAOYSA-N 1 0 345.439 3.496 20 10 EGCDRO CCCN(Cc1cn(C)nc1-c1cccnc1)c1ccc(C[NH3+])cc1 ZINC000194977577 455907931 /nfs/dbraw/zinc/90/79/31/455907931.db2.gz IVBWIRIODBFKAP-UHFFFAOYSA-N 1 0 335.455 3.357 20 10 EGCDRO Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296464358 455945252 /nfs/dbraw/zinc/94/52/52/455945252.db2.gz NKYSDBYUNFRFMN-ZDUSSCGKSA-N 1 0 349.475 3.321 20 10 EGCDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187839017 455960598 /nfs/dbraw/zinc/96/05/98/455960598.db2.gz SKUQPHLTXFXWMD-OYLFLEFRSA-N 1 0 347.480 3.170 20 10 EGCDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000272474974 455963405 /nfs/dbraw/zinc/96/34/05/455963405.db2.gz AETBUJVXQRTYKF-CYBMUJFWSA-N 1 0 331.439 3.136 20 10 EGCDRO COc1ccc(O)c(C[NH2+]CCCOCCOCc2ccccc2)c1 ZINC000272510265 455977084 /nfs/dbraw/zinc/97/70/84/455977084.db2.gz ITRYZAIEHMIQSW-UHFFFAOYSA-N 1 0 345.439 3.114 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1 ZINC000280487492 455980889 /nfs/dbraw/zinc/98/08/89/455980889.db2.gz ONGLPXBDCVTQKL-QGZVFWFLSA-N 1 0 332.488 3.303 20 10 EGCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1c1c(F)cccc1F ZINC000296739580 456025719 /nfs/dbraw/zinc/02/57/19/456025719.db2.gz JGMATMRQLWGSNI-SWLSCSKDSA-N 1 0 344.361 3.053 20 10 EGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc2ccccc2c1O ZINC000280871403 456069146 /nfs/dbraw/zinc/06/91/46/456069146.db2.gz CVKGAYOBPKEHJZ-CYBMUJFWSA-N 1 0 333.453 3.163 20 10 EGCDRO COc1cccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)c1O ZINC000289429105 456124700 /nfs/dbraw/zinc/12/47/00/456124700.db2.gz KIWNAKYEGLIRAG-UHFFFAOYSA-N 1 0 329.425 3.277 20 10 EGCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000289463420 456125993 /nfs/dbraw/zinc/12/59/93/456125993.db2.gz CRKRDPKAEDYTOE-OALUTQOASA-N 1 0 329.488 3.023 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)c(O)c1 ZINC000289762156 456140678 /nfs/dbraw/zinc/14/06/78/456140678.db2.gz RAYJBRVWKTXJGT-INIZCTEOSA-N 1 0 334.460 3.062 20 10 EGCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236732601 456176146 /nfs/dbraw/zinc/17/61/46/456176146.db2.gz ZJLTXCRDTDHIPL-HNAYVOBHSA-N 1 0 326.440 3.467 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289967784 456198868 /nfs/dbraw/zinc/19/88/68/456198868.db2.gz VXFJPAHZTIDYCU-UYAOXDASSA-N 1 0 327.424 3.047 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000273304107 456222191 /nfs/dbraw/zinc/22/21/91/456222191.db2.gz CIZQEBZTOXUCCK-INIZCTEOSA-N 1 0 326.440 3.388 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000273435200 456230262 /nfs/dbraw/zinc/23/02/62/456230262.db2.gz WUAIPJICESAHID-WBVHZDCISA-N 1 0 326.440 3.326 20 10 EGCDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Br)ccc1O ZINC000273502172 456234641 /nfs/dbraw/zinc/23/46/41/456234641.db2.gz QKLDKJMHCCJQAN-HQJQHLMTSA-N 1 0 342.155 3.119 20 10 EGCDRO O=C([C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1)N1CCCC1 ZINC000290499494 456346153 /nfs/dbraw/zinc/34/61/53/456346153.db2.gz PBJSCIVZQYVCNW-IBGZPJMESA-N 1 0 341.499 3.121 20 10 EGCDRO COc1cccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1O ZINC000282290741 456468250 /nfs/dbraw/zinc/46/82/50/456468250.db2.gz RBLHKZVCPCDTQS-UHFFFAOYSA-N 1 0 342.317 3.027 20 10 EGCDRO CC[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)ccc1O ZINC000282328085 456478367 /nfs/dbraw/zinc/47/83/67/456478367.db2.gz NYIZBNSBLWUQOX-HXPMCKFVSA-N 1 0 346.290 3.107 20 10 EGCDRO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000291353091 456615165 /nfs/dbraw/zinc/61/51/65/456615165.db2.gz XMPMZBZBIMXTRU-NRFANRHFSA-N 1 0 338.451 3.396 20 10 EGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000276924579 456622141 /nfs/dbraw/zinc/62/21/41/456622141.db2.gz RIIWDJOKCUIZAW-KSSFIOAISA-N 1 0 338.467 3.108 20 10 EGCDRO COc1cc([N+](=O)[O-])c(N2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000277110639 456684038 /nfs/dbraw/zinc/68/40/38/456684038.db2.gz NAGQARJPNYVDGK-UHFFFAOYSA-N 1 0 349.431 3.067 20 10 EGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000362952741 457171984 /nfs/dbraw/zinc/17/19/84/457171984.db2.gz QGYIBKKGFYJDMH-LJQANCHMSA-N 1 0 336.483 3.422 20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cc2c(cc1O)CCCC2 ZINC000369901170 457451430 /nfs/dbraw/zinc/45/14/30/457451430.db2.gz FJZKMQPUUVLWLK-JNAXZKDPSA-N 1 0 331.456 3.260 20 10 EGCDRO Fc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000364638927 457663474 /nfs/dbraw/zinc/66/34/74/457663474.db2.gz SUJWYGSKFUPYQT-LJQANCHMSA-N 1 0 342.414 3.276 20 10 EGCDRO COc1cccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1O ZINC000371327204 457868610 /nfs/dbraw/zinc/86/86/10/457868610.db2.gz MJNUIYPAIYISKE-UHFFFAOYSA-N 1 0 325.408 3.422 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000371422669 457923751 /nfs/dbraw/zinc/92/37/51/457923751.db2.gz GVGLCYZCOACLPZ-UKRRQHHQSA-N 1 0 340.414 3.414 20 10 EGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371466549 457945726 /nfs/dbraw/zinc/94/57/26/457945726.db2.gz PXECERUOFMQMPH-LBPRGKRZSA-N 1 0 332.835 3.421 20 10 EGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C[NH3+])CC(C)C)ccc21 ZINC000568525647 459303486 /nfs/dbraw/zinc/30/34/86/459303486.db2.gz WINMGCMGKVWAQV-QGZVFWFLSA-N 1 0 345.487 3.008 20 10 EGCDRO CC(C)[N@H+](C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000726189825 574544769 /nfs/dbraw/zinc/54/47/69/574544769.db2.gz NLBKFKJETKISJP-UHFFFAOYSA-N 1 0 334.464 3.015 20 10 EGCDRO C[C@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000727468931 574669928 /nfs/dbraw/zinc/66/99/28/574669928.db2.gz PNJZGKYORGCCMO-HNNXBMFYSA-N 1 0 336.439 3.250 20 10 EGCDRO CC[N@H+](C)[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000729535228 574869112 /nfs/dbraw/zinc/86/91/12/574869112.db2.gz NMJQNAUISQQYLL-AUUYWEPGSA-N 1 0 342.439 3.271 20 10 EGCDRO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)on1 ZINC000731847090 575212339 /nfs/dbraw/zinc/21/23/39/575212339.db2.gz CIDKBKIPPAEALL-UHFFFAOYSA-N 1 0 329.400 3.072 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000731878731 575215818 /nfs/dbraw/zinc/21/58/18/575215818.db2.gz GMPKCEDPDOXFKV-QGZVFWFLSA-N 1 0 325.456 3.084 20 10 EGCDRO CN(c1ccc(NC(=O)C2=CC(=O)CS2)cc1)C1CC[NH+](C)CC1 ZINC000732273968 575252198 /nfs/dbraw/zinc/25/21/98/575252198.db2.gz MIBTUOZPWBFZOP-UHFFFAOYSA-N 1 0 345.468 3.236 20 10 EGCDRO CN(Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410996 575268161 /nfs/dbraw/zinc/26/81/61/575268161.db2.gz PHXGBXAIJQOGTM-UHFFFAOYSA-N 1 0 329.400 3.172 20 10 EGCDRO c1cc(C[NH2+]CC2(N3CCSCC3)CCCCC2)cc2c1OCC2 ZINC000732672536 575282133 /nfs/dbraw/zinc/28/21/33/575282133.db2.gz PYARAECCZJWGIZ-UHFFFAOYSA-N 1 0 346.540 3.463 20 10 EGCDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)Nc1ccc(Cl)cc1 ZINC000733325807 575327986 /nfs/dbraw/zinc/32/79/86/575327986.db2.gz YGDPKAWITJYXSH-UHFFFAOYSA-N 1 0 325.195 3.427 20 10 EGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1 ZINC000733327952 575328226 /nfs/dbraw/zinc/32/82/26/575328226.db2.gz MZMCKBQFYBHSRN-SFHVURJKSA-N 1 0 333.432 3.101 20 10 EGCDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000734150260 575443147 /nfs/dbraw/zinc/44/31/47/575443147.db2.gz UPLHBLJEYGKQBF-GOSISDBHSA-N 1 0 331.504 3.127 20 10 EGCDRO CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[NH+](CC)CC ZINC000735998087 575749805 /nfs/dbraw/zinc/74/98/05/575749805.db2.gz KMCLVMQWRVIALL-LJQANCHMSA-N 1 0 331.504 3.364 20 10 EGCDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Br)ccc1O ZINC000756629577 576160029 /nfs/dbraw/zinc/16/00/29/576160029.db2.gz PZAAJPAEHRWURE-VXGBXAGGSA-N 1 0 327.266 3.147 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741725033 576714115 /nfs/dbraw/zinc/71/41/15/576714115.db2.gz QRSGUMWMPODZIN-SUMWQHHRSA-N 1 0 343.446 3.446 20 10 EGCDRO C[NH+](C)CCCCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000743429148 576809093 /nfs/dbraw/zinc/80/90/93/576809093.db2.gz CSKNMRQRDPOJNY-UHFFFAOYSA-N 1 0 330.428 3.246 20 10 EGCDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743500263 576810549 /nfs/dbraw/zinc/81/05/49/576810549.db2.gz UYWJSICVBVUKSG-RDJZCZTQSA-N 1 0 349.475 3.472 20 10 EGCDRO C[NH+](C)CC(C)(C)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743543096 576811563 /nfs/dbraw/zinc/81/15/63/576811563.db2.gz GOKRFWRYNXISOJ-UHFFFAOYSA-N 1 0 348.491 3.263 20 10 EGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000701175431 1298184292 /nfs/dbraw/zinc/18/42/92/1298184292.db2.gz QJBAPTIPRIILQU-CQSZACIVSA-N 1 0 327.266 3.071 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)CCC3CC3)CC2)cc1 ZINC000769406262 1303108833 /nfs/dbraw/zinc/10/88/33/1303108833.db2.gz IMDBFUIMXXJBRK-GOSISDBHSA-N 1 0 345.531 3.376 20 10 EGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(C)cc1O ZINC000794804527 1309598483 /nfs/dbraw/zinc/59/84/83/1309598483.db2.gz UQURUAGNSRYDTK-CRAIPNDOSA-N 1 0 333.403 3.320 20 10 EGCDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000066704581 1292127246 /nfs/dbraw/zinc/12/72/46/1292127246.db2.gz IKLDQEKUPUIPIZ-KRWDZBQOSA-N 1 0 333.476 3.188 20 10 EGCDRO CCOCc1cc(C[NH2+][C@H]2CCC[C@]2(C)C(=O)OCC)ccc1OC ZINC000827750362 1292364899 /nfs/dbraw/zinc/36/48/99/1292364899.db2.gz FNEPCHKACIEQJS-ICSRJNTNSA-N 1 0 349.471 3.443 20 10 EGCDRO CN(c1ccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1)C1CCCCC1 ZINC000827820749 1292381358 /nfs/dbraw/zinc/38/13/58/1292381358.db2.gz CRSSNKLJNLIJHX-PZJWPPBQSA-N 1 0 341.499 3.071 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1F ZINC000076074493 1292419227 /nfs/dbraw/zinc/41/92/27/1292419227.db2.gz BPJGWRVNJFIYKU-INIZCTEOSA-N 1 0 333.403 3.183 20 10 EGCDRO Cc1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccc1N1CCCCC1 ZINC000828421003 1292461864 /nfs/dbraw/zinc/46/18/64/1292461864.db2.gz GOCCCVRRIVBSJW-UHFFFAOYSA-N 1 0 330.472 3.324 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)cc1F ZINC000829038141 1292531101 /nfs/dbraw/zinc/53/11/01/1292531101.db2.gz ANKIPOKPRGGJMA-UHFFFAOYSA-N 1 0 341.430 3.205 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1O ZINC000079434709 1292558425 /nfs/dbraw/zinc/55/84/25/1292558425.db2.gz MPKQDCGIMXEEFM-LJQANCHMSA-N 1 0 343.398 3.216 20 10 EGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c(C)c1)[C@@H]1CCCO1 ZINC000829326775 1292561749 /nfs/dbraw/zinc/56/17/49/1292561749.db2.gz CVUCZOHNOTXDOY-QUCCMNQESA-N 1 0 332.488 3.269 20 10 EGCDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C1=CC(=O)CS1 ZINC000830184888 1292680815 /nfs/dbraw/zinc/68/08/15/1292680815.db2.gz DJMPGZLDKIFDIQ-KBPBESRZSA-N 1 0 344.480 3.340 20 10 EGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Br)ccc1O ZINC000091892230 1292843923 /nfs/dbraw/zinc/84/39/23/1292843923.db2.gz ALPZJSUOUUPOFU-CABCVRRESA-N 1 0 339.277 3.213 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1ccccc1C ZINC000831705831 1292908759 /nfs/dbraw/zinc/90/87/59/1292908759.db2.gz GHMNMSRRFANAHS-PKOBYXMFSA-N 1 0 337.467 3.227 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1ccccc1C ZINC000831705828 1292909594 /nfs/dbraw/zinc/90/95/94/1292909594.db2.gz GHMNMSRRFANAHS-HKUYNNGSSA-N 1 0 337.467 3.227 20 10 EGCDRO NC(=O)c1csc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000093319353 1292915933 /nfs/dbraw/zinc/91/59/33/1292915933.db2.gz HYMBOESQBOPHCO-UHFFFAOYSA-N 1 0 330.453 3.497 20 10 EGCDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093360194 1292919455 /nfs/dbraw/zinc/91/94/55/1292919455.db2.gz ODRARHKDYPILNW-LLVKDONJSA-N 1 0 328.840 3.391 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000093499805 1292922660 /nfs/dbraw/zinc/92/26/60/1292922660.db2.gz LTGJHGJDRNBEIE-VHSXEESVSA-N 1 0 346.290 3.489 20 10 EGCDRO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000093529992 1292924565 /nfs/dbraw/zinc/92/45/65/1292924565.db2.gz SFLBHTONDUUUAR-KRWDZBQOSA-N 1 0 343.423 3.140 20 10 EGCDRO C[N@H+](CCc1nccs1)Cc1cc(Br)ccc1O ZINC000093843697 1292936296 /nfs/dbraw/zinc/93/62/96/1292936296.db2.gz ZQVKUVFTZRLGNH-UHFFFAOYSA-N 1 0 327.247 3.286 20 10 EGCDRO CC(C)[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000832266646 1292978613 /nfs/dbraw/zinc/97/86/13/1292978613.db2.gz HRMXXYCYGVPLQZ-UXHICEINSA-N 1 0 339.483 3.308 20 10 EGCDRO Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000832272040 1292979374 /nfs/dbraw/zinc/97/93/74/1292979374.db2.gz CEWLFDXPVKRPMG-KRWDZBQOSA-N 1 0 331.847 3.144 20 10 EGCDRO Cc1ccc(C[C@@H](C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832267239 1292979864 /nfs/dbraw/zinc/97/98/64/1292979864.db2.gz OPTUWGJRCCINHN-UZLBHIALSA-N 1 0 339.483 3.056 20 10 EGCDRO Cc1cccc2cc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)oc21 ZINC000832279255 1292980839 /nfs/dbraw/zinc/98/08/39/1292980839.db2.gz HZMHEFOFIVYBFG-KRWDZBQOSA-N 1 0 337.423 3.237 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)cc1 ZINC000832284680 1292982441 /nfs/dbraw/zinc/98/24/41/1292982441.db2.gz LZISNOOQOWZSRD-YGWPLHOASA-N 1 0 343.515 3.475 20 10 EGCDRO CN(CC(=O)N(C)c1nc2ccccc2s1)Cc1ccccc1O ZINC000111236165 1293101561 /nfs/dbraw/zinc/10/15/61/1293101561.db2.gz NIDZQRGJKKZAHT-UHFFFAOYSA-N 1 0 341.436 3.097 20 10 EGCDRO CCC(CC)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000834502937 1293107244 /nfs/dbraw/zinc/10/72/44/1293107244.db2.gz USTQLXXVPLCSOH-ROUUACIJSA-N 1 0 332.488 3.106 20 10 EGCDRO O=C1CCCN1C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834514241 1293108891 /nfs/dbraw/zinc/10/88/91/1293108891.db2.gz RTJBARUCZLHMDA-ZWKOTPCHSA-N 1 0 336.435 3.333 20 10 EGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(N2CCOCC2)cc1 ZINC000834534349 1293112506 /nfs/dbraw/zinc/11/25/06/1293112506.db2.gz MIIDKOWHGJAJKX-MPGHIAIKSA-N 1 0 326.444 3.076 20 10 EGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000834547923 1293115662 /nfs/dbraw/zinc/11/56/62/1293115662.db2.gz HYTRNEOCWVIEJD-KRWDZBQOSA-N 1 0 332.488 3.351 20 10 EGCDRO COc1ccc(N2CCC([NH2+]CCOCC3CCCC3)CC2)cc1 ZINC000834909991 1293174129 /nfs/dbraw/zinc/17/41/29/1293174129.db2.gz MVADXTQCDBKXAK-UHFFFAOYSA-N 1 0 332.488 3.460 20 10 EGCDRO C[C@@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCC(=O)N1 ZINC000834910516 1293174195 /nfs/dbraw/zinc/17/41/95/1293174195.db2.gz XANRGNLJDUSSLM-RXVVDRJESA-N 1 0 338.451 3.324 20 10 EGCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834912618 1293175503 /nfs/dbraw/zinc/17/55/03/1293175503.db2.gz SQKMMZUWOUUDKE-WBIUFABUSA-N 1 0 343.402 3.400 20 10 EGCDRO C[N@H+](Cc1cnc(C2CC2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000121323382 1293365864 /nfs/dbraw/zinc/36/58/64/1293365864.db2.gz RWSUCVWDGVIOFE-UHFFFAOYSA-N 1 0 343.496 3.489 20 10 EGCDRO COc1cccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1O ZINC000123941680 1293460836 /nfs/dbraw/zinc/46/08/36/1293460836.db2.gz QHORSRWKNVGGNS-UHFFFAOYSA-N 1 0 341.436 3.252 20 10 EGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124920291 1293488808 /nfs/dbraw/zinc/48/88/08/1293488808.db2.gz JQDPLPCCVFWXNV-INIZCTEOSA-N 1 0 335.467 3.020 20 10 EGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C3OCCO3)CC2)cc1F ZINC000130074064 1293643670 /nfs/dbraw/zinc/64/36/70/1293643670.db2.gz GSKCHEGBKGVPML-UHFFFAOYSA-N 1 0 336.451 3.257 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000130325949 1293652838 /nfs/dbraw/zinc/65/28/38/1293652838.db2.gz RIZZMKHPKFYQMP-UHFFFAOYSA-N 1 0 330.472 3.315 20 10 EGCDRO Cc1nc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)sc1C ZINC000133826440 1293754975 /nfs/dbraw/zinc/75/49/75/1293754975.db2.gz ANNHTXZMFBXZDV-UHFFFAOYSA-N 1 0 331.485 3.405 20 10 EGCDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000133886929 1293756352 /nfs/dbraw/zinc/75/63/52/1293756352.db2.gz AAFBYKHDTGCLAU-QGZVFWFLSA-N 1 0 325.456 3.227 20 10 EGCDRO CCCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000152980983 1293993819 /nfs/dbraw/zinc/99/38/19/1293993819.db2.gz BYDGHXUFBDVIPW-UHFFFAOYSA-N 1 0 331.504 3.271 20 10 EGCDRO COC(=O)c1cc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)oc1C ZINC000159575763 1294240863 /nfs/dbraw/zinc/24/08/63/1294240863.db2.gz GPIVLGXNNWXLIK-UHFFFAOYSA-N 1 0 333.384 3.029 20 10 EGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160102924 1294257933 /nfs/dbraw/zinc/25/79/33/1294257933.db2.gz JJWLTBXDKHTKPD-MRXNPFEDSA-N 1 0 344.499 3.399 20 10 EGCDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000165035392 1294355900 /nfs/dbraw/zinc/35/59/00/1294355900.db2.gz CTZGAHJVMLDTKD-OAHLLOKOSA-N 1 0 335.444 3.313 20 10 EGCDRO COC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccco1 ZINC000177573791 1294677355 /nfs/dbraw/zinc/67/73/55/1294677355.db2.gz YHBHRQVULPNMKZ-GFCCVEGCSA-N 1 0 326.190 3.225 20 10 EGCDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178489158 1294738210 /nfs/dbraw/zinc/73/82/10/1294738210.db2.gz GNOFLUQRYJHDHT-IRXDYDNUSA-N 1 0 329.488 3.338 20 10 EGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)n1 ZINC000179440399 1294796316 /nfs/dbraw/zinc/79/63/16/1294796316.db2.gz KRYNMRPGUAILIF-INIZCTEOSA-N 1 0 327.428 3.342 20 10 EGCDRO CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc(F)ccc1O ZINC000179882332 1294835565 /nfs/dbraw/zinc/83/55/65/1294835565.db2.gz APLFBWPZJULZBK-UHFFFAOYSA-N 1 0 338.329 3.270 20 10 EGCDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)c1 ZINC000180328604 1294880342 /nfs/dbraw/zinc/88/03/42/1294880342.db2.gz YSFUMKOUQHANEN-LJQANCHMSA-N 1 0 329.440 3.420 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000182382446 1295041642 /nfs/dbraw/zinc/04/16/42/1295041642.db2.gz MUTUAAPRZKZRAN-GJZGRUSLSA-N 1 0 336.476 3.382 20 10 EGCDRO CCN(C(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O)C1CCCCC1 ZINC000182426973 1295045716 /nfs/dbraw/zinc/04/57/16/1295045716.db2.gz TXAVMGQVBFLKCA-CQSZACIVSA-N 1 0 334.460 3.233 20 10 EGCDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1O ZINC000183396178 1295115471 /nfs/dbraw/zinc/11/54/71/1295115471.db2.gz JCMPMTWMNXOWEH-QFBILLFUSA-N 1 0 326.440 3.116 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1O ZINC000183453768 1295120400 /nfs/dbraw/zinc/12/04/00/1295120400.db2.gz AAEPAIUYQKOACG-BEFAXECRSA-N 1 0 344.430 3.255 20 10 EGCDRO C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1ccc2ccccc2c1O ZINC000185333881 1295255413 /nfs/dbraw/zinc/25/54/13/1295255413.db2.gz BDIKFCOYZGSOQH-OAHLLOKOSA-N 1 0 328.456 3.307 20 10 EGCDRO C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000185660755 1295277745 /nfs/dbraw/zinc/27/77/45/1295277745.db2.gz FYQQSIXJFBRZFZ-LLVKDONJSA-N 1 0 326.412 3.485 20 10 EGCDRO C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1O ZINC000186201025 1295312123 /nfs/dbraw/zinc/31/21/23/1295312123.db2.gz BTEQMSLWLILCDR-NHYWBVRUSA-N 1 0 338.423 3.485 20 10 EGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000186454253 1295328295 /nfs/dbraw/zinc/32/82/95/1295328295.db2.gz HSBVOAHHGSKTIX-BBRMVZONSA-N 1 0 332.444 3.152 20 10 EGCDRO Cc1cc(C(=O)CN2CC[C@@H](O)[C@H](C)C2)c(C)n1-c1ccc(C)cc1 ZINC000186791872 1295351851 /nfs/dbraw/zinc/35/18/51/1295351851.db2.gz TUPUQJKUAJJYPB-FOIQADDNSA-N 1 0 340.467 3.288 20 10 EGCDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(O)c1O ZINC000186918075 1295357249 /nfs/dbraw/zinc/35/72/49/1295357249.db2.gz BZUPXBCAFOGOIL-UHFFFAOYSA-N 1 0 326.396 3.336 20 10 EGCDRO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000870965265 1296158888 /nfs/dbraw/zinc/15/88/88/1296158888.db2.gz LYWFCFRHXPNVDE-UHFFFAOYSA-N 1 0 344.480 3.486 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000236911021 1296211173 /nfs/dbraw/zinc/21/11/73/1296211173.db2.gz DENAXAAMGGURGF-DOTOQJQBSA-N 1 0 349.494 3.314 20 10 EGCDRO COc1cc(OC)cc(OCCC[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000237216657 1296227468 /nfs/dbraw/zinc/22/74/68/1296227468.db2.gz KPNAUOQYOUJGOX-UHFFFAOYSA-N 1 0 344.455 3.329 20 10 EGCDRO COc1ccc(-n2c(C)cc(C(=O)NC3CCC([NH3+])CC3)c2C)cc1 ZINC000237506306 1296247450 /nfs/dbraw/zinc/24/74/50/1296247450.db2.gz BOXAMPMOPBMGRH-UHFFFAOYSA-N 1 0 341.455 3.102 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1O ZINC000872128972 1296752747 /nfs/dbraw/zinc/75/27/47/1296752747.db2.gz PMMHFZDIXSAHGA-DOMZBBRYSA-N 1 0 335.831 3.308 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000305781832 1297049804 /nfs/dbraw/zinc/04/98/04/1297049804.db2.gz PEIZOZQUYWKXEN-INIZCTEOSA-N 1 0 341.329 3.243 20 10 EGCDRO CN1CCCc2cc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)ccc21 ZINC000310871804 1297101228 /nfs/dbraw/zinc/10/12/28/1297101228.db2.gz ZUINNFGGFKXWPZ-UHFFFAOYSA-N 1 0 347.503 3.462 20 10 EGCDRO Brc1cnn(CC[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC000314728430 1297130852 /nfs/dbraw/zinc/13/08/52/1297130852.db2.gz GGNMPSPKVDTOGI-UHFFFAOYSA-N 1 0 349.276 3.036 20 10 EGCDRO COc1cccc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1 ZINC000322413908 1297191921 /nfs/dbraw/zinc/19/19/21/1297191921.db2.gz XIIFKFOOVJUVLH-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@@H]2CCCCO2)cc1Cn1cccn1 ZINC000873107033 1297274322 /nfs/dbraw/zinc/27/43/22/1297274322.db2.gz MEXVZWVZDXTHHC-IBGZPJMESA-N 1 0 343.471 3.379 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1Cn1cccn1 ZINC000873143049 1297298536 /nfs/dbraw/zinc/29/85/36/1297298536.db2.gz XEASNTCLZNYRPR-UHFFFAOYSA-N 1 0 337.423 3.244 20 10 EGCDRO Cc1cccc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382469300 1297560405 /nfs/dbraw/zinc/56/04/05/1297560405.db2.gz OSTDNHRWVXRBCD-HOCLYGCPSA-N 1 0 334.460 3.484 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000385490025 1297582706 /nfs/dbraw/zinc/58/27/06/1297582706.db2.gz HXXHZUKXRHNJMZ-IEBWSBKVSA-N 1 0 340.467 3.252 20 10 EGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000393386485 1297666218 /nfs/dbraw/zinc/66/62/18/1297666218.db2.gz WWNYGTSPRSOUBB-KRWDZBQOSA-N 1 0 333.476 3.242 20 10 EGCDRO CC/C=C\CC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000588477423 1298069971 /nfs/dbraw/zinc/06/99/71/1298069971.db2.gz YBXKJLRKZJCWRY-SREVYHEPSA-N 1 0 334.460 3.191 20 10 EGCDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1c(O)cccc1Cl ZINC000697924083 1298165642 /nfs/dbraw/zinc/16/56/42/1298165642.db2.gz CFZWKZAFCOSUAU-NSHDSACASA-N 1 0 328.840 3.296 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Br)C1CCCC1 ZINC000706880666 1298225754 /nfs/dbraw/zinc/22/57/54/1298225754.db2.gz BMMWXRJFQSXKJR-HNNXBMFYSA-N 1 0 328.250 3.450 20 10 EGCDRO CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715828977 1298289325 /nfs/dbraw/zinc/28/93/25/1298289325.db2.gz QTIFIXKRTFJVQZ-NSHDSACASA-N 1 0 345.256 3.115 20 10 EGCDRO C[C@@H](NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000875573234 1298393838 /nfs/dbraw/zinc/39/38/38/1298393838.db2.gz JNRVZBJWXMJKKW-CLCXKQKWSA-N 1 0 341.455 3.444 20 10 EGCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1O)c1ccc(Cl)cc1 ZINC000746761943 1298656882 /nfs/dbraw/zinc/65/68/82/1298656882.db2.gz PLJKKGDJAJWVTH-MRXNPFEDSA-N 1 0 347.846 3.148 20 10 EGCDRO COc1ccccc1C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876532614 1298809341 /nfs/dbraw/zinc/80/93/41/1298809341.db2.gz JQNZYWSWRUMQRC-UHFFFAOYSA-N 1 0 340.467 3.288 20 10 EGCDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876546256 1298818190 /nfs/dbraw/zinc/81/81/90/1298818190.db2.gz UOAMCVFCNWLELR-OAQYLSRUSA-N 1 0 339.483 3.323 20 10 EGCDRO OC1CCN(c2ccc(C[NH2+]CCCOc3ccccc3)cc2)CC1 ZINC000876902450 1299057507 /nfs/dbraw/zinc/05/75/07/1299057507.db2.gz COWOMIFLTLRRMR-UHFFFAOYSA-N 1 0 340.467 3.206 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000876959358 1299088580 /nfs/dbraw/zinc/08/85/80/1299088580.db2.gz QYFQVUSAYUHFCV-NRFANRHFSA-N 1 0 340.467 3.125 20 10 EGCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000876992071 1299103823 /nfs/dbraw/zinc/10/38/23/1299103823.db2.gz YUTSJKJQSWZRRG-INIZCTEOSA-N 1 0 341.329 3.422 20 10 EGCDRO CO[C@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000876998593 1299108360 /nfs/dbraw/zinc/10/83/60/1299108360.db2.gz JYOAUZURESZXSP-QGZVFWFLSA-N 1 0 340.414 3.271 20 10 EGCDRO CSc1nnc(CCC[NH2+]Cc2c(C)cccc2O)n1CC(C)C ZINC000877030219 1299119941 /nfs/dbraw/zinc/11/99/41/1299119941.db2.gz BTMWXLKZSIJBDM-UHFFFAOYSA-N 1 0 348.516 3.392 20 10 EGCDRO CSc1nnc(CCC[NH2+]Cc2ccc(C)cc2O)n1CC(C)C ZINC000877030417 1299120232 /nfs/dbraw/zinc/12/02/32/1299120232.db2.gz GCKLMPPCXOGYIX-UHFFFAOYSA-N 1 0 348.516 3.392 20 10 EGCDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877074559 1299145834 /nfs/dbraw/zinc/14/58/34/1299145834.db2.gz AHNPFUVQYCSWAY-RXVVDRJESA-N 1 0 346.515 3.189 20 10 EGCDRO CC(C)OC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877113973 1299163075 /nfs/dbraw/zinc/16/30/75/1299163075.db2.gz IVYFBHUVJYJWTE-UHFFFAOYSA-N 1 0 346.515 3.474 20 10 EGCDRO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c(C)n1-c1ccccc1C ZINC000877293250 1299237345 /nfs/dbraw/zinc/23/73/45/1299237345.db2.gz ZPRICPAIQHWTKV-QAQDUYKDSA-N 1 0 325.456 3.402 20 10 EGCDRO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(C)cc1O ZINC000877503003 1299352153 /nfs/dbraw/zinc/35/21/53/1299352153.db2.gz YIKITJUFYOSWQR-UHFFFAOYSA-N 1 0 332.469 3.209 20 10 EGCDRO CC[N@H+](Cc1ccncc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522967 1299366129 /nfs/dbraw/zinc/36/61/29/1299366129.db2.gz GKFLWSCPYONKPN-UHFFFAOYSA-N 1 0 325.456 3.065 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](OC)C3CCCC3)C2)cc1 ZINC000877598337 1299423110 /nfs/dbraw/zinc/42/31/10/1299423110.db2.gz LFFRFOJMQUWWDL-OXQOHEQNSA-N 1 0 332.488 3.316 20 10 EGCDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(N3CCC(O)CC3)cc1)CCOCC2 ZINC000877608422 1299428882 /nfs/dbraw/zinc/42/88/82/1299428882.db2.gz VFBQGIFKMDESDF-KRWDZBQOSA-N 1 0 344.499 3.039 20 10 EGCDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](O)c2cc(OC)ccc2OC)c1O ZINC000877834163 1299602337 /nfs/dbraw/zinc/60/23/37/1299602337.db2.gz ZJXOQFNROBNNKG-DJJJIMSYSA-N 1 0 345.439 3.184 20 10 EGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCO[C@@H]1C ZINC000878154607 1299782867 /nfs/dbraw/zinc/78/28/67/1299782867.db2.gz ZPCYCCLWFLEVRJ-VXGBXAGGSA-N 1 0 328.250 3.402 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](Cc2ccccc2)N(C)C)c1 ZINC000756344924 1300472213 /nfs/dbraw/zinc/47/22/13/1300472213.db2.gz UVKMOPHJFHGYPY-RDJZCZTQSA-N 1 0 328.456 3.224 20 10 EGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000756420101 1300486905 /nfs/dbraw/zinc/48/69/05/1300486905.db2.gz HCPYHUWXGKUYJY-JYJNAYRXSA-N 1 0 348.487 3.197 20 10 EGCDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)ccc1OCCO ZINC000756455216 1300496430 /nfs/dbraw/zinc/49/64/30/1300496430.db2.gz BOBXIQZDAOXHNN-LSDHHAIUSA-N 1 0 345.439 3.492 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc(F)c2)c2c1c(F)ccc2O ZINC000756462133 1300497032 /nfs/dbraw/zinc/49/70/32/1300497032.db2.gz ZWJDWJWPYWKYEW-AXAPSJFSSA-N 1 0 349.377 3.248 20 10 EGCDRO C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)c2c1c(F)ccc2O ZINC000756477341 1300500873 /nfs/dbraw/zinc/50/08/73/1300500873.db2.gz AHRYLMOYGSNTNG-WCQYABFASA-N 1 0 329.375 3.093 20 10 EGCDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756477026 1300501151 /nfs/dbraw/zinc/50/11/51/1300501151.db2.gz WGCUDUTXWUBYIR-HNNXBMFYSA-N 1 0 338.451 3.238 20 10 EGCDRO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1cc(Br)ccc1O ZINC000756615702 1300532333 /nfs/dbraw/zinc/53/23/33/1300532333.db2.gz FZUXMVVLFZJJBS-NEPJUHHUSA-N 1 0 327.266 3.290 20 10 EGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756664827 1300543702 /nfs/dbraw/zinc/54/37/02/1300543702.db2.gz QQCCVBCGOBUEOB-YGRLFVJLSA-N 1 0 333.407 3.174 20 10 EGCDRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccccc1O ZINC000879649278 1300648938 /nfs/dbraw/zinc/64/89/38/1300648938.db2.gz OVQBJVMVHUSQEA-UKRRQHHQSA-N 1 0 335.831 3.274 20 10 EGCDRO CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879649051 1300650350 /nfs/dbraw/zinc/65/03/50/1300650350.db2.gz KMKXYPYFDZQAGH-OAHLLOKOSA-N 1 0 326.440 3.264 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000758528844 1300904341 /nfs/dbraw/zinc/90/43/41/1300904341.db2.gz OBWCDWVQEFINCF-XLIONFOSSA-N 1 0 345.414 3.186 20 10 EGCDRO CCC(CC)CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000759187312 1301035795 /nfs/dbraw/zinc/03/57/95/1301035795.db2.gz MKMGMJYICRIKOW-UHFFFAOYSA-N 1 0 349.494 3.410 20 10 EGCDRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000760897927 1301359755 /nfs/dbraw/zinc/35/97/55/1301359755.db2.gz XRUDRQJOOSWCQX-OAHLLOKOSA-N 1 0 330.451 3.443 20 10 EGCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761202474 1301420126 /nfs/dbraw/zinc/42/01/26/1301420126.db2.gz ZHRACDQTIRCONM-CXAGYDPISA-N 1 0 341.835 3.266 20 10 EGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761214195 1301421810 /nfs/dbraw/zinc/42/18/10/1301421810.db2.gz ABJXBYGHOALGII-INIZCTEOSA-N 1 0 335.831 3.402 20 10 EGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000761217548 1301423245 /nfs/dbraw/zinc/42/32/45/1301423245.db2.gz VFHPPIAUAMSFPF-INIZCTEOSA-N 1 0 330.472 3.450 20 10 EGCDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000761295134 1301437646 /nfs/dbraw/zinc/43/76/46/1301437646.db2.gz SZGSCWBFOBNMCG-AWEZNQCLSA-N 1 0 343.423 3.440 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000761973172 1301580179 /nfs/dbraw/zinc/58/01/79/1301580179.db2.gz NDUUBYPGKXXZOC-NSHDSACASA-N 1 0 334.441 3.015 20 10 EGCDRO CS/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761980503 1301580964 /nfs/dbraw/zinc/58/09/64/1301580964.db2.gz CMMUSDUOAJCOMP-IZPAUZPXSA-N 1 0 340.876 3.003 20 10 EGCDRO Oc1ccccc1C[N@H+](CCCc1ccncc1)C[C@H]1CCCO1 ZINC000764975972 1302178397 /nfs/dbraw/zinc/17/83/97/1302178397.db2.gz DHMVANJZPUCDKM-LJQANCHMSA-N 1 0 326.440 3.401 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccs1 ZINC000765246814 1302226590 /nfs/dbraw/zinc/22/65/90/1302226590.db2.gz WVCFMWAGUNHTBZ-GOEBONIOSA-N 1 0 343.496 3.301 20 10 EGCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765255482 1302230498 /nfs/dbraw/zinc/23/04/98/1302230498.db2.gz QVUKODWBBBWWJN-HNAWSFBYSA-N 1 0 343.515 3.303 20 10 EGCDRO COc1cc(C[NH2+][C@@H]2CCCC23OCCO3)c(O)c(C(C)(C)C)c1 ZINC000883178080 1302287131 /nfs/dbraw/zinc/28/71/31/1302287131.db2.gz OKMRCWVPZCDXGA-MRXNPFEDSA-N 1 0 335.444 3.084 20 10 EGCDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765867289 1302342270 /nfs/dbraw/zinc/34/22/70/1302342270.db2.gz LTQHNZCQGZRELF-CQSZACIVSA-N 1 0 338.879 3.254 20 10 EGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765960214 1302357944 /nfs/dbraw/zinc/35/79/44/1302357944.db2.gz WBMQLPURYNWEGB-RDTXWAMCSA-N 1 0 338.879 3.254 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1cc(Cl)ccc1O ZINC000883286230 1302364356 /nfs/dbraw/zinc/36/43/56/1302364356.db2.gz MIMAILLMEQDCDO-LBPRGKRZSA-N 1 0 345.830 3.426 20 10 EGCDRO C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(N2CCCCC2)cc1 ZINC000766594020 1302484504 /nfs/dbraw/zinc/48/45/04/1302484504.db2.gz ZYVFHPWFMYRKAE-MRXNPFEDSA-N 1 0 325.460 3.230 20 10 EGCDRO C[C@H]([NH2+]CCc1ccncc1)c1ccc(N2CCOCC2)cc1Cl ZINC000766603053 1302485794 /nfs/dbraw/zinc/48/57/94/1302485794.db2.gz LWNQKKQXWLKMBW-HNNXBMFYSA-N 1 0 345.874 3.465 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1[nH]nc2ccccc21)C[C@@H]1CCCO1 ZINC000768160867 1302839349 /nfs/dbraw/zinc/83/93/49/1302839349.db2.gz BAWCQKGQRBKCBI-INIZCTEOSA-N 1 0 337.423 3.450 20 10 EGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1O ZINC000768183701 1302846791 /nfs/dbraw/zinc/84/67/91/1302846791.db2.gz PBUADCFIPVQRKX-UHFFFAOYSA-N 1 0 329.396 3.194 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000768227708 1302860826 /nfs/dbraw/zinc/86/08/26/1302860826.db2.gz VQYDSAJEPYUNJV-UHFFFAOYSA-N 1 0 325.408 3.496 20 10 EGCDRO CC(C)C(=O)NC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768439350 1302901429 /nfs/dbraw/zinc/90/14/29/1302901429.db2.gz KULJOHHRESFEBT-UHFFFAOYSA-N 1 0 330.472 3.008 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccccc3F)CC1)[C@H](O)CO2 ZINC000768447265 1302906638 /nfs/dbraw/zinc/90/66/38/1302906638.db2.gz NXMMGSUNPDKWON-LJQANCHMSA-N 1 0 343.398 3.337 20 10 EGCDRO COc1cc(CN2CC[NH+](CCc3cccs3)CC2)c(O)cc1C ZINC000768443843 1302907220 /nfs/dbraw/zinc/90/72/20/1302907220.db2.gz UZRVHJCBCCPGPN-UHFFFAOYSA-N 1 0 346.496 3.131 20 10 EGCDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768444462 1302908049 /nfs/dbraw/zinc/90/80/49/1302908049.db2.gz BMBFEAXQLHZNCD-PXNSSMCTSA-N 1 0 339.435 3.334 20 10 EGCDRO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768449728 1302910048 /nfs/dbraw/zinc/91/00/48/1302910048.db2.gz ZMZROFXHMWZOLJ-IBGZPJMESA-N 1 0 342.483 3.248 20 10 EGCDRO COc1cc(O)c(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1OC ZINC000768449244 1302910213 /nfs/dbraw/zinc/91/02/13/1302910213.db2.gz FPDVQAIPDZNRJV-HXUWFJFHSA-N 1 0 343.423 3.373 20 10 EGCDRO Oc1cc2c(cc1C[NH+]1CCC(O[C@@H]3CCOC3)CC1)CCCC2 ZINC000768464167 1302911526 /nfs/dbraw/zinc/91/15/26/1302911526.db2.gz NWZBWOJJDZGUEO-LJQANCHMSA-N 1 0 331.456 3.041 20 10 EGCDRO Cc1csc(C2([NH2+]Cc3cc4c(cc3O)OC[C@@H]4O)CCCC2)n1 ZINC000768465459 1302913131 /nfs/dbraw/zinc/91/31/31/1302913131.db2.gz NFAJOLKHQILIGJ-HNNXBMFYSA-N 1 0 346.452 3.142 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(C(N)=O)c2)cc1F ZINC000768927313 1303014197 /nfs/dbraw/zinc/01/41/97/1303014197.db2.gz SOIBOXMFLQCRCE-UHFFFAOYSA-N 1 0 343.446 3.403 20 10 EGCDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769007982 1303031197 /nfs/dbraw/zinc/03/11/97/1303031197.db2.gz XKRRITPFRMCLCE-AEFFLSMTSA-N 1 0 331.504 3.269 20 10 EGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000769145248 1303056227 /nfs/dbraw/zinc/05/62/27/1303056227.db2.gz MULDLRSYNLPTJL-LSDHHAIUSA-N 1 0 331.485 3.320 20 10 EGCDRO CCCCCC(=O)NC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769224869 1303075457 /nfs/dbraw/zinc/07/54/57/1303075457.db2.gz ZWUSGJYKCKLPKO-UHFFFAOYSA-N 1 0 334.460 3.062 20 10 EGCDRO COc1cccc(O)c1CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000769497775 1303126778 /nfs/dbraw/zinc/12/67/78/1303126778.db2.gz AQRBWOGPATWRGI-KRWDZBQOSA-N 1 0 326.440 3.107 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000769524251 1303134713 /nfs/dbraw/zinc/13/47/13/1303134713.db2.gz JWTARAPTRHZKJM-QGZVFWFLSA-N 1 0 340.467 3.497 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000769524249 1303134883 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CCCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746994 1303582502 /nfs/dbraw/zinc/58/25/02/1303582502.db2.gz IKLSVOIJQMQIGZ-INIZCTEOSA-N 1 0 331.504 3.447 20 10 EGCDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749039 1303583068 /nfs/dbraw/zinc/58/30/68/1303583068.db2.gz HIQPFMGHJBFLEZ-OAHLLOKOSA-N 1 0 331.504 3.303 20 10 EGCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886748903 1303583478 /nfs/dbraw/zinc/58/34/78/1303583478.db2.gz CFDFADGGHWSIJC-HNNXBMFYSA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000773371404 1303669311 /nfs/dbraw/zinc/66/93/11/1303669311.db2.gz KAGHMOWUWUNOPL-IRXDYDNUSA-N 1 0 346.519 3.233 20 10 EGCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773609570 1303713918 /nfs/dbraw/zinc/71/39/18/1303713918.db2.gz DSMDTIXNVHAZMT-DLBZAZTESA-N 1 0 346.519 3.233 20 10 EGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773748525 1303734359 /nfs/dbraw/zinc/73/43/59/1303734359.db2.gz MWWFHFGOCRYKDJ-GOSISDBHSA-N 1 0 331.504 3.271 20 10 EGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774480359 1303815454 /nfs/dbraw/zinc/81/54/54/1303815454.db2.gz AWKZFODWMPTALT-SJORKVTESA-N 1 0 339.483 3.151 20 10 EGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000775199771 1303923717 /nfs/dbraw/zinc/92/37/17/1303923717.db2.gz GFGFNKBADXOZCS-IBGZPJMESA-N 1 0 335.444 3.202 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCn2c(=O)[nH]c3ccccc32)c1 ZINC000775373077 1303949042 /nfs/dbraw/zinc/94/90/42/1303949042.db2.gz LYLCOCAUTCOJIU-ZDUSSCGKSA-N 1 0 341.411 3.197 20 10 EGCDRO CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775508445 1303976141 /nfs/dbraw/zinc/97/61/41/1303976141.db2.gz CGGXYTFZGAMTTR-CYBMUJFWSA-N 1 0 347.286 3.196 20 10 EGCDRO CCOC1CC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000775630038 1303998399 /nfs/dbraw/zinc/99/83/99/1303998399.db2.gz XIFCLKSFCQIEMC-UHFFFAOYSA-N 1 0 340.414 3.414 20 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/nfs/dbraw/zinc/12/07/04/1304120704.db2.gz PGULBGXMRAUWTM-ZDUSSCGKSA-N 1 0 348.805 3.388 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C)C3)cc2F)CC1 ZINC000776324302 1304133936 /nfs/dbraw/zinc/13/39/36/1304133936.db2.gz XYQXJVAEUZBYTM-DOTOQJQBSA-N 1 0 347.478 3.020 20 10 EGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000776863280 1304213820 /nfs/dbraw/zinc/21/38/20/1304213820.db2.gz AKSMJDHTRYPPKC-MJBXVCDLSA-N 1 0 338.423 3.439 20 10 EGCDRO CC(C)Cc1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000777508816 1304306354 /nfs/dbraw/zinc/30/63/54/1304306354.db2.gz RNIMGNRRVPFCLG-UHFFFAOYSA-N 1 0 345.516 3.101 20 10 EGCDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000779021852 1304519566 /nfs/dbraw/zinc/51/95/66/1304519566.db2.gz YHWUFEZNOYJEOH-MJBXVCDLSA-N 1 0 346.450 3.322 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)c1O ZINC000779038185 1304522264 /nfs/dbraw/zinc/52/22/64/1304522264.db2.gz JXMLAPVFVSKENT-ZWNOBZJWSA-N 1 0 328.250 3.275 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C2COC(C)(C)OC2)c1O ZINC000779051667 1304522950 /nfs/dbraw/zinc/52/29/50/1304522950.db2.gz XPIISFKVLMAABB-JTQLQIEISA-N 1 0 344.249 3.265 20 10 EGCDRO Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)c(O)c1O ZINC000779225249 1304544144 /nfs/dbraw/zinc/54/41/44/1304544144.db2.gz MTWYZEQSVBEJBM-UHFFFAOYSA-N 1 0 334.460 3.133 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1O ZINC000780780498 1304737808 /nfs/dbraw/zinc/73/78/08/1304737808.db2.gz XEVVUTGTEDXXCQ-RYUDHWBXSA-N 1 0 328.250 3.368 20 10 EGCDRO COc1cc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c(O)cc1C ZINC000782277569 1304945750 /nfs/dbraw/zinc/94/57/50/1304945750.db2.gz JVOFETBKULDWDQ-UHFFFAOYSA-N 1 0 342.439 3.456 20 10 EGCDRO C/C(=C/c1ccco1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245320 1304998920 /nfs/dbraw/zinc/99/89/20/1304998920.db2.gz COEFQAUJDHDMGI-RXHHAWBHSA-N 1 0 341.455 3.168 20 10 EGCDRO C/C(=C\c1ccco1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245317 1304999307 /nfs/dbraw/zinc/99/93/07/1304999307.db2.gz COEFQAUJDHDMGI-LLLGYDHXSA-N 1 0 341.455 3.168 20 10 EGCDRO CCCc1occc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247369 1304999724 /nfs/dbraw/zinc/99/97/24/1304999724.db2.gz JOFPXEKXFDLYPO-GOSISDBHSA-N 1 0 343.471 3.331 20 10 EGCDRO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccs1 ZINC000891251529 1305000302 /nfs/dbraw/zinc/00/03/02/1305000302.db2.gz FYIDPXFEEKETNF-WMLDXEAASA-N 1 0 345.512 3.337 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)c1 ZINC000783718007 1305131718 /nfs/dbraw/zinc/13/17/18/1305131718.db2.gz NBTWISAOBYNXIP-OAHLLOKOSA-N 1 0 333.350 3.334 20 10 EGCDRO Cc1ccncc1/C=C\C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000783910642 1305161368 /nfs/dbraw/zinc/16/13/68/1305161368.db2.gz WRLFJFUABQMBBL-OLHLWXQYSA-N 1 0 333.435 3.414 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c(O)c1OC ZINC000892505612 1305412556 /nfs/dbraw/zinc/41/25/56/1305412556.db2.gz DMOCCHUIJDUHNV-LBPRGKRZSA-N 1 0 344.411 3.219 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](c2cccnc2)C(C)C)c(O)c1OC ZINC000893101795 1305707696 /nfs/dbraw/zinc/70/76/96/1305707696.db2.gz BPZPOSDETMMPLE-MRXNPFEDSA-N 1 0 330.428 3.334 20 10 EGCDRO C[C@@H]([NH2+]CCc1cncn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000788258876 1305909643 /nfs/dbraw/zinc/90/96/43/1305909643.db2.gz YUNLSFKHYBROCS-OAHLLOKOSA-N 1 0 330.451 3.443 20 10 EGCDRO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c(O)c1OC ZINC000893572680 1305974360 /nfs/dbraw/zinc/97/43/60/1305974360.db2.gz SMUFJFQLXNJCDS-XJKSGUPXSA-N 1 0 328.412 3.388 20 10 EGCDRO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788622477 1305985158 /nfs/dbraw/zinc/98/51/58/1305985158.db2.gz AWIAATAORRVUED-QWHCGFSZSA-N 1 0 348.409 3.418 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1 ZINC000788634218 1305987634 /nfs/dbraw/zinc/98/76/34/1305987634.db2.gz XUWHOMSLKUFIJS-NVXWUHKLSA-N 1 0 330.472 3.451 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNCC(F)(F)c3ccccc3)cc2)CC1 ZINC000788968949 1306052670 /nfs/dbraw/zinc/05/26/70/1306052670.db2.gz DFKGYUPPVGIIQV-UHFFFAOYSA-N 1 0 345.437 3.320 20 10 EGCDRO CC(=O)Nc1cccc2c1CCN(Cc1cc(F)cc(F)c1[O-])C2 ZINC000893968743 1306153908 /nfs/dbraw/zinc/15/39/08/1306153908.db2.gz LUYSDEWBJFJXGF-UHFFFAOYSA-N 1 0 332.350 3.187 20 10 EGCDRO CCCCCC(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893987273 1306165200 /nfs/dbraw/zinc/16/52/00/1306165200.db2.gz QGHNXRLHPLTQNY-UHFFFAOYSA-N 1 0 340.414 3.331 20 10 EGCDRO COc1cc(C)cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1O ZINC000894025776 1306180499 /nfs/dbraw/zinc/18/04/99/1306180499.db2.gz IDVQWTBTSCPPHE-GOSISDBHSA-N 1 0 327.424 3.191 20 10 EGCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000789763172 1306211747 /nfs/dbraw/zinc/21/17/47/1306211747.db2.gz GEWLYTHKXIEEEK-QGZVFWFLSA-N 1 0 340.467 3.212 20 10 EGCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000789763171 1306212454 /nfs/dbraw/zinc/21/24/54/1306212454.db2.gz GEWLYTHKXIEEEK-KRWDZBQOSA-N 1 0 340.467 3.212 20 10 EGCDRO CCOc1cc(C[NH2+]Cc2cc(C)cc(OC)c2O)ccc1OC ZINC000894259723 1306305722 /nfs/dbraw/zinc/30/57/22/1306305722.db2.gz HZPALBGEKBDLHM-UHFFFAOYSA-N 1 0 331.412 3.406 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2cccc(OC(C)C)c2)c1O ZINC000894259098 1306305901 /nfs/dbraw/zinc/30/59/01/1306305901.db2.gz AEBJEDDLKBLLPY-SFHVURJKSA-N 1 0 345.439 3.320 20 10 EGCDRO CC[C@H]([NH2+]CCN(C)CCOC)c1ccc(C(F)(F)F)cc1O ZINC000810215841 1317977065 /nfs/dbraw/zinc/97/70/65/1317977065.db2.gz NFEPLEYZAHKRKX-AWEZNQCLSA-N 1 0 334.382 3.030 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000790930577 1308889153 /nfs/dbraw/zinc/88/91/53/1308889153.db2.gz ALBKWGYWVGZTGN-SQGPQFPESA-N 1 0 332.488 3.301 20 10 EGCDRO CC[C@@H](C[NH2+]Cc1cc(C)cc(OC)c1O)NC(=O)OC(C)(C)C ZINC000894880069 1309113010 /nfs/dbraw/zinc/11/30/10/1309113010.db2.gz CCDGOTCIDMEMMG-AWEZNQCLSA-N 1 0 338.448 3.102 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nc(C)c(C)s3)C2)cc1 ZINC000895006548 1309151145 /nfs/dbraw/zinc/15/11/45/1309151145.db2.gz RLQFOEPPUDTGGO-OAHLLOKOSA-N 1 0 331.485 3.385 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCn3ccnc3C2)c(C(F)(F)F)c1 ZINC000793098817 1309295477 /nfs/dbraw/zinc/29/54/77/1309295477.db2.gz MPICQWNNNGYABO-ZDUSSCGKSA-N 1 0 338.377 3.073 20 10 EGCDRO CCN(CC)c1ccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)cc1F ZINC000793361445 1309353293 /nfs/dbraw/zinc/35/32/93/1309353293.db2.gz HUNRRPOBTVXXIS-HNAYVOBHSA-N 1 0 336.451 3.052 20 10 EGCDRO CCOc1ccc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c(O)c1 ZINC000793602045 1309414478 /nfs/dbraw/zinc/41/44/78/1309414478.db2.gz RYRDGOAEUXSMAA-ZDUSSCGKSA-N 1 0 338.448 3.184 20 10 EGCDRO Cc1cc(C(=O)NCC[N@H+]2CC=CCC2)c(C)n1-c1ccc(F)cc1 ZINC000794114638 1309469597 /nfs/dbraw/zinc/46/95/97/1309469597.db2.gz HNURKYDZYIRALQ-UHFFFAOYSA-N 1 0 341.430 3.225 20 10 EGCDRO COc1ccc(C[N@H+](CCO)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000895709740 1309481144 /nfs/dbraw/zinc/48/11/44/1309481144.db2.gz DSADMBOVQCTFBH-UHFFFAOYSA-N 1 0 339.794 3.188 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1O ZINC000795120775 1309673034 /nfs/dbraw/zinc/67/30/34/1309673034.db2.gz LULBUJYVMWKHRT-ZDUSSCGKSA-N 1 0 334.435 3.040 20 10 EGCDRO COc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c(O)c1 ZINC000795284929 1309716048 /nfs/dbraw/zinc/71/60/48/1309716048.db2.gz NKHVOUZBXVXKQI-UHFFFAOYSA-N 1 0 339.351 3.200 20 10 EGCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000796485364 1310012467 /nfs/dbraw/zinc/01/24/67/1310012467.db2.gz YBRLSLZXTQOSHO-DZGCQCFKSA-N 1 0 335.473 3.426 20 10 EGCDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000796710576 1310070855 /nfs/dbraw/zinc/07/08/55/1310070855.db2.gz YIQDLYCYRAXZBW-SFHVURJKSA-N 1 0 333.476 3.242 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000796771657 1310084248 /nfs/dbraw/zinc/08/42/48/1310084248.db2.gz LYIGCMJWEJYFOB-AWEZNQCLSA-N 1 0 339.439 3.243 20 10 EGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2CCN(C(=O)OC)CC2)cc1 ZINC000797090144 1310139213 /nfs/dbraw/zinc/13/92/13/1310139213.db2.gz IFKBWMIHZPAEAW-OAHLLOKOSA-N 1 0 333.476 3.272 20 10 EGCDRO COc1cccc(O)c1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000797605670 1310220661 /nfs/dbraw/zinc/22/06/61/1310220661.db2.gz UQFIAZXDVXMVIZ-UHFFFAOYSA-N 1 0 349.434 3.436 20 10 EGCDRO COc1cccc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c1O ZINC000797605569 1310220961 /nfs/dbraw/zinc/22/09/61/1310220961.db2.gz RCDYJVSUQKSYHD-UHFFFAOYSA-N 1 0 349.434 3.436 20 10 EGCDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000800223036 1310706902 /nfs/dbraw/zinc/70/69/02/1310706902.db2.gz OGUXMTLDKWOPCF-PMPSAXMXSA-N 1 0 338.467 3.342 20 10 EGCDRO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000800239002 1310709679 /nfs/dbraw/zinc/70/96/79/1310709679.db2.gz CKUKJWQAVMMNMN-RHSMWYFYSA-N 1 0 340.895 3.413 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000800473271 1310765675 /nfs/dbraw/zinc/76/56/75/1310765675.db2.gz PXSCHDLLPLPFHV-FQEVSTJZSA-N 1 0 343.515 3.130 20 10 EGCDRO C[C@@H](N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(C)CC1 ZINC000899102594 1310936453 /nfs/dbraw/zinc/93/64/53/1310936453.db2.gz RBOPTBRCAZCZGB-QAPCUYQASA-N 1 0 346.519 3.185 20 10 EGCDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824515619 1320262549 /nfs/dbraw/zinc/26/25/49/1320262549.db2.gz GBLNAGRSWKVWGH-OAHLLOKOSA-N 1 0 335.448 3.083 20 10 EGCDRO COc1ccc(N2CCC[N@H+](Cc3c(C4CC4)cnn3C)CC2)cc1 ZINC000824606179 1320269295 /nfs/dbraw/zinc/26/92/95/1320269295.db2.gz PGUMZLZFTGYHEM-UHFFFAOYSA-N 1 0 340.471 3.018 20 10 EGCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(Br)cc1O ZINC000825396461 1320334944 /nfs/dbraw/zinc/33/49/44/1320334944.db2.gz ULJPLNVXLOTXLM-YGRLFVJLSA-N 1 0 340.217 3.350 20 10 EGCDRO Cc1cc(O)c(C[NH2+]CCOCC(F)(F)C(F)F)cc1Cl ZINC000825710100 1320357301 /nfs/dbraw/zinc/35/73/01/1320357301.db2.gz GGBIGSCJQYQTJQ-UHFFFAOYSA-N 1 0 329.721 3.361 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000825737290 1320359570 /nfs/dbraw/zinc/35/95/70/1320359570.db2.gz XZUSGBZZCHKPTM-KBXCAEBGSA-N 1 0 346.471 3.375 20 10 EGCDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000826120475 1320384277 /nfs/dbraw/zinc/38/42/77/1320384277.db2.gz DSGHGOHZEGVGKN-ZUZCIYMTSA-N 1 0 328.250 3.448 20 10 EGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2S(C)(=O)=O)cc1Cl ZINC000826120772 1320384332 /nfs/dbraw/zinc/38/43/32/1320384332.db2.gz IOFQNZZZPXFPKB-UHFFFAOYSA-N 1 0 339.844 3.047 20 10 EGCDRO Oc1cc(Br)ccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000826012957 1320378238 /nfs/dbraw/zinc/37/82/38/1320378238.db2.gz RSXOEUHZAVXLNE-AWEZNQCLSA-N 1 0 326.234 3.034 20 10 EGCDRO CN(C)C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000801735268 1316943159 /nfs/dbraw/zinc/94/31/59/1316943159.db2.gz IFTQNLOZJXUTCI-HNNXBMFYSA-N 1 0 348.830 3.167 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(OC(F)F)nc3)cc2)CC1 ZINC000801739488 1316943375 /nfs/dbraw/zinc/94/33/75/1316943375.db2.gz QFQPZNQFDHLHEJ-UHFFFAOYSA-N 1 0 348.397 3.047 20 10 EGCDRO CCc1oc(C[NH2+]CCCSc2nccs2)cc1C(=O)OC ZINC000802645933 1317019887 /nfs/dbraw/zinc/01/98/87/1317019887.db2.gz GTXDTIVTYIEQJX-UHFFFAOYSA-N 1 0 340.470 3.357 20 10 EGCDRO COc1ccc(O)c(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000802661320 1317024253 /nfs/dbraw/zinc/02/42/53/1317024253.db2.gz NJMXXWHMUVDHSY-KRWDZBQOSA-N 1 0 334.847 3.447 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3occc3Cl)C2)cc1C ZINC001019339280 1317177460 /nfs/dbraw/zinc/17/74/60/1317177460.db2.gz XVHGYXGUVGKKPH-AWEZNQCLSA-N 1 0 348.830 3.254 20 10 EGCDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858118414 1328687863 /nfs/dbraw/zinc/68/78/63/1328687863.db2.gz ZPEXRFURYQPPDB-SECBINFHSA-N 1 0 326.309 3.088 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000805747595 1317417241 /nfs/dbraw/zinc/41/72/41/1317417241.db2.gz DAPZLKLGGTXWBM-DOMZBBRYSA-N 1 0 335.831 3.308 20 10 EGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)[C@H](O)c1ccccc1 ZINC000858164615 1328701112 /nfs/dbraw/zinc/70/11/12/1328701112.db2.gz ADXWFLWLFURNCT-ZBEGNZNMSA-N 1 0 336.229 3.366 20 10 EGCDRO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000806663203 1317517402 /nfs/dbraw/zinc/51/74/02/1317517402.db2.gz UGSLSBYIUVETFL-KGLIPLIRSA-N 1 0 344.908 3.296 20 10 EGCDRO CNc1ccccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000902103199 1317523045 /nfs/dbraw/zinc/52/30/45/1317523045.db2.gz VVBWAWILLWLNBD-INIZCTEOSA-N 1 0 325.456 3.416 20 10 EGCDRO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448305 1317701845 /nfs/dbraw/zinc/70/18/45/1317701845.db2.gz MWUQPDCLOXXIED-UGSOOPFHSA-N 1 0 330.476 3.311 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@]3(C)C=CCC3)C2)cc1C ZINC001020481572 1317715246 /nfs/dbraw/zinc/71/52/46/1317715246.db2.gz QGYMKPJBGQVHQC-MBOZVWFJSA-N 1 0 328.456 3.097 20 10 EGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000808710802 1317719927 /nfs/dbraw/zinc/71/99/27/1317719927.db2.gz VPUQBZVQDZLBIX-QEORTHHSSA-N 1 0 325.836 3.343 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Cl)ccc3O)[C@H]2C1 ZINC000808724041 1317722925 /nfs/dbraw/zinc/72/29/25/1317722925.db2.gz RYNSYPLONBLTQY-DTJGQCLQSA-N 1 0 336.863 3.343 20 10 EGCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(C)c(C)c3O)[C@@H]2C1 ZINC000808723707 1317723422 /nfs/dbraw/zinc/72/34/22/1317723422.db2.gz PQGGXUMGJYVHHN-HYEGPXJVSA-N 1 0 330.472 3.307 20 10 EGCDRO COc1ccc(N2CC[NH+](CCCc3cnccc3C)CC2)cc1F ZINC000809593388 1317838095 /nfs/dbraw/zinc/83/80/95/1317838095.db2.gz NEPZUPFPWAIATQ-UHFFFAOYSA-N 1 0 343.446 3.293 20 10 EGCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000809688814 1317862833 /nfs/dbraw/zinc/86/28/33/1317862833.db2.gz FNIZLQDMPIRICG-MRXNPFEDSA-N 1 0 335.831 3.440 20 10 EGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Br)ccc1O ZINC000809724455 1317878345 /nfs/dbraw/zinc/87/83/45/1317878345.db2.gz KSOHSRBRAKCZQP-SWLSCSKDSA-N 1 0 339.277 3.213 20 10 EGCDRO [NH3+]CCN(Cc1cc(Cl)cc(F)c1O)c1ccccc1[N+](=O)[O-] ZINC000809728342 1317880180 /nfs/dbraw/zinc/88/01/80/1317880180.db2.gz SUWPNXXFGSPFKR-UHFFFAOYSA-N 1 0 339.754 3.058 20 10 EGCDRO [NH3+]CCN(Cc1c(O)ccc(Cl)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000809735243 1317883581 /nfs/dbraw/zinc/88/35/81/1317883581.db2.gz XCRUCSBJSYKQCC-UHFFFAOYSA-N 1 0 339.754 3.058 20 10 EGCDRO CCOc1cccc(CN(CC[NH+](C)C)Cc2ccc(F)cc2)c1O ZINC000809736239 1317884112 /nfs/dbraw/zinc/88/41/12/1317884112.db2.gz KZLPVSVTFUFYGE-UHFFFAOYSA-N 1 0 346.446 3.494 20 10 EGCDRO COc1cccc(O)c1CN(CCCc1ccccc1)CC[NH+](C)C ZINC000809736651 1317884167 /nfs/dbraw/zinc/88/41/67/1317884167.db2.gz DEPNZPIQRZUFIX-UHFFFAOYSA-N 1 0 342.483 3.397 20 10 EGCDRO Fc1cc(C[N@H+](Cc2cccnc2)C2CC2)ccc1N1CCOCC1 ZINC000809763085 1317893161 /nfs/dbraw/zinc/89/31/61/1317893161.db2.gz JBDHNPSRLHFTAZ-UHFFFAOYSA-N 1 0 341.430 3.222 20 10 EGCDRO CC[C@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(C(F)(F)F)cc1O ZINC000810239503 1317983977 /nfs/dbraw/zinc/98/39/77/1317983977.db2.gz VQXFDMAMBFBZBT-CABZTGNLSA-N 1 0 328.338 3.341 20 10 EGCDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(Br)cc1O ZINC000810259983 1317989935 /nfs/dbraw/zinc/98/99/35/1317989935.db2.gz ZCNLFXDUVMUTNN-HZMBPMFUSA-N 1 0 328.250 3.356 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(F)s3)C2)cc1C ZINC001021123556 1318105199 /nfs/dbraw/zinc/10/51/99/1318105199.db2.gz NINALNVWGIHWCX-HDJSIYSDSA-N 1 0 348.443 3.255 20 10 EGCDRO O=C(NC1CCCC1)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000811510380 1318188197 /nfs/dbraw/zinc/18/81/97/1318188197.db2.gz DLXREXWRIAMIKZ-KRWDZBQOSA-N 1 0 332.444 3.416 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccccc1O ZINC000812739977 1318446266 /nfs/dbraw/zinc/44/62/66/1318446266.db2.gz JTPPAAJMXNBDTG-BBRMVZONSA-N 1 0 328.387 3.378 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c(O)c1 ZINC000812741556 1318447540 /nfs/dbraw/zinc/44/75/40/1318447540.db2.gz VGHLKZALWQHIJP-KGLIPLIRSA-N 1 0 328.387 3.296 20 10 EGCDRO CCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCOCC1 ZINC000812835724 1318467286 /nfs/dbraw/zinc/46/72/86/1318467286.db2.gz ALDJBWRITNXVMJ-UHFFFAOYSA-N 1 0 332.488 3.460 20 10 EGCDRO CCOc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000813792320 1318632690 /nfs/dbraw/zinc/63/26/90/1318632690.db2.gz WCZRZQWNLNIOSY-HNNXBMFYSA-N 1 0 330.403 3.299 20 10 EGCDRO C[C@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])C[NH+](C)C ZINC000813878554 1318648962 /nfs/dbraw/zinc/64/89/62/1318648962.db2.gz PFBQWTHFABYNPJ-NXEZZACHSA-N 1 0 333.245 3.142 20 10 EGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815031242 1318872245 /nfs/dbraw/zinc/87/22/45/1318872245.db2.gz PBRYWCOOMZJLBZ-GOSISDBHSA-N 1 0 331.504 3.189 20 10 EGCDRO CCCNC(=O)C1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCCCC1 ZINC000815073264 1318883454 /nfs/dbraw/zinc/88/34/54/1318883454.db2.gz ZQESABFUCCIZNQ-UHFFFAOYSA-N 1 0 331.504 3.380 20 10 EGCDRO CS[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000815092552 1318888411 /nfs/dbraw/zinc/88/84/11/1318888411.db2.gz KHWSWJYFWJRNGD-RBUKOAKNSA-N 1 0 333.545 3.073 20 10 EGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2F)C[C@@H](C)O1 ZINC000815561644 1319016443 /nfs/dbraw/zinc/01/64/43/1319016443.db2.gz LHNSFHHHRORYRN-HBUWYVDXSA-N 1 0 336.451 3.096 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c(O)c1 ZINC000815596297 1319024652 /nfs/dbraw/zinc/02/46/52/1319024652.db2.gz PYECZTSRCMELSB-CQSZACIVSA-N 1 0 345.464 3.190 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816537361 1319177539 /nfs/dbraw/zinc/17/75/39/1319177539.db2.gz BMWVIPPLCUEWQT-UHFFFAOYSA-N 1 0 334.419 3.373 20 10 EGCDRO Oc1c(C[NH2+]CCCOCC2CCOCC2)ccc2ccccc21 ZINC000816553364 1319181643 /nfs/dbraw/zinc/18/16/43/1319181643.db2.gz SJPXOSCBWMUSTB-UHFFFAOYSA-N 1 0 329.440 3.468 20 10 EGCDRO Oc1c(C[NH+]2CCN(Cc3cccnc3)CC2)ccc2ccccc21 ZINC000816564631 1319184760 /nfs/dbraw/zinc/18/47/60/1319184760.db2.gz LKALQJPDTOZCOC-UHFFFAOYSA-N 1 0 333.435 3.258 20 10 EGCDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc3ccccc3c2O)CC1 ZINC000816567913 1319185952 /nfs/dbraw/zinc/18/59/52/1319185952.db2.gz PDXUFMWJUWFRQL-UHFFFAOYSA-N 1 0 326.440 3.425 20 10 EGCDRO CN(C)C(=O)OC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000816655077 1319201308 /nfs/dbraw/zinc/20/13/08/1319201308.db2.gz OOWVNTAZOHUGHP-UHFFFAOYSA-N 1 0 345.487 3.340 20 10 EGCDRO CO[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000816651797 1319202050 /nfs/dbraw/zinc/20/20/50/1319202050.db2.gz QCDVAYDLOWBUJW-FQEVSTJZSA-N 1 0 327.424 3.486 20 10 EGCDRO Cc1nccnc1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000816651920 1319202340 /nfs/dbraw/zinc/20/23/40/1319202340.db2.gz UKMXIZJQLLMHSK-UHFFFAOYSA-N 1 0 349.434 3.402 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CO)CC2)c1O ZINC000816666752 1319204721 /nfs/dbraw/zinc/20/47/21/1319204721.db2.gz VGFJVMZLITWNKY-LBPRGKRZSA-N 1 0 328.250 3.058 20 10 EGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817888202 1319451487 /nfs/dbraw/zinc/45/14/87/1319451487.db2.gz JQRAYWYRIIPONB-SLFFLAALSA-N 1 0 345.556 3.250 20 10 EGCDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)CCC2 ZINC000817938508 1319465778 /nfs/dbraw/zinc/46/57/78/1319465778.db2.gz LTUUGVUOVJDPOW-SFTDATJTSA-N 1 0 339.483 3.428 20 10 EGCDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)CC2 ZINC000817938767 1319466813 /nfs/dbraw/zinc/46/68/13/1319466813.db2.gz RQIUROHJZZFHTQ-UXHICEINSA-N 1 0 325.456 3.038 20 10 EGCDRO COc1ccc(C)cc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939102 1319467259 /nfs/dbraw/zinc/46/72/59/1319467259.db2.gz YWVUXMIWZXWCRF-HNAYVOBHSA-N 1 0 327.472 3.420 20 10 EGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938899 1319467287 /nfs/dbraw/zinc/46/72/87/1319467287.db2.gz VHBRYNXREVJTTI-SCLBCKFNSA-N 1 0 328.416 3.011 20 10 EGCDRO Cc1c([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942845 1319471052 /nfs/dbraw/zinc/47/10/52/1319471052.db2.gz RFQPTFLLROHOTK-LIRRHRJNSA-N 1 0 329.492 3.189 20 10 EGCDRO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817976246 1319484181 /nfs/dbraw/zinc/48/41/81/1319484181.db2.gz ISFNGPCEMFBCFP-NXEZZACHSA-N 1 0 333.245 3.462 20 10 EGCDRO COC[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCC[NH2+]1 ZINC000817975847 1319484351 /nfs/dbraw/zinc/48/43/51/1319484351.db2.gz YHXUBPNYJJLOMQ-BONVTDFDSA-N 1 0 333.259 3.118 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1 ZINC000817996549 1319488618 /nfs/dbraw/zinc/48/86/18/1319488618.db2.gz HYHYSKKWLTWRCY-FZKQIMNGSA-N 1 0 342.439 3.304 20 10 EGCDRO COC(OC)c1ccc(F)c(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000818174387 1319510264 /nfs/dbraw/zinc/51/02/64/1319510264.db2.gz SHFGKCKBDWDXHL-UHFFFAOYSA-N 1 0 332.419 3.473 20 10 EGCDRO CCn1nc(C)c(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)c1C ZINC000818221237 1319521130 /nfs/dbraw/zinc/52/11/30/1319521130.db2.gz PLECSUUEHVZVTD-KRWDZBQOSA-N 1 0 342.487 3.145 20 10 EGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(OC)c3F)C2)cc1 ZINC000818222929 1319522764 /nfs/dbraw/zinc/52/27/64/1319522764.db2.gz YCVRYCTXEMDUPV-HNNXBMFYSA-N 1 0 344.430 3.459 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(C)nn(C)c3Cl)C2)cc1 ZINC000818222620 1319523096 /nfs/dbraw/zinc/52/30/96/1319523096.db2.gz ZCCAFGPFUHBTBD-CQSZACIVSA-N 1 0 348.878 3.007 20 10 EGCDRO CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341614 1319531060 /nfs/dbraw/zinc/53/10/60/1319531060.db2.gz BUPMBRVYVJDUCV-HOTGVXAUSA-N 1 0 328.460 3.089 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(OC(C)(C)C)C3)C2)cc1 ZINC000818341801 1319531086 /nfs/dbraw/zinc/53/10/86/1319531086.db2.gz GQXNGWYAGOFEKH-MDCZIUGASA-N 1 0 332.488 3.457 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000818942039 1319583410 /nfs/dbraw/zinc/58/34/10/1319583410.db2.gz WIHPXCFJNRMUCR-UHFFFAOYSA-N 1 0 333.382 3.149 20 10 EGCDRO CC(C)[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1ccc(N(C)C)cc1 ZINC000917074771 1319750046 /nfs/dbraw/zinc/75/00/46/1319750046.db2.gz FZPQZCUORSTCGI-QZTJIDSGSA-N 1 0 345.531 3.468 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000822494029 1320088614 /nfs/dbraw/zinc/08/86/14/1320088614.db2.gz DSIXQSKEQUOCRV-MRXNPFEDSA-N 1 0 337.467 3.195 20 10 EGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1F ZINC000822504594 1320090374 /nfs/dbraw/zinc/09/03/74/1320090374.db2.gz WPKKMOKINFIXAT-MRXNPFEDSA-N 1 0 331.439 3.101 20 10 EGCDRO CCOC(=O)CN(Cc1ccccc1O)[C@@H](C)Cc1ccsc1 ZINC000822511332 1320091175 /nfs/dbraw/zinc/09/11/75/1320091175.db2.gz DFYDYUGSPDUTAU-AWEZNQCLSA-N 1 0 333.453 3.450 20 10 EGCDRO Oc1cc2c(cc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)OCO2 ZINC000822525618 1320093928 /nfs/dbraw/zinc/09/39/28/1320093928.db2.gz KATKRTDTQXBKAO-RDTXWAMCSA-N 1 0 347.798 3.082 20 10 EGCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000823670962 1320197011 /nfs/dbraw/zinc/19/70/11/1320197011.db2.gz GLTJTQSGGSRRCO-SZOQZIPDSA-N 1 0 338.492 3.280 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C ZINC000823753509 1320203937 /nfs/dbraw/zinc/20/39/37/1320203937.db2.gz WSQYIRWXGFTXIQ-HNNXBMFYSA-N 1 0 347.480 3.300 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H](C)O1 ZINC000823955099 1320218420 /nfs/dbraw/zinc/21/84/20/1320218420.db2.gz HGZHJYYWOUGPBN-WBOJAVRRSA-N 1 0 340.414 3.412 20 10 EGCDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000824085948 1320227760 /nfs/dbraw/zinc/22/77/60/1320227760.db2.gz REYGDHXKQKVRQM-IRXDYDNUSA-N 1 0 329.488 3.057 20 10 EGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCC34CCC4)cc2)C1 ZINC000824085290 1320227911 /nfs/dbraw/zinc/22/79/11/1320227911.db2.gz LYFHXFUGMWJVIW-HKUYNNGSSA-N 1 0 341.499 3.201 20 10 EGCDRO COCC1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000824376784 1320252768 /nfs/dbraw/zinc/25/27/68/1320252768.db2.gz OCYSFYQFFJUCQD-UHFFFAOYSA-N 1 0 328.250 3.450 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1C ZINC000825118530 1320312700 /nfs/dbraw/zinc/31/27/00/1320312700.db2.gz UAWPZZCJTKBNDA-NZSAHSFTSA-N 1 0 343.471 3.492 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(C)n1-c1ccccc1C ZINC000825189263 1320317558 /nfs/dbraw/zinc/31/75/58/1320317558.db2.gz ZEPWQLUHHQQIQZ-DLBZAZTESA-N 1 0 325.456 3.260 20 10 EGCDRO CCOc1ccc(O)c(C[NH+]2CCC(OCCOC(C)C)CC2)c1 ZINC000825207355 1320318232 /nfs/dbraw/zinc/31/82/32/1320318232.db2.gz IZLBHHDEZZXWPA-UHFFFAOYSA-N 1 0 337.460 3.197 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000825206388 1320318241 /nfs/dbraw/zinc/31/82/41/1320318241.db2.gz YMBBLYAMCPOGPG-OAHLLOKOSA-N 1 0 328.250 3.186 20 10 EGCDRO COCC1(C[NH2+]Cc2cc(Br)ccc2O)CCCC1 ZINC000825244901 1320321566 /nfs/dbraw/zinc/32/15/66/1320321566.db2.gz BAHBPOJYWXESFA-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1Cl ZINC000825265947 1320322728 /nfs/dbraw/zinc/32/27/28/1320322728.db2.gz GQISSBUFHWCUFR-INIZCTEOSA-N 1 0 338.879 3.087 20 10 EGCDRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000825283320 1320323026 /nfs/dbraw/zinc/32/30/26/1320323026.db2.gz IYANWPCPNVXJKQ-INIZCTEOSA-N 1 0 336.229 3.152 20 10 EGCDRO COC[C@H]([NH2+]Cc1ccc(Br)cc1O)c1ccco1 ZINC000825325145 1320327583 /nfs/dbraw/zinc/32/75/83/1320327583.db2.gz BJASFTQKNMTVJZ-LBPRGKRZSA-N 1 0 326.190 3.225 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1Cl ZINC000825357382 1320331393 /nfs/dbraw/zinc/33/13/93/1320331393.db2.gz DOKRFVVDPRVWQM-CYBMUJFWSA-N 1 0 335.810 3.257 20 10 EGCDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825927334 1320371523 /nfs/dbraw/zinc/37/15/23/1320371523.db2.gz BXBIYNPUVOPYLK-HNNXBMFYSA-N 1 0 328.250 3.282 20 10 EGCDRO OC[C@H]([C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1)C1CC1 ZINC000826063980 1320381538 /nfs/dbraw/zinc/38/15/38/1320381538.db2.gz BQQNNRRYAJYEDX-HOCLYGCPSA-N 1 0 340.261 3.041 20 10 EGCDRO Cc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1N1CCCCC1 ZINC000827426035 1320452095 /nfs/dbraw/zinc/45/20/95/1320452095.db2.gz OTOCNONSDIJMHC-UHFFFAOYSA-N 1 0 329.488 3.073 20 10 EGCDRO COc1c(O)c(C[NH+]2CC(Cc3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000839132042 1320877699 /nfs/dbraw/zinc/87/76/99/1320877699.db2.gz VPBQCINQEDYUQU-UHFFFAOYSA-N 1 0 342.395 3.292 20 10 EGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(C)cc1O ZINC000840796534 1321149959 /nfs/dbraw/zinc/14/99/59/1321149959.db2.gz GCGLXHKFWMZQRL-AEFFLSMTSA-N 1 0 349.471 3.157 20 10 EGCDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000840809382 1321153762 /nfs/dbraw/zinc/15/37/62/1321153762.db2.gz RPRIGCANQLBJSE-WBVHZDCISA-N 1 0 329.440 3.444 20 10 EGCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840892768 1321171728 /nfs/dbraw/zinc/17/17/28/1321171728.db2.gz CXFUTLNFQUBJFT-DLBZAZTESA-N 1 0 333.520 3.229 20 10 EGCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000840905379 1321174098 /nfs/dbraw/zinc/17/40/98/1321174098.db2.gz QFIPYVVNIFGSKL-OAHLLOKOSA-N 1 0 348.397 3.145 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000840911080 1321175389 /nfs/dbraw/zinc/17/53/89/1321175389.db2.gz WJYKGQWCYOXHMO-MRXNPFEDSA-N 1 0 333.476 3.160 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000840913133 1321176245 /nfs/dbraw/zinc/17/62/45/1321176245.db2.gz SBGZEFVBJWHEFH-QGZVFWFLSA-N 1 0 331.504 3.045 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000840915532 1321176630 /nfs/dbraw/zinc/17/66/30/1321176630.db2.gz CRFMJALLZDXALS-QHCPKHFHSA-N 1 0 330.497 3.430 20 10 EGCDRO CC[N@H+](Cc1ccc(C)nn1)Cc1cc(Br)ccc1O ZINC000840922574 1321177978 /nfs/dbraw/zinc/17/79/78/1321177978.db2.gz MPHRETNDWYIRBJ-UHFFFAOYSA-N 1 0 336.233 3.275 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000840932674 1321180382 /nfs/dbraw/zinc/18/03/82/1321180382.db2.gz HXOXCDFGLLIVJI-UHFFFAOYSA-N 1 0 337.467 3.243 20 10 EGCDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000840939086 1321181439 /nfs/dbraw/zinc/18/14/39/1321181439.db2.gz KLDHQASTZXWIFN-UHFFFAOYSA-N 1 0 347.484 3.027 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000840950711 1321184887 /nfs/dbraw/zinc/18/48/87/1321184887.db2.gz NDMUZWGLEDBQEG-ICSRJNTNSA-N 1 0 325.456 3.466 20 10 EGCDRO C[NH+](C)Cc1ccc(NCc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000840957569 1321186823 /nfs/dbraw/zinc/18/68/23/1321186823.db2.gz KWIGKDPSCRGSTH-UHFFFAOYSA-N 1 0 343.446 3.336 20 10 EGCDRO COc1c(Br)cccc1C[NH2+]CCc1ccc(N)cc1 ZINC000841034637 1321205596 /nfs/dbraw/zinc/20/55/96/1321205596.db2.gz IRDVUWCXNSXGIC-UHFFFAOYSA-N 1 0 335.245 3.372 20 10 EGCDRO CC(C)C[C@@H](CN)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841039004 1321206488 /nfs/dbraw/zinc/20/64/88/1321206488.db2.gz WTTVEIPRHYRDHF-SFHVURJKSA-N 1 0 328.456 3.434 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000841046263 1321209407 /nfs/dbraw/zinc/20/94/07/1321209407.db2.gz YQZRXPDBPCVJPU-QGZVFWFLSA-N 1 0 348.834 3.104 20 10 EGCDRO C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000841099576 1321218249 /nfs/dbraw/zinc/21/82/49/1321218249.db2.gz MGGDBOXJGAVCDI-RDJZCZTQSA-N 1 0 346.475 3.002 20 10 EGCDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000841300678 1321250114 /nfs/dbraw/zinc/25/01/14/1321250114.db2.gz ZLNAYISDVPIRLS-RDTXWAMCSA-N 1 0 326.444 3.390 20 10 EGCDRO CN(C)c1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000841385332 1321267435 /nfs/dbraw/zinc/26/74/35/1321267435.db2.gz AZAVWACTMXHHKC-IBGZPJMESA-N 1 0 343.446 3.201 20 10 EGCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841745066 1321305391 /nfs/dbraw/zinc/30/53/91/1321305391.db2.gz NBYQYCXGCWXLEP-HIFRSBDPSA-N 1 0 335.831 3.445 20 10 EGCDRO CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841745591 1321305571 /nfs/dbraw/zinc/30/55/71/1321305571.db2.gz QNICVCNBHHYFQB-OAHLLOKOSA-N 1 0 339.911 3.114 20 10 EGCDRO CN(C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C1CC([NH3+])C1 ZINC000841758255 1321307167 /nfs/dbraw/zinc/30/71/67/1321307167.db2.gz KVFAAPOAGFJZMJ-UHFFFAOYSA-N 1 0 344.503 3.087 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000841949523 1321331882 /nfs/dbraw/zinc/33/18/82/1321331882.db2.gz PCFBYWZGSQPYAV-PKOBYXMFSA-N 1 0 346.519 3.190 20 10 EGCDRO CC(C)C[C@H](C[NH3+])NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841953034 1321332010 /nfs/dbraw/zinc/33/20/10/1321332010.db2.gz BMHGAYKHJHTIGJ-GOSISDBHSA-N 1 0 346.519 3.192 20 10 EGCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000841959311 1321332122 /nfs/dbraw/zinc/33/21/22/1321332122.db2.gz PNYXEXNIJRCDPC-AWEZNQCLSA-N 1 0 349.475 3.073 20 10 EGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000841959314 1321332612 /nfs/dbraw/zinc/33/26/12/1321332612.db2.gz PNYXEXNIJRCDPC-CQSZACIVSA-N 1 0 349.475 3.073 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000841970201 1321333209 /nfs/dbraw/zinc/33/32/09/1321333209.db2.gz RWSDNRNQQUBQDO-UHFFFAOYSA-N 1 0 346.519 3.064 20 10 EGCDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC[NH2+]1 ZINC000841989275 1321333756 /nfs/dbraw/zinc/33/37/56/1321333756.db2.gz UCUVSHYHOGWBSP-NVXWUHKLSA-N 1 0 345.487 3.377 20 10 EGCDRO CC[C@@H]1CN(Cc2cc(Br)cc(C)c2O)CC[C@H]1[NH3+] ZINC000843052336 1321462389 /nfs/dbraw/zinc/46/23/89/1321462389.db2.gz OWDNYFHGWXLLFW-BXUZGUMPSA-N 1 0 327.266 3.022 20 10 EGCDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350786 1321503959 /nfs/dbraw/zinc/50/39/59/1321503959.db2.gz YQFMPJPSAHWLFU-QAPCUYQASA-N 1 0 329.488 3.078 20 10 EGCDRO C[C@@H](c1nnnn1C1CCCCC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843352169 1321504358 /nfs/dbraw/zinc/50/43/58/1321504358.db2.gz RUXSHMKXAXHNBJ-AWEZNQCLSA-N 1 0 340.475 3.151 20 10 EGCDRO COC(=O)[C@H](c1cccc(Cl)c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843351003 1321504517 /nfs/dbraw/zinc/50/45/17/1321504517.db2.gz ZRGTVGGPKZFINN-SFHVURJKSA-N 1 0 344.842 3.466 20 10 EGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c1O ZINC000843421341 1321515233 /nfs/dbraw/zinc/51/52/33/1321515233.db2.gz BTDMISTUSCATSS-CQSZACIVSA-N 1 0 325.412 3.081 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c1 ZINC000843423013 1321516549 /nfs/dbraw/zinc/51/65/49/1321516549.db2.gz ZCXYGLNVLSSXBL-FQEVSTJZSA-N 1 0 327.424 3.057 20 10 EGCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000843487948 1321522210 /nfs/dbraw/zinc/52/22/10/1321522210.db2.gz MPTAYGBNRXLJBN-HRCADAONSA-N 1 0 326.440 3.465 20 10 EGCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)[C@H](C)CO1 ZINC000844390825 1321599104 /nfs/dbraw/zinc/59/91/04/1321599104.db2.gz KOJCQQUAGYMMHT-APWZRJJASA-N 1 0 332.488 3.301 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1O ZINC000846142491 1321770803 /nfs/dbraw/zinc/77/08/03/1321770803.db2.gz UNFPUDPKRYJXKY-ZDUSSCGKSA-N 1 0 328.412 3.435 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1O ZINC000846141932 1321770964 /nfs/dbraw/zinc/77/09/64/1321770964.db2.gz BXQRVIGWYHVINC-DZGCQCFKSA-N 1 0 333.403 3.042 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)c1O ZINC000846144372 1321771366 /nfs/dbraw/zinc/77/13/66/1321771366.db2.gz LXRQFAGZBNOMEU-ZDUSSCGKSA-N 1 0 338.411 3.141 20 10 EGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)c1O ZINC000846160618 1321772927 /nfs/dbraw/zinc/77/29/27/1321772927.db2.gz ULKCYCMIZYVVGC-LPRCSBTHSA-N 1 0 335.444 3.373 20 10 EGCDRO COc1cccc([C@@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1O ZINC000846159922 1321773046 /nfs/dbraw/zinc/77/30/46/1321773046.db2.gz NSADHCWQFBGGRC-OAHLLOKOSA-N 1 0 341.455 3.326 20 10 EGCDRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000846209957 1321776018 /nfs/dbraw/zinc/77/60/18/1321776018.db2.gz UKKFFSNCYGKODP-KRWDZBQOSA-N 1 0 329.488 3.340 20 10 EGCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)CC1(Br)CC1 ZINC000846825809 1321813329 /nfs/dbraw/zinc/81/33/29/1321813329.db2.gz WNDJNQWQRPQXBQ-CQSZACIVSA-N 1 0 340.261 3.301 20 10 EGCDRO Cc1cnc(OC2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)nc1 ZINC000847029072 1321835236 /nfs/dbraw/zinc/83/52/36/1321835236.db2.gz WIHUHJOFCGBFQF-UHFFFAOYSA-N 1 0 340.471 3.203 20 10 EGCDRO CCc1cccc(C[NH2+]CC2(N3CCC(OC)CC3)CCCC2)c1O ZINC000848897771 1322036591 /nfs/dbraw/zinc/03/65/91/1322036591.db2.gz VLZTUFKVTDYCPA-UHFFFAOYSA-N 1 0 346.515 3.468 20 10 EGCDRO CCCN(Cc1ccc(/C=C/C(=O)OC)o1)c1ccc(C[NH3+])cc1 ZINC000848908222 1322041556 /nfs/dbraw/zinc/04/15/56/1322041556.db2.gz ZGWBLVSYEGTZOM-ZHACJKMWSA-N 1 0 328.412 3.341 20 10 EGCDRO CCc1cccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000848905260 1322041946 /nfs/dbraw/zinc/04/19/46/1322041946.db2.gz FTIRNFCQIVMEBY-IBGZPJMESA-N 1 0 338.451 3.188 20 10 EGCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000848930905 1322048950 /nfs/dbraw/zinc/04/89/50/1322048950.db2.gz YJGBQSRABVCKLQ-UHFFFAOYSA-N 1 0 349.814 3.060 20 10 EGCDRO COc1cc(C[NH2+]C[C@H](C)Cn2cccn2)c(O)c(C(C)(C)C)c1 ZINC000850042395 1322187367 /nfs/dbraw/zinc/18/73/67/1322187367.db2.gz YAYVYGPBRZSLJS-AWEZNQCLSA-N 1 0 331.460 3.321 20 10 EGCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000850099788 1322192326 /nfs/dbraw/zinc/19/23/26/1322192326.db2.gz YHFYMQBRSLVEOE-UHFFFAOYSA-N 1 0 338.377 3.111 20 10 EGCDRO COc1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c(O)c(C(C)(C)C)c1 ZINC000850236043 1322212311 /nfs/dbraw/zinc/21/23/11/1322212311.db2.gz PHNABWIVAASSBU-MRXNPFEDSA-N 1 0 349.471 3.474 20 10 EGCDRO COc1cc(C[NH2+][C@H](c2nncn2C)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850294223 1322224158 /nfs/dbraw/zinc/22/41/58/1322224158.db2.gz YJBCGIZBTYRLKK-INIZCTEOSA-N 1 0 346.475 3.314 20 10 EGCDRO COc1cccc(C[NH2+]Cc2cc(F)ccc2OC(F)F)c1O ZINC000850408822 1322241143 /nfs/dbraw/zinc/24/11/43/1322241143.db2.gz UQQOAEMNGBTODK-UHFFFAOYSA-N 1 0 327.302 3.431 20 10 EGCDRO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000850557859 1322267699 /nfs/dbraw/zinc/26/76/99/1322267699.db2.gz YVUVFWQJUQQFQR-YPMHNXCESA-N 1 0 327.266 3.290 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)C[NH+](CC)CC)cc1 ZINC000921122308 1322259650 /nfs/dbraw/zinc/25/96/50/1322259650.db2.gz VNXAKISOIJLOBW-QGZVFWFLSA-N 1 0 348.535 3.405 20 10 EGCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccccc1O ZINC000850516290 1322259829 /nfs/dbraw/zinc/25/98/29/1322259829.db2.gz UMQPCUVCPVFELF-RDTXWAMCSA-N 1 0 340.423 3.247 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c(O)c1 ZINC000850532863 1322261967 /nfs/dbraw/zinc/26/19/67/1322261967.db2.gz YQWNGTFOZYIYDI-AWEZNQCLSA-N 1 0 325.474 3.099 20 10 EGCDRO CC[C@@H]([NH2+]CCN(C)C(=O)OC)c1ccc(C(F)(F)F)cc1O ZINC000850547054 1322263745 /nfs/dbraw/zinc/26/37/45/1322263745.db2.gz ABTYWAWQTBYFCK-GFCCVEGCSA-N 1 0 334.338 3.150 20 10 EGCDRO CCOC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850568859 1322269972 /nfs/dbraw/zinc/26/99/72/1322269972.db2.gz LMAQSWNCOCQWLR-UHFFFAOYSA-N 1 0 332.488 3.085 20 10 EGCDRO CC(C)[C@H]([NH2+]Cc1c(O)cccc1Br)c1cnn(C)c1 ZINC000922890266 1322641876 /nfs/dbraw/zinc/64/18/76/1322641876.db2.gz KNMCKABYLAYJQY-HNNXBMFYSA-N 1 0 338.249 3.375 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H](C)C3CC3)C2)cc1C ZINC001023918525 1323024612 /nfs/dbraw/zinc/02/46/12/1323024612.db2.gz OIXVTJCEGYOOFY-SJLPKXTDSA-N 1 0 344.499 3.378 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1cc(C2CC2)no1)C[C@H]1CCCO1 ZINC000851841846 1323099758 /nfs/dbraw/zinc/09/97/58/1323099758.db2.gz YIEHDDCCOZRSKK-MRXNPFEDSA-N 1 0 328.412 3.439 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000851903256 1323111511 /nfs/dbraw/zinc/11/15/11/1323111511.db2.gz WUPUYTVINQJRRN-LSDHHAIUSA-N 1 0 348.487 3.336 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)[C@@H]3CCO)cc2)CC1 ZINC000852460242 1323194990 /nfs/dbraw/zinc/19/49/90/1323194990.db2.gz BCAHGUZSCSMXJE-UWJYYQICSA-N 1 0 346.515 3.285 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)ccc1N1CCCCC1 ZINC000852497234 1323199127 /nfs/dbraw/zinc/19/91/27/1323199127.db2.gz UNXMYWNBPRSKQV-RTBURBONSA-N 1 0 341.499 3.086 20 10 EGCDRO CCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)C1 ZINC000852631130 1323218837 /nfs/dbraw/zinc/21/88/37/1323218837.db2.gz IGFNFPOILKXKER-SFHVURJKSA-N 1 0 346.519 3.159 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccoc2)cc1C ZINC001024869475 1323757682 /nfs/dbraw/zinc/75/76/82/1323757682.db2.gz OFLWDHLQKULQHX-GOSISDBHSA-N 1 0 342.439 3.381 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccccc3)C2)cc1C ZINC001026651451 1324951111 /nfs/dbraw/zinc/95/11/11/1324951111.db2.gz BUWUQQBMOVQBAS-GOSISDBHSA-N 1 0 338.451 3.256 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)cc1C ZINC001026680126 1324971074 /nfs/dbraw/zinc/97/10/74/1324971074.db2.gz RJWUMYINMKBBLY-RBUKOAKNSA-N 1 0 342.483 3.298 20 10 EGCDRO Cc1cc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000853541100 1325119037 /nfs/dbraw/zinc/11/90/37/1325119037.db2.gz NYNUOQPKFLHEOB-HNNXBMFYSA-N 1 0 332.444 3.025 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000857005668 1325554003 /nfs/dbraw/zinc/55/40/03/1325554003.db2.gz OFIMNFNPWWZACX-KRWDZBQOSA-N 1 0 331.504 3.269 20 10 EGCDRO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000927005934 1327817046 /nfs/dbraw/zinc/81/70/46/1327817046.db2.gz ROUSBISSNNJWSX-INIZCTEOSA-N 1 0 330.472 3.481 20 10 EGCDRO Oc1cccc(Br)c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000862234177 1329468993 /nfs/dbraw/zinc/46/89/93/1329468993.db2.gz GSGLFCQJIVRNQX-ZDUSSCGKSA-N 1 0 339.277 3.215 20 10 EGCDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862388229 1329481265 /nfs/dbraw/zinc/48/12/65/1329481265.db2.gz YDCJXBPGVRMDDE-NSHDSACASA-N 1 0 328.250 3.138 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000862755062 1329506678 /nfs/dbraw/zinc/50/66/78/1329506678.db2.gz BPNNWROFUWVREF-LJQANCHMSA-N 1 0 338.451 3.196 20 10 EGCDRO Cc1ccc(O)c(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)c1 ZINC000863937063 1329589796 /nfs/dbraw/zinc/58/97/96/1329589796.db2.gz JIWDPIMMUBJPQL-GOSISDBHSA-N 1 0 338.451 3.440 20 10 EGCDRO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000933567220 1329901599 /nfs/dbraw/zinc/90/15/99/1329901599.db2.gz IGRCNYKBTRCKGX-INIZCTEOSA-N 1 0 328.460 3.207 20 10 EGCDRO C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000866436245 1330112214 /nfs/dbraw/zinc/11/22/14/1330112214.db2.gz LJCLDYMQUATIPJ-UFBFGSQYSA-N 1 0 334.729 3.091 20 10 EGCDRO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016370256 1338573109 /nfs/dbraw/zinc/57/31/09/1338573109.db2.gz ZSXCKNGMXINYGT-INIZCTEOSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2occc2C)cc1C ZINC001034860636 1342809657 /nfs/dbraw/zinc/80/96/57/1342809657.db2.gz XUYQDILHVSIYKE-QGZVFWFLSA-N 1 0 342.439 3.299 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C)C2CC2)cc1C ZINC001034895251 1342825126 /nfs/dbraw/zinc/82/51/26/1342825126.db2.gz AMJMUBZLAMGYDX-MAUKXSAKSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C=C2CCC2)cc1C ZINC001034904713 1342830871 /nfs/dbraw/zinc/83/08/71/1342830871.db2.gz NDYCNDFEXCTGJZ-GOSISDBHSA-N 1 0 328.456 3.195 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(C)CCC2)cc1C ZINC001035014352 1342876498 /nfs/dbraw/zinc/87/64/98/1342876498.db2.gz QMEBIZIDQLUFEQ-QGZVFWFLSA-N 1 0 330.472 3.274 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C)C(C)C)cc1C ZINC001035067671 1342908853 /nfs/dbraw/zinc/90/88/53/1342908853.db2.gz OMSJUYIHLWSYSF-FUHWJXTLSA-N 1 0 332.488 3.376 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C=C(C)C)C[C@H]2C)cc1C ZINC001035893906 1343254318 /nfs/dbraw/zinc/25/43/18/1343254318.db2.gz VWNKEHHXDOWQNB-AEFFLSMTSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C(C)(C)C)cc1C ZINC001037141240 1343990745 /nfs/dbraw/zinc/99/07/45/1343990745.db2.gz YKJXYSOVRWCGNC-DLBZAZTESA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)/C=C\C3CC3)[C@H](C)C2)cc1C ZINC001044531770 1346359607 /nfs/dbraw/zinc/35/96/07/1346359607.db2.gz OXLXGBWMORYYGE-AGRFBSDFSA-N 1 0 342.483 3.439 20 10 EGCDRO C/C=C(\C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001044536428 1346361759 /nfs/dbraw/zinc/36/17/59/1346361759.db2.gz VREJUCZCJYBIJA-DOAMCODZSA-N 1 0 330.472 3.439 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2occc2C)cc1C ZINC001044926889 1346464626 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20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C=C3CCC3)C[C@H]2C)cc1C ZINC001048207115 1347494609 /nfs/dbraw/zinc/49/46/09/1347494609.db2.gz AUYLUIISEHNKBA-VQIMIIECSA-N 1 0 342.483 3.298 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC3(C)CC3)C[C@H]2C)cc1C ZINC001048322104 1347517956 /nfs/dbraw/zinc/51/79/56/1347517956.db2.gz OFLBJABTZHTLIK-AEFFLSMTSA-N 1 0 344.499 3.378 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C=C3CCC3)C[C@H]2C)cc1C ZINC001054574440 1349404373 /nfs/dbraw/zinc/40/43/73/1349404373.db2.gz WQEFJWQSRSSRHP-QAPCUYQASA-N 1 0 328.456 3.050 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3cocc3C)C[C@@H]2C)cc1C ZINC001054981930 1349536939 /nfs/dbraw/zinc/53/69/39/1349536939.db2.gz QGJDAUZYODWVDB-KSSFIOAISA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(C)(C)C3CC3)C[C@@H]2C)cc1C ZINC001054992782 1349542880 /nfs/dbraw/zinc/54/28/80/1349542880.db2.gz WGLGYOCRLXIFFO-YJBOKZPZSA-N 1 0 344.499 3.376 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1O ZINC001233108397 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CCN(CC)c1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)c(O)c1 ZINC001210215707 1372295931 /nfs/dbraw/zinc/29/59/31/1372295931.db2.gz LNRMDCRGPGCASB-FQEVSTJZSA-N 1 0 339.483 3.385 20 10 EGCDRO C[NH+]1CCC(c2ccc(N(CCO)c3ccc(N)cc3)cc2)CC1 ZINC001212689612 1372753324 /nfs/dbraw/zinc/75/33/24/1372753324.db2.gz DULIWDIQXJZVTF-UHFFFAOYSA-N 1 0 325.456 3.208 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC(F)(F)C2)cc1C ZINC001128996161 1373332476 /nfs/dbraw/zinc/33/24/76/1373332476.db2.gz NRDBWQDDQGKBPO-CQSZACIVSA-N 1 0 340.414 3.035 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)cc1 ZINC001326643336 1388266484 /nfs/dbraw/zinc/26/64/84/1388266484.db2.gz NLEZTZKTWLQENW-UHFFFAOYSA-N 1 0 339.361 3.379 20 10 EGCDRO COC(=O)c1ccc([C@@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001218054101 1373548922 /nfs/dbraw/zinc/54/89/22/1373548922.db2.gz IWSKJJZKXAAYQG-OAHLLOKOSA-N 1 0 340.423 3.023 20 10 EGCDRO O=C1C=CC=CC1=NNc1ccccc1O[C@@H]1COC2(C[NH2+]C2)C1 ZINC001218061769 1373550360 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CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001230310452 1375992551 /nfs/dbraw/zinc/99/25/51/1375992551.db2.gz QPSGFCGORPHFPF-HZPDHXFCSA-N 1 0 345.447 3.280 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2ccco2)cc1C ZINC001133573621 1376099330 /nfs/dbraw/zinc/09/93/30/1376099330.db2.gz XJKMUZPKEDUTFT-GJZGRUSLSA-N 1 0 330.428 3.283 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cncs2)cc1C ZINC001133879560 1376247843 /nfs/dbraw/zinc/24/78/43/1376247843.db2.gz COADRCSYEJRTGU-ZIAGYGMSSA-N 1 0 347.484 3.147 20 10 EGCDRO CCOc1cccc(N2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC001231592145 1376273408 /nfs/dbraw/zinc/27/34/08/1376273408.db2.gz DPIXHEDCFNQDGB-UHFFFAOYSA-N 1 0 326.440 3.422 20 10 EGCDRO COc1cc(C[NH+]2CCN(c3ccc(C)cc3C)CC2)c(O)cc1O ZINC001231637680 1376289355 /nfs/dbraw/zinc/28/93/55/1376289355.db2.gz QKDCHFPVZWSZBX-UHFFFAOYSA-N 1 0 342.439 3.045 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2CC=CC2)cc1C ZINC001133975162 1376292765 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COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)c2cccc(C)c2)cc1C ZINC001134473041 1376556797 /nfs/dbraw/zinc/55/67/97/1376556797.db2.gz VUWJMXNDHXZNKD-KRWDZBQOSA-N 1 0 340.467 3.322 20 10 EGCDRO CCOC(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286596 1376604273 /nfs/dbraw/zinc/60/42/73/1376604273.db2.gz AGUCXRAZWPKILZ-UHFFFAOYSA-N 1 0 334.460 3.400 20 10 EGCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3nnc(C)o3)CC2)c1O ZINC001233290782 1376605574 /nfs/dbraw/zinc/60/55/74/1376605574.db2.gz VWZDHACVZFAFLF-UHFFFAOYSA-N 1 0 337.807 3.125 20 10 EGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1O ZINC001233289071 1376606875 /nfs/dbraw/zinc/60/68/75/1376606875.db2.gz IQBBUNUTNMRBEA-DLBZAZTESA-N 1 0 347.842 3.232 20 10 EGCDRO Oc1ccc(F)c(F)c1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001233336173 1376618802 /nfs/dbraw/zinc/61/88/02/1376618802.db2.gz BKCMALNFZSNTSG-CRAIPNDOSA-N 1 0 344.405 3.377 20 10 EGCDRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482414 1376653428 /nfs/dbraw/zinc/65/34/28/1376653428.db2.gz MRKNXVCKYYCBHX-UHFFFAOYSA-N 1 0 345.370 3.037 20 10 EGCDRO Oc1ccc(Br)cc1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038190 1376836899 /nfs/dbraw/zinc/83/68/99/1376836899.db2.gz DNLYKESQHAIOJK-MRXNPFEDSA-N 1 0 339.277 3.263 20 10 EGCDRO Oc1cc(O)c(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)cc1Cl ZINC001236128828 1376934556 /nfs/dbraw/zinc/93/45/56/1376934556.db2.gz JCIVUMPDFFIGSM-OAHLLOKOSA-N 1 0 336.794 3.037 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@]1(C)O ZINC001237052906 1376971766 /nfs/dbraw/zinc/97/17/66/1376971766.db2.gz DUVPNXSWWOMQAH-WBMJQRKESA-N 1 0 347.377 3.316 20 10 EGCDRO CC(C)c1ccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c(O)c1 ZINC001237053612 1376972028 /nfs/dbraw/zinc/97/20/28/1376972028.db2.gz OPKBWLXJIVWXHI-UHFFFAOYSA-N 1 0 330.472 3.396 20 10 EGCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001249208318 1377073263 /nfs/dbraw/zinc/07/32/63/1377073263.db2.gz RVECCRROPAHJKT-UHFFFAOYSA-N 1 0 345.826 3.319 20 10 EGCDRO CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(N2CCCCC2)cc1 ZINC001138215717 1377690561 /nfs/dbraw/zinc/69/05/61/1377690561.db2.gz QXEVZRQGDDBRRE-FXAWDEMLSA-N 1 0 328.456 3.204 20 10 EGCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C ZINC001138219545 1377690777 /nfs/dbraw/zinc/69/07/77/1377690777.db2.gz GGHWRSYGNNSPND-VQIMIIECSA-N 1 0 330.472 3.450 20 10 EGCDRO O=C1CCC[C@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)N1 ZINC001138218951 1377690805 /nfs/dbraw/zinc/69/08/05/1377690805.db2.gz ZGTGPWWDUFXIRR-OAQYLSRUSA-N 1 0 341.499 3.312 20 10 EGCDRO Cc1c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c2ccccc2n1C ZINC001138256783 1377694960 /nfs/dbraw/zinc/69/49/60/1377694960.db2.gz KPLYWRZNCYXGPJ-FQEVSTJZSA-N 1 0 339.483 3.464 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc2c3c1CCCN3CCC2 ZINC001138336488 1377704396 /nfs/dbraw/zinc/70/43/96/1377704396.db2.gz BDKPOQUYGDOVIX-SFHVURJKSA-N 1 0 349.478 3.476 20 10 EGCDRO C[C@@]1(F)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1F ZINC001138338122 1377705246 /nfs/dbraw/zinc/70/52/46/1377705246.db2.gz KHRINGPVKGXEDX-VQIMIIECSA-N 1 0 336.426 3.363 20 10 EGCDRO Oc1c(C[NH+]2CC(c3cccnc3)C2)cc2c3c1CCCN3CCC2 ZINC001138340550 1377705280 /nfs/dbraw/zinc/70/52/80/1377705280.db2.gz VFIWBKBXIIGXLS-UHFFFAOYSA-N 1 0 335.451 3.085 20 10 EGCDRO C[C@]1(F)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1F ZINC001138338120 1377705306 /nfs/dbraw/zinc/70/53/06/1377705306.db2.gz KHRINGPVKGXEDX-LPHOPBHVSA-N 1 0 336.426 3.363 20 10 EGCDRO CCC[N@H+](Cc1ccc2c(c1)CCCN2C)C1CCN(C(C)=O)CC1 ZINC001138355745 1377708389 /nfs/dbraw/zinc/70/83/89/1377708389.db2.gz BIVFAUJWVARVTI-UHFFFAOYSA-N 1 0 343.515 3.292 20 10 EGCDRO CN(CC[N@H+](C)Cc1ccc2c(c1)CCCN2C)C(=O)OC(C)(C)C ZINC001138354386 1377708421 /nfs/dbraw/zinc/70/84/21/1377708421.db2.gz HPTLROYTDFJFNW-UHFFFAOYSA-N 1 0 347.503 3.368 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(OC)c1 ZINC001138389651 1377714222 /nfs/dbraw/zinc/71/42/22/1377714222.db2.gz RVBLMMQMVHQMFX-LJQANCHMSA-N 1 0 331.504 3.212 20 10 EGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(OC)c1 ZINC001138392546 1377715711 /nfs/dbraw/zinc/71/57/11/1377715711.db2.gz ZRFDFKLSGSDXFX-SFHVURJKSA-N 1 0 348.487 3.269 20 10 EGCDRO COc1cc(CN2CCc3sccc3C2)cc(C[NH+](C)C)c1O ZINC001139256131 1377857877 /nfs/dbraw/zinc/85/78/77/1377857877.db2.gz UUWPKCPKWMEGDK-UHFFFAOYSA-N 1 0 332.469 3.082 20 10 EGCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)s1)Cc1ccccc1O ZINC001139296988 1377864023 /nfs/dbraw/zinc/86/40/23/1377864023.db2.gz SFDUOBUFIGCNMM-UHFFFAOYSA-N 1 0 346.496 3.437 20 10 EGCDRO Cc1cc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)ccc1N(C)C ZINC001139670981 1377930888 /nfs/dbraw/zinc/93/08/88/1377930888.db2.gz JTBHHKGIVWCTNM-UHFFFAOYSA-N 1 0 343.515 3.332 20 10 EGCDRO CC[C@@H]1[N@H+](Cc2ccc(N(C)C)c(C)c2)CCC[C@]12CCC(=O)N2 ZINC001139672185 1377930994 /nfs/dbraw/zinc/93/09/94/1377930994.db2.gz UFSDWSBDUQHHIY-ICSRJNTNSA-N 1 0 329.488 3.084 20 10 EGCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)Cc2ccccc21 ZINC001139674365 1377931511 /nfs/dbraw/zinc/93/15/11/1377931511.db2.gz WLOINDIRASDMSX-IBGZPJMESA-N 1 0 338.451 3.333 20 10 EGCDRO [O-]c1c(F)ccc(F)c1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC001139683399 1377933655 /nfs/dbraw/zinc/93/36/55/1377933655.db2.gz ISTPTLGUHHFVCH-UHFFFAOYSA-N 1 0 332.394 3.378 20 10 EGCDRO O=C(C1CCCCC1)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC001140058504 1377998314 /nfs/dbraw/zinc/99/83/14/1377998314.db2.gz DHQMZMFPCOYGFW-UHFFFAOYSA-N 1 0 334.435 3.146 20 10 EGCDRO CCOC(=O)c1coc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC001140060449 1377998527 /nfs/dbraw/zinc/99/85/27/1377998527.db2.gz WISSXGRYZMMMJC-UHFFFAOYSA-N 1 0 348.374 3.076 20 10 EGCDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140062884 1377999017 /nfs/dbraw/zinc/99/90/17/1377999017.db2.gz HMUBCJWQBHNVIK-HNNXBMFYSA-N 1 0 338.423 3.363 20 10 EGCDRO OCC[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001140100259 1378007432 /nfs/dbraw/zinc/00/74/32/1378007432.db2.gz IFXZPJOYEKDAHO-GFCCVEGCSA-N 1 0 340.261 3.139 20 10 EGCDRO CCCC[NH+]1CCN(Cc2c(O)cccc2Br)CC1 ZINC001140101581 1378007449 /nfs/dbraw/zinc/00/74/49/1378007449.db2.gz UNGKHTUDRWVBRU-UHFFFAOYSA-N 1 0 327.266 3.072 20 10 EGCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c1O ZINC001140180013 1378026678 /nfs/dbraw/zinc/02/66/78/1378026678.db2.gz BCGWCOUFCILRNA-DLBZAZTESA-N 1 0 342.464 3.450 20 10 EGCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)Cc2ccccc21 ZINC001140183294 1378028101 /nfs/dbraw/zinc/02/81/01/1378028101.db2.gz AYOGDTQITLZGSY-GOSISDBHSA-N 1 0 325.408 3.281 20 10 EGCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)c1 ZINC001140342523 1378050320 /nfs/dbraw/zinc/05/03/20/1378050320.db2.gz NLAKTKDKDVKUHS-CYBMUJFWSA-N 1 0 334.803 3.103 20 10 EGCDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1O ZINC001140462910 1378066733 /nfs/dbraw/zinc/06/67/33/1378066733.db2.gz NYALTUWRFHQEEU-UHFFFAOYSA-N 1 0 328.840 3.392 20 10 EGCDRO C[N@H+](C1CCOCC1)C1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140465653 1378067864 /nfs/dbraw/zinc/06/78/64/1378067864.db2.gz PVBKAXBPSAURFR-UHFFFAOYSA-N 1 0 338.879 3.121 20 10 EGCDRO Cc1cnc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3O)C2)nc1 ZINC001140468265 1378069139 /nfs/dbraw/zinc/06/91/39/1378069139.db2.gz CUYRYLHWDWDPGQ-OAHLLOKOSA-N 1 0 333.819 3.187 20 10 EGCDRO CC[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272618309 1378076660 /nfs/dbraw/zinc/07/66/60/1378076660.db2.gz FMADWRYQNBUREV-OXJNMPFZSA-N 1 0 330.472 3.395 20 10 EGCDRO CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001273285255 1378094323 /nfs/dbraw/zinc/09/43/23/1378094323.db2.gz OGIRGXQUPCGEPT-IBGZPJMESA-N 1 0 334.435 3.288 20 10 EGCDRO CO[C@@H](CN1CC[NH+](Cc2cc(C)ccc2O)CC1)c1ccccc1 ZINC001140623783 1378100461 /nfs/dbraw/zinc/10/04/61/1378100461.db2.gz RLVGXPYOEGWVJN-NRFANRHFSA-N 1 0 340.467 3.206 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001140623401 1378100483 /nfs/dbraw/zinc/10/04/83/1378100483.db2.gz QHYQTABZEFHFMT-ZBFHGGJFSA-N 1 0 334.460 3.436 20 10 EGCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001140661532 1378108984 /nfs/dbraw/zinc/10/89/84/1378108984.db2.gz IGLHBBXWFINXMQ-QGZVFWFLSA-N 1 0 341.430 3.047 20 10 EGCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1O ZINC001140745351 1378128375 /nfs/dbraw/zinc/12/83/75/1378128375.db2.gz GQQAETHMJKLOJO-PKOBYXMFSA-N 1 0 338.451 3.113 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1O ZINC001140744341 1378128527 /nfs/dbraw/zinc/12/85/27/1378128527.db2.gz ULJCJYPTULAFMG-UHFFFAOYSA-N 1 0 332.831 3.382 20 10 EGCDRO Cc1c(O)ccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c1O ZINC001140742395 1378128561 /nfs/dbraw/zinc/12/85/61/1378128561.db2.gz MOZTZCLBZFZGFE-UHFFFAOYSA-N 1 0 334.366 3.007 20 10 EGCDRO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(O)c(C)c1O ZINC001140748144 1378129139 /nfs/dbraw/zinc/12/91/39/1378129139.db2.gz SFFXLUMEBMIULB-AWEZNQCLSA-N 1 0 343.423 3.360 20 10 EGCDRO COc1ccccc1[C@H](O)C[N@H+](Cc1ccc(O)c(C)c1O)C(C)C ZINC001140749435 1378129175 /nfs/dbraw/zinc/12/91/75/1378129175.db2.gz ZMLONSZINWVNSJ-GOSISDBHSA-N 1 0 345.439 3.359 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c(Cl)c1 ZINC001140925534 1378182291 /nfs/dbraw/zinc/18/22/91/1378182291.db2.gz CNDZJIGIWPZZDF-INIZCTEOSA-N 1 0 331.847 3.454 20 10 EGCDRO Cc1ccc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c(O)c1 ZINC001140951094 1378189866 /nfs/dbraw/zinc/18/98/66/1378189866.db2.gz YSVQGYVEVNUWIQ-UHFFFAOYSA-N 1 0 339.395 3.149 20 10 EGCDRO CN1CCC12C[NH+](Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001276871900 1378190399 /nfs/dbraw/zinc/19/03/99/1378190399.db2.gz HDCQCKBRWQDQGR-UHFFFAOYSA-N 1 0 347.256 3.198 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(O)c1 ZINC001140954333 1378191548 /nfs/dbraw/zinc/19/15/48/1378191548.db2.gz QFKSZQJFXYGFIF-GOSISDBHSA-N 1 0 342.414 3.234 20 10 EGCDRO OCC[N@H+](Cc1ccccc1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074870 1378232530 /nfs/dbraw/zinc/23/25/30/1378232530.db2.gz VREBXPZNSXWUBA-UHFFFAOYSA-N 1 0 336.479 3.380 20 10 EGCDRO COc1cc(C)ccc1OC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161530 1378254984 /nfs/dbraw/zinc/25/49/84/1378254984.db2.gz UEMZRKITPDSYLF-UHFFFAOYSA-N 1 0 343.423 3.458 20 10 EGCDRO CC(C)(C)c1cccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c1O ZINC001143108700 1378542006 /nfs/dbraw/zinc/54/20/06/1378542006.db2.gz VHBHISPFKQEYME-UHFFFAOYSA-N 1 0 330.472 3.324 20 10 EGCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCS1 ZINC001143116431 1378543557 /nfs/dbraw/zinc/54/35/57/1378543557.db2.gz AXRIFAUYTXDTDH-OAHLLOKOSA-N 1 0 337.485 3.170 20 10 EGCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCS1 ZINC001143116430 1378543685 /nfs/dbraw/zinc/54/36/85/1378543685.db2.gz AXRIFAUYTXDTDH-HNNXBMFYSA-N 1 0 337.485 3.170 20 10 EGCDRO Cc1ccccc1OC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500087 1378738400 /nfs/dbraw/zinc/73/84/00/1378738400.db2.gz OQSRAESTMSARKX-UHFFFAOYSA-N 1 0 329.396 3.155 20 10 EGCDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1c(O)cc(O)cc1O ZINC001144509028 1378738766 /nfs/dbraw/zinc/73/87/66/1378738766.db2.gz IEXNVKLHLJDSAN-UHFFFAOYSA-N 1 0 327.302 3.454 20 10 EGCDRO CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146662082 1378892389 /nfs/dbraw/zinc/89/23/89/1378892389.db2.gz FFPSOFLPBLFWBW-UONOGXRCSA-N 1 0 345.447 3.302 20 10 EGCDRO CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146662469 1378892520 /nfs/dbraw/zinc/89/25/20/1378892520.db2.gz GVYUUMXYFAUVPX-OLZOCXBDSA-N 1 0 333.436 3.136 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1C ZINC001148455638 1379174719 /nfs/dbraw/zinc/17/47/19/1379174719.db2.gz FEZXPKFLMHRQHJ-RBUKOAKNSA-N 1 0 338.451 3.013 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C(F)F)o2)cc1C ZINC001149389984 1379374340 /nfs/dbraw/zinc/37/43/40/1379374340.db2.gz KVKLAJAJKCCWMG-UHFFFAOYSA-N 1 0 338.354 3.054 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)c2ccccc2C)cc1C ZINC001152018377 1379841248 /nfs/dbraw/zinc/84/12/48/1379841248.db2.gz UXINSRSDGBGAJP-QGZVFWFLSA-N 1 0 340.467 3.322 20 10 EGCDRO Oc1cc2c(cc1O)CN(c1ccc(C[NH+]3CCCC3)cn1)CCC2 ZINC001155944948 1380507306 /nfs/dbraw/zinc/50/73/06/1380507306.db2.gz MCFBEGHLIBNUBE-UHFFFAOYSA-N 1 0 339.439 3.041 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CC1CC[NH2+]CC1 ZINC001157435670 1380892737 /nfs/dbraw/zinc/89/27/37/1380892737.db2.gz UWWRFYSTQXCSLQ-LJQANCHMSA-N 1 0 330.472 3.138 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC(F)(F)C2)cc1C ZINC001159486742 1381806187 /nfs/dbraw/zinc/80/61/87/1381806187.db2.gz XXKTVORVUBWLRO-HNNXBMFYSA-N 1 0 340.414 3.035 20 10 EGCDRO Nc1ccc(OCCOc2ccc(NC3=CCC[NH2+]C3)cc2)cc1 ZINC001159785165 1381898789 /nfs/dbraw/zinc/89/87/89/1381898789.db2.gz YQLSSCIQSNLGDK-UHFFFAOYSA-N 1 0 325.412 3.016 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)c2cccs2)cc1C ZINC001166507984 1383431161 /nfs/dbraw/zinc/43/11/61/1383431161.db2.gz IJJZNARVCQNRQA-OAHLLOKOSA-N 1 0 346.496 3.465 20 10 EGCDRO COc1cnc(Cl)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426540 1383630736 /nfs/dbraw/zinc/63/07/36/1383630736.db2.gz ISKNJWGILYWYIN-UHFFFAOYSA-N 1 0 346.862 3.108 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)c2c[nH]cc2C2CC2)cc1C ZINC001169707731 1384175935 /nfs/dbraw/zinc/17/59/35/1384175935.db2.gz HYCLSEAOACDBPO-UHFFFAOYSA-N 1 0 341.455 3.119 20 10 EGCDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001169729050 1384179277 /nfs/dbraw/zinc/17/92/77/1384179277.db2.gz PYZOAPCDVRVNLY-LJQANCHMSA-N 1 0 336.435 3.016 20 10 EGCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)c2cc[nH]c2)cc1C ZINC001170944424 1384415900 /nfs/dbraw/zinc/41/59/00/1384415900.db2.gz KRFFPACNQFXLIA-MRXNPFEDSA-N 1 0 343.471 3.410 20 10 EGCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)cc1O ZINC001171096365 1384445222 /nfs/dbraw/zinc/44/52/22/1384445222.db2.gz APLXTUHKBGXHRR-HNNXBMFYSA-N 1 0 333.815 3.146 20 10 EGCDRO CCOc1ccc(N2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172127015 1384736847 /nfs/dbraw/zinc/73/68/47/1384736847.db2.gz FZZDFLIQKBCVLL-PMOLBWCYSA-N 1 0 343.515 3.223 20 10 EGCDRO COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001172615708 1384819904 /nfs/dbraw/zinc/81/99/04/1384819904.db2.gz HJEOMRBXXFPOQM-IEBWSBKVSA-N 1 0 330.472 3.450 20 10 EGCDRO COc1ccc(N2CC[NH+]([C@H]3CCc4ncsc4C3)CC2)c(C)c1 ZINC001173145299 1384923700 /nfs/dbraw/zinc/92/37/00/1384923700.db2.gz KHWSFNFSUIPKTL-HNNXBMFYSA-N 1 0 343.496 3.140 20 10 EGCDRO COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CO2 ZINC001173166272 1384928404 /nfs/dbraw/zinc/92/84/04/1384928404.db2.gz YBBUQSNWEDLJDZ-HOCLYGCPSA-N 1 0 326.440 3.416 20 10 EGCDRO CC(C)[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001176797164 1385703844 /nfs/dbraw/zinc/70/38/44/1385703844.db2.gz UWLLKOAHRWYMHO-CYBMUJFWSA-N 1 0 333.436 3.136 20 10 EGCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CCCC2CCC2)cc1 ZINC001177238072 1385879974 /nfs/dbraw/zinc/87/99/74/1385879974.db2.gz PVPMLELMLBGEJE-UHFFFAOYSA-N 1 0 345.447 3.139 20 10 EGCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC001319267485 1386032303 /nfs/dbraw/zinc/03/23/03/1386032303.db2.gz XNWHMYIFYNIRGJ-IEBWSBKVSA-N 1 0 332.513 3.431 20 10 EGCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4ccco4)C3)cc2F)CC1 ZINC001319706735 1386261218 /nfs/dbraw/zinc/26/12/18/1386261218.db2.gz ASFLOCZYZGSBRX-QGZVFWFLSA-N 1 0 343.446 3.160 20 10 EGCDRO CNC(=O)c1cccc(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC001320410674 1386602881 /nfs/dbraw/zinc/60/28/81/1386602881.db2.gz DZWBFAHBJSFYKZ-WMLDXEAASA-N 1 0 338.451 3.441 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC001320425031 1386606736 /nfs/dbraw/zinc/60/67/36/1386606736.db2.gz RXPAUOVSWCLVGY-VYCZESIESA-N 1 0 341.451 3.323 20 10 EGCDRO Cc1cc(C)c(CNC(=O)CC[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC001181141541 1386945144 /nfs/dbraw/zinc/94/51/44/1386945144.db2.gz RJDWHHYVBMOHAQ-UHFFFAOYSA-N 1 0 326.440 3.147 20 10 EGCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC001321905097 1387007389 /nfs/dbraw/zinc/00/73/89/1387007389.db2.gz QPSYTQIYFCRIFW-KBPBESRZSA-N 1 0 337.485 3.196 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001329174526 1389004217 /nfs/dbraw/zinc/00/42/17/1389004217.db2.gz FYVNLISBQGULBK-IEUIXRIBSA-N 1 0 340.423 3.469 20 10 EGCDRO CC[N@H+](CCCNC(=O)NCc1ccc(N)cc1)C1CCCCC1 ZINC001336143059 1389022879 /nfs/dbraw/zinc/02/28/79/1389022879.db2.gz RMSQWHJWMXZEKM-UHFFFAOYSA-N 1 0 332.492 3.113 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1O ZINC001329919383 1389257029 /nfs/dbraw/zinc/25/70/29/1389257029.db2.gz IGODEYLPNZKKOB-FQEVSTJZSA-N 1 0 343.398 3.218 20 10 EGCDRO CC1(C)C[C@H](C[NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC001330807124 1389532962 /nfs/dbraw/zinc/53/29/62/1389532962.db2.gz AFTTYEPTKYPZOG-LLVKDONJSA-N 1 0 328.250 3.450 20 10 EGCDRO CCN(Cc1ccccc1)c1ccc(CNCc2nnc(C)n2C)cc1 ZINC001338754981 1389753053 /nfs/dbraw/zinc/75/30/53/1389753053.db2.gz DGGPPAIUQFABOB-UHFFFAOYSA-N 1 0 349.482 3.440 20 10 EGCDRO COc1ccccc1OCCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC001331991279 1389936827 /nfs/dbraw/zinc/93/68/27/1389936827.db2.gz VIHXWTPIGHJTLI-UHFFFAOYSA-N 1 0 331.412 3.277 20 10 EGCDRO CC(C)OC(=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001332672978 1390147421 /nfs/dbraw/zinc/14/74/21/1390147421.db2.gz DDCYVGQCMKKGMG-UHFFFAOYSA-N 1 0 330.472 3.450 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c(O)c1 ZINC001342029884 1390563143 /nfs/dbraw/zinc/56/31/43/1390563143.db2.gz SHHJDEDRJFMCFT-UHFFFAOYSA-N 1 0 335.835 3.478 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](F)C(C)C)CCC2)cc1C ZINC001754985226 1440722567 /nfs/dbraw/zinc/72/25/67/1440722567.db2.gz LQVYBCJRIGUMNX-QGZVFWFLSA-N 1 0 336.451 3.126 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cccc(F)c2)cc1C ZINC001755224072 1440785415 /nfs/dbraw/zinc/78/54/15/1440785415.db2.gz PRSHPOXKQINALO-HUUCEWRRSA-N 1 0 344.430 3.439 20 10 EGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000164517235 226079461 /nfs/dbraw/zinc/07/94/61/226079461.db2.gz KAPVPBQICOONPH-HOCLYGCPSA-N 1 0 333.476 3.413 20 10 EGCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC000289671582 456137115 /nfs/dbraw/zinc/13/71/15/456137115.db2.gz NQFIDMBJNDBHSC-UHFFFAOYSA-N 1 0 325.836 3.445 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2nncn2C)c1O ZINC000275270530 456272231 /nfs/dbraw/zinc/27/22/31/456272231.db2.gz BXGVFWFGQRMBCF-NXEZZACHSA-N 1 0 339.237 3.003 20 10 EGCDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183158110 455241497 /nfs/dbraw/zinc/24/14/97/455241497.db2.gz UFPHVWBKWQRQBK-IBGZPJMESA-N 1 0 347.480 3.175 20 10 EGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000181563444 455355962 /nfs/dbraw/zinc/35/59/62/455355962.db2.gz OUPIQIIECCYEQF-VQTJNVASSA-N 1 0 346.515 3.189 20 10 EGCDRO COc1ccc(C[NH2+]CCc2nc3cc(F)ccc3n2C)cc1C ZINC000076894419 454046382 /nfs/dbraw/zinc/04/63/82/454046382.db2.gz OGJWQHMUUHAMBF-UHFFFAOYSA-N 1 0 327.403 3.362 20 10 EGCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1C ZINC000057106917 454102969 /nfs/dbraw/zinc/10/29/69/454102969.db2.gz KNGHQBADPIULET-UHFFFAOYSA-N 1 0 344.480 3.465 20 10 EGCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000069797033 454145864 /nfs/dbraw/zinc/14/58/64/454145864.db2.gz MFXBAXDBQKBIKO-KRWDZBQOSA-N 1 0 340.467 3.090 20 10 EGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000089628989 454170138 /nfs/dbraw/zinc/17/01/38/454170138.db2.gz PVUBWTCMAYHUCE-MRXNPFEDSA-N 1 0 326.506 3.007 20 10 EGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000089636312 454170698 /nfs/dbraw/zinc/17/06/98/454170698.db2.gz PBINBYSMVIWKIE-CVEARBPZSA-N 1 0 338.517 3.151 20 10 EGCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000119900308 454233544 /nfs/dbraw/zinc/23/35/44/454233544.db2.gz IKDPRZZXMCALIS-MRXNPFEDSA-N 1 0 346.496 3.013 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000090055258 454268158 /nfs/dbraw/zinc/26/81/58/454268158.db2.gz YNZRSBGLEJIAHB-UZLBHIALSA-N 1 0 332.488 3.115 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2cccs2)c1O ZINC000184708869 455433334 /nfs/dbraw/zinc/43/33/34/455433334.db2.gz KVOLEWNGSCPIMH-OAHLLOKOSA-N 1 0 327.833 3.113 20 10 EGCDRO COCCC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000090537243 454318918 /nfs/dbraw/zinc/31/89/18/454318918.db2.gz DTWBNBMBJOADDI-HNNXBMFYSA-N 1 0 336.451 3.130 20 10 EGCDRO CC(=O)c1cc(F)cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000079464878 454420434 /nfs/dbraw/zinc/42/04/34/454420434.db2.gz JBFHRAGGAUNCMQ-OAHLLOKOSA-N 1 0 334.435 3.042 20 10 EGCDRO COc1ccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000102432830 454505177 /nfs/dbraw/zinc/50/51/77/454505177.db2.gz RZULHRQEVSWSKI-UHFFFAOYSA-N 1 0 326.440 3.462 20 10 EGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000123659810 454662400 /nfs/dbraw/zinc/66/24/00/454662400.db2.gz DKTSDPMMEZGQQN-BEFAXECRSA-N 1 0 344.430 3.047 20 10 EGCDRO CCOc1cccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1O ZINC000093387740 454710147 /nfs/dbraw/zinc/71/01/47/454710147.db2.gz OZKVFQJFJSYQSF-SFHVURJKSA-N 1 0 327.424 3.273 20 10 EGCDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)o1 ZINC000137068219 454768190 /nfs/dbraw/zinc/76/81/90/454768190.db2.gz YCQVVWOJVGFBAS-AWEZNQCLSA-N 1 0 331.368 3.197 20 10 EGCDRO CC(C)(C)c1noc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000109761495 454835782 /nfs/dbraw/zinc/83/57/82/454835782.db2.gz RWLIBAZRXGDNAD-OAHLLOKOSA-N 1 0 345.443 3.254 20 10 EGCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000126340592 454886457 /nfs/dbraw/zinc/88/64/57/454886457.db2.gz YEFWIQGQVGBMNR-AEFFLSMTSA-N 1 0 329.488 3.338 20 10 EGCDRO Oc1ccccc1C[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000114772933 454977098 /nfs/dbraw/zinc/97/70/98/454977098.db2.gz GELVEGASWAZVIB-UHFFFAOYSA-N 1 0 329.787 3.428 20 10 EGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1 ZINC000179531904 455055981 /nfs/dbraw/zinc/05/59/81/455055981.db2.gz TYBIQDNVEGOLRO-UHFFFAOYSA-N 1 0 340.423 3.308 20 10 EGCDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000156141493 455086414 /nfs/dbraw/zinc/08/64/14/455086414.db2.gz SQEQLGKRPRQBCB-WBVHZDCISA-N 1 0 325.456 3.294 20 10 EGCDRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179889957 455094444 /nfs/dbraw/zinc/09/44/44/455094444.db2.gz KZJDWDVOBBBTQH-UHFFFAOYSA-N 1 0 328.387 3.382 20 10 EGCDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180462962 455174143 /nfs/dbraw/zinc/17/41/43/455174143.db2.gz WGLOGOVOTMNUNQ-UHFFFAOYSA-N 1 0 330.403 3.351 20 10 EGCDRO CCN(C[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1)CC(F)(F)F ZINC000180551348 455194833 /nfs/dbraw/zinc/19/48/33/455194833.db2.gz YRCACXWATZNJES-CQSZACIVSA-N 1 0 330.394 3.407 20 10 EGCDRO Cc1cc(C(=O)N2CCC(C[NH3+])CC2)c(C)n1-c1ccccc1C ZINC000237729068 455213053 /nfs/dbraw/zinc/21/30/53/455213053.db2.gz FCGNHHTWIWGYSV-UHFFFAOYSA-N 1 0 325.456 3.213 20 10 EGCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1F ZINC000264970545 455298175 /nfs/dbraw/zinc/29/81/75/455298175.db2.gz QROJPGZJIVZKQW-UHFFFAOYSA-N 1 0 338.430 3.426 20 10 EGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245798107 455380585 /nfs/dbraw/zinc/38/05/85/455380585.db2.gz XJZGNDBWEZLPJL-XHDPSFHLSA-N 1 0 326.234 3.156 20 10 EGCDRO COc1cc(Cl)cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000184699006 455429945 /nfs/dbraw/zinc/42/99/45/455429945.db2.gz LZNGIQYXZRTLHW-AWEZNQCLSA-N 1 0 338.879 3.362 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c(O)c1 ZINC000184904192 455469915 /nfs/dbraw/zinc/46/99/15/455469915.db2.gz NSUFZFKGJHBLLC-XLIONFOSSA-N 1 0 340.467 3.425 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1 ZINC000185033168 455488343 /nfs/dbraw/zinc/48/83/43/455488343.db2.gz GNFXXLQHGZDWBT-HZPDHXFCSA-N 1 0 341.455 3.172 20 10 EGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185154528 455512036 /nfs/dbraw/zinc/51/20/36/455512036.db2.gz UZVUAVJIQZAJKA-QWRGUYRKSA-N 1 0 343.265 3.110 20 10 EGCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC000191780709 455518862 /nfs/dbraw/zinc/51/88/62/455518862.db2.gz DXIGOPQUNWVNSV-MGPUTAFESA-N 1 0 329.440 3.120 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c(O)c1 ZINC000185321797 455538756 /nfs/dbraw/zinc/53/87/56/455538756.db2.gz YGFXHECYUSHISY-OAHLLOKOSA-N 1 0 328.460 3.302 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284161803 455644523 /nfs/dbraw/zinc/64/45/23/455644523.db2.gz WUFJVPYHPXQORT-UHFFFAOYSA-N 1 0 336.439 3.451 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000284430468 455683569 /nfs/dbraw/zinc/68/35/69/455683569.db2.gz RWYPSAQFUDIXOE-SCLBCKFNSA-N 1 0 332.419 3.493 20 10 EGCDRO COc1cc(NCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc(OC)c1 ZINC000186155022 455705398 /nfs/dbraw/zinc/70/53/98/455705398.db2.gz PKABFTBFUDVMCZ-LBPRGKRZSA-N 1 0 334.391 3.311 20 10 EGCDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813806 455714616 /nfs/dbraw/zinc/71/46/16/455714616.db2.gz FPEXOQACVVNVQB-RXVVDRJESA-N 1 0 345.531 3.174 20 10 EGCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1OC ZINC000292745561 455746654 /nfs/dbraw/zinc/74/66/54/455746654.db2.gz HXDFFHBJYWUGDR-VOJFVSQTSA-N 1 0 349.452 3.263 20 10 EGCDRO COCC1(CC[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000292886775 455765149 /nfs/dbraw/zinc/76/51/49/455765149.db2.gz FLWMVEKEARSHQF-UHFFFAOYSA-N 1 0 328.250 3.451 20 10 EGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000293360720 455783224 /nfs/dbraw/zinc/78/32/24/455783224.db2.gz JZJPTKCFOOMAAM-IEBWSBKVSA-N 1 0 329.488 3.010 20 10 EGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000293722762 455796416 /nfs/dbraw/zinc/79/64/16/455796416.db2.gz NUJCSXXJFGYKBH-OIISXLGYSA-N 1 0 336.451 3.007 20 10 EGCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293771171 455797530 /nfs/dbraw/zinc/79/75/30/455797530.db2.gz PQMQUXRSVCLJPQ-OAHLLOKOSA-N 1 0 330.428 3.280 20 10 EGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CC2(C1)CCOC2 ZINC000293880460 455800040 /nfs/dbraw/zinc/80/00/40/455800040.db2.gz DDGIGNKNEYIXGM-UHFFFAOYSA-N 1 0 325.408 3.194 20 10 EGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c(O)c1 ZINC000294616295 455821165 /nfs/dbraw/zinc/82/11/65/455821165.db2.gz DZNMEGCSEPBNCM-CYBMUJFWSA-N 1 0 348.393 3.368 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C[C@H](C)O)cc2)CC1 ZINC000294946701 455833433 /nfs/dbraw/zinc/83/34/33/455833433.db2.gz LRYJVKIILOJJMK-LPHOPBHVSA-N 1 0 332.488 3.037 20 10 EGCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3c(C)cc(C)cc3O)CC2)n[nH]1 ZINC000285386563 455834569 /nfs/dbraw/zinc/83/45/69/455834569.db2.gz WPLCOIJTAOTFOW-OAHLLOKOSA-N 1 0 328.460 3.360 20 10 EGCDRO COC1CCN(c2ccc(C[NH+]3CCC(C)(OC)CC3)cc2)CC1 ZINC000295085264 455837671 /nfs/dbraw/zinc/83/76/71/455837671.db2.gz YINSKANVPSWQPU-UHFFFAOYSA-N 1 0 332.488 3.303 20 10 EGCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000278830502 455849794 /nfs/dbraw/zinc/84/97/94/455849794.db2.gz OUZZQAUMFCSBNP-YZVOILCLSA-N 1 0 336.451 3.007 20 10 EGCDRO C[C@@H](c1cc(Cl)ccc1O)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295839892 455860541 /nfs/dbraw/zinc/86/05/41/455860541.db2.gz AKPIBBPMSULRIA-MELADBBJSA-N 1 0 344.842 3.388 20 10 EGCDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279956698 455878959 /nfs/dbraw/zinc/87/89/59/455878959.db2.gz OWVLCIXDLQYTHJ-LBPRGKRZSA-N 1 0 326.366 3.146 20 10 EGCDRO CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(C)cc1O ZINC000279988602 455880611 /nfs/dbraw/zinc/88/06/11/455880611.db2.gz FDJSWDUJUCOZAC-GOSISDBHSA-N 1 0 326.440 3.100 20 10 EGCDRO COc1c(O)cccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000272332593 455916765 /nfs/dbraw/zinc/91/67/65/455916765.db2.gz WVAHEFBYGNGEQO-KRWDZBQOSA-N 1 0 343.423 3.288 20 10 EGCDRO COCC1=CC[N@H+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000187616723 455930719 /nfs/dbraw/zinc/93/07/19/455930719.db2.gz CILJUIBGDGMMJN-UHFFFAOYSA-N 1 0 326.234 3.242 20 10 EGCDRO OC[C@H]([NH2+]Cc1ccccc1O)c1ccccc1OC(F)(F)F ZINC000280411798 455966801 /nfs/dbraw/zinc/96/68/01/455966801.db2.gz YOOKJLBXYRHQLT-ZDUSSCGKSA-N 1 0 327.302 3.114 20 10 EGCDRO CN(C)c1ccc(C[NH2+]CCCO[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000280457166 455975814 /nfs/dbraw/zinc/97/58/14/455975814.db2.gz ZMUIVKLQBAJUTJ-HNNXBMFYSA-N 1 0 346.393 3.057 20 10 EGCDRO Cc1ccc([C@H]([NH2+]Cc2cccc(C)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280844622 456064343 /nfs/dbraw/zinc/06/43/43/456064343.db2.gz YSHDWIZXGGXFBY-MAUKXSAKSA-N 1 0 347.480 3.273 20 10 EGCDRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(Br)cc1O ZINC000287387534 456068484 /nfs/dbraw/zinc/06/84/84/456068484.db2.gz INYVFXJVRDIYFN-GRYCIOLGSA-N 1 0 328.250 3.478 20 10 EGCDRO C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccccc1O ZINC000287518121 456070932 /nfs/dbraw/zinc/07/09/32/456070932.db2.gz ZOBIVNZYCABVDL-LSDHHAIUSA-N 1 0 328.412 3.053 20 10 EGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000287730823 456076537 /nfs/dbraw/zinc/07/65/37/456076537.db2.gz YKKDONJPZSUFDN-HOTGVXAUSA-N 1 0 331.460 3.031 20 10 EGCDRO CC(=O)Nc1cccc(OCC[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296989391 456085158 /nfs/dbraw/zinc/08/51/58/456085158.db2.gz SFUHWUYBCDDOEN-KRWDZBQOSA-N 1 0 326.396 3.007 20 10 EGCDRO CC[NH+]1CCN(c2ccc(CNc3nc(C(C)C)no3)cc2F)CC1 ZINC000301348266 456096688 /nfs/dbraw/zinc/09/66/88/456096688.db2.gz UPLQHRUWJBTASY-UHFFFAOYSA-N 1 0 347.438 3.086 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000227684343 456117030 /nfs/dbraw/zinc/11/70/30/456117030.db2.gz CBQYCIHCVRTJAY-SNVBAGLBSA-N 1 0 344.839 3.057 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000227684339 456117188 /nfs/dbraw/zinc/11/71/88/456117188.db2.gz CBQYCIHCVRTJAY-JTQLQIEISA-N 1 0 344.839 3.057 20 10 EGCDRO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCC[C@H]1O ZINC000289262570 456118740 /nfs/dbraw/zinc/11/87/40/456118740.db2.gz FRVBIPUOGNRSLL-RTBURBONSA-N 1 0 327.424 3.316 20 10 EGCDRO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)c(C)n1-c1ccc(Cl)cc1 ZINC000272990045 456136366 /nfs/dbraw/zinc/13/63/66/456136366.db2.gz FLMQTHFGDDONRG-AWEZNQCLSA-N 1 0 331.847 3.087 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c(O)c1C ZINC000273305079 456222150 /nfs/dbraw/zinc/22/21/50/456222150.db2.gz CPLAQCNZSVNOIS-INIZCTEOSA-N 1 0 336.439 3.500 20 10 EGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c(O)c1C ZINC000273432961 456230691 /nfs/dbraw/zinc/23/06/91/456230691.db2.gz WIRALZKWKVPAAV-GDBMZVCRSA-N 1 0 333.403 3.239 20 10 EGCDRO Cc1cc(/C=C/C(=O)N(C)C2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC000237096466 456232237 /nfs/dbraw/zinc/23/22/37/456232237.db2.gz IYTPVCYFHRYHRC-MDZDMXLPSA-N 1 0 337.467 3.318 20 10 EGCDRO O=C(/C=C/c1cncs1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000281582345 456270409 /nfs/dbraw/zinc/27/04/09/456270409.db2.gz GALBAEJHFMLXRR-MVGZEHJDSA-N 1 0 325.437 3.168 20 10 EGCDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290336971 456297957 /nfs/dbraw/zinc/29/79/57/456297957.db2.gz FDGJGYSESHJFLO-CQSZACIVSA-N 1 0 331.372 3.287 20 10 EGCDRO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)[C@H](C)C1 ZINC000282178846 456434471 /nfs/dbraw/zinc/43/44/71/456434471.db2.gz FMZHHDJCJBLIAX-RISCZKNCSA-N 1 0 328.250 3.462 20 10 EGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000290999155 456491113 /nfs/dbraw/zinc/49/11/13/456491113.db2.gz VUEKHZNPSUDCEE-OAHLLOKOSA-N 1 0 335.835 3.478 20 10 EGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CS1 ZINC000276826708 456592546 /nfs/dbraw/zinc/59/25/46/456592546.db2.gz BAXQBEDVZMHTQY-CRAIPNDOSA-N 1 0 338.492 3.282 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000291626371 456699314 /nfs/dbraw/zinc/69/93/14/456699314.db2.gz RYUYNCIDZZWKML-QFBILLFUSA-N 1 0 347.842 3.310 20 10 EGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c(O)c1C ZINC000277221245 456730358 /nfs/dbraw/zinc/73/03/58/456730358.db2.gz XQZXGGIPMIEOQI-HNNXBMFYSA-N 1 0 326.444 3.119 20 10 EGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000349643974 457004242 /nfs/dbraw/zinc/00/42/42/457004242.db2.gz GXXZYUMSDMTHPA-PBHICJAKSA-N 1 0 342.487 3.015 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CN(C)Cc3ccccc32)c1O ZINC000359955446 457171133 /nfs/dbraw/zinc/17/11/33/457171133.db2.gz IKEBQPBFGVUZPX-INIZCTEOSA-N 1 0 332.831 3.331 20 10 EGCDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Cl)ccc1O ZINC000363855637 457456676 /nfs/dbraw/zinc/45/66/76/457456676.db2.gz NKQSSIRWWCFRCJ-LBPRGKRZSA-N 1 0 328.803 3.477 20 10 EGCDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c(C)n1-c1ccc(F)cc1 ZINC000364160046 457505631 /nfs/dbraw/zinc/50/56/31/457505631.db2.gz IMUYZPIPECHOTM-MRXNPFEDSA-N 1 0 329.419 3.105 20 10 EGCDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)c(O)c1 ZINC000370032880 457510705 /nfs/dbraw/zinc/51/07/05/457510705.db2.gz NHEULDJLAKGVIL-UHFFFAOYSA-N 1 0 327.359 3.220 20 10 EGCDRO COc1c(O)c(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755943 457686886 /nfs/dbraw/zinc/68/68/86/457686886.db2.gz CUAQKAKWORQERM-WBMJQRKESA-N 1 0 343.383 3.287 20 10 EGCDRO CCc1noc(C2CCC([NH2+]Cc3ccc(OC)cc3O)CC2)n1 ZINC000366820521 457902186 /nfs/dbraw/zinc/90/21/86/457902186.db2.gz CDFZXJLMWZLJQS-UHFFFAOYSA-N 1 0 331.416 3.162 20 10 EGCDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000371401678 457911545 /nfs/dbraw/zinc/91/15/45/457911545.db2.gz QUTRNKGDXWQYRB-UYAOXDASSA-N 1 0 330.472 3.105 20 10 EGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1F ZINC000371665164 458025230 /nfs/dbraw/zinc/02/52/30/458025230.db2.gz KXBHSOHKHWQPTK-HNNXBMFYSA-N 1 0 330.451 3.080 20 10 EGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)c1O ZINC000362086134 458030197 /nfs/dbraw/zinc/03/01/97/458030197.db2.gz KROWDIROXACGSY-MRXNPFEDSA-N 1 0 327.428 3.181 20 10 EGCDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2cccs2)c(O)c1 ZINC000373466726 458500470 /nfs/dbraw/zinc/50/04/70/458500470.db2.gz PLKHIFISZYAWMX-UHFFFAOYSA-N 1 0 329.425 3.153 20 10 EGCDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472231454 458775268 /nfs/dbraw/zinc/77/52/68/458775268.db2.gz GJFXODOOLWRPPG-INIZCTEOSA-N 1 0 342.487 3.112 20 10 EGCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000567319747 459083850 /nfs/dbraw/zinc/08/38/50/459083850.db2.gz NKYSHQIYGTXOOK-HNNXBMFYSA-N 1 0 344.503 3.406 20 10 EGCDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)OC)c1 ZINC000527929375 459774996 /nfs/dbraw/zinc/77/49/96/459774996.db2.gz RTNFTSMMHLFBLH-BFUOFWGJSA-N 1 0 331.412 3.448 20 10 EGCDRO C[C@@H]([NH2+]Cc1cnc2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000727644685 574680406 /nfs/dbraw/zinc/68/04/06/574680406.db2.gz QBWZNOHUPXPHFH-MRXNPFEDSA-N 1 0 348.450 3.317 20 10 EGCDRO C[C@H](COc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000728781856 574770798 /nfs/dbraw/zinc/77/07/98/574770798.db2.gz DMPMVYZALDYSFA-MRXNPFEDSA-N 1 0 344.430 3.219 20 10 EGCDRO CC1(C)CN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000729683049 574878580 /nfs/dbraw/zinc/87/85/80/574878580.db2.gz SAFKXOVJPNEKJS-UHFFFAOYSA-N 1 0 340.467 3.260 20 10 EGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000729683582 574879085 /nfs/dbraw/zinc/87/90/85/574879085.db2.gz PESXBIGJRZHQII-PMACEKPBSA-N 1 0 338.451 3.012 20 10 EGCDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729685916 574879242 /nfs/dbraw/zinc/87/92/42/574879242.db2.gz VWJQJSZIDNUFNK-UHFFFAOYSA-N 1 0 326.440 3.454 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000730773260 575018817 /nfs/dbraw/zinc/01/88/17/575018817.db2.gz ARCDCSQQJPTGCR-QGZVFWFLSA-N 1 0 337.467 3.369 20 10 EGCDRO CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000730806350 575022383 /nfs/dbraw/zinc/02/23/83/575022383.db2.gz HOGCUVXVFDIKNT-QGZVFWFLSA-N 1 0 332.488 3.456 20 10 EGCDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000731218052 575060927 /nfs/dbraw/zinc/06/09/27/575060927.db2.gz QZIKKPCDCJJDGF-LJQANCHMSA-N 1 0 346.519 3.206 20 10 EGCDRO CCOc1cccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1O ZINC000731360372 575068116 /nfs/dbraw/zinc/06/81/16/575068116.db2.gz FGBKZMDQXYZUCW-UHFFFAOYSA-N 1 0 346.471 3.062 20 10 EGCDRO COC(=O)CN(CCc1cccs1)Cc1cc(Cl)ccc1O ZINC000731844813 575211941 /nfs/dbraw/zinc/21/19/41/575211941.db2.gz JNJOITHWIURDMT-UHFFFAOYSA-N 1 0 339.844 3.325 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000732241531 575248601 /nfs/dbraw/zinc/24/86/01/575248601.db2.gz LHQOGKGQPLREKI-IBGZPJMESA-N 1 0 346.519 3.206 20 10 EGCDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732820090 575290226 /nfs/dbraw/zinc/29/02/26/575290226.db2.gz DEBOBUNXXURUQD-GOSISDBHSA-N 1 0 335.448 3.226 20 10 EGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000733892555 575411193 /nfs/dbraw/zinc/41/11/93/575411193.db2.gz OFWZYSGPNDPCEU-KRWDZBQOSA-N 1 0 331.504 3.366 20 10 EGCDRO C[C@@](CO)([NH2+]Cc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000734845586 575559815 /nfs/dbraw/zinc/55/98/15/575559815.db2.gz VWHAJUAELHHHFP-INIZCTEOSA-N 1 0 325.330 3.408 20 10 EGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000736348690 575941671 /nfs/dbraw/zinc/94/16/71/575941671.db2.gz UJRWXPNWAJQCGG-VQIMIIECSA-N 1 0 337.467 3.239 20 10 EGCDRO C[NH+](C)CC1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737365299 576214930 /nfs/dbraw/zinc/21/49/30/576214930.db2.gz JHGQJEGRHSSHMZ-UHFFFAOYSA-N 1 0 342.439 3.017 20 10 EGCDRO Cc1cc(C(=O)NCCCC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000742833736 576796153 /nfs/dbraw/zinc/79/61/53/576796153.db2.gz FIGVYTFMJVTTFV-UHFFFAOYSA-N 1 0 327.472 3.474 20 10 EGCDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c(O)c1 ZINC000877590837 1299417732 /nfs/dbraw/zinc/41/77/32/1299417732.db2.gz JCCGSBGGGCOUBP-HXUWFJFHSA-N 1 0 341.451 3.321 20 10 EGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)CCC3CC3)CC2)cc1 ZINC000769406263 1303108775 /nfs/dbraw/zinc/10/87/75/1303108775.db2.gz IMDBFUIMXXJBRK-SFHVURJKSA-N 1 0 345.531 3.376 20 10 EGCDRO COc1ccc(N2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1 ZINC000058126804 1291880161 /nfs/dbraw/zinc/88/01/61/1291880161.db2.gz WFCYALPWCMXAKM-UHFFFAOYSA-N 1 0 330.403 3.035 20 10 EGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000068192284 1292190964 /nfs/dbraw/zinc/19/09/64/1292190964.db2.gz 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OQNXXEUFQMUOAB-OIISXLGYSA-N 1 0 326.440 3.059 20 10 EGCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1ccc(C)cc1O ZINC000834910219 1293174223 /nfs/dbraw/zinc/17/42/23/1293174223.db2.gz CLUSBGPKUZKNDH-ZVZYQTTQSA-N 1 0 329.444 3.395 20 10 EGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000835069186 1293198904 /nfs/dbraw/zinc/19/89/04/1293198904.db2.gz KWTYLHAEHVCFKD-GDBMZVCRSA-N 1 0 334.460 3.375 20 10 EGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000120700750 1293334328 /nfs/dbraw/zinc/33/43/28/1293334328.db2.gz JCXDHVXBUGWSIT-SCTDSRPQSA-N 1 0 332.488 3.083 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccccc1O ZINC000121082289 1293354625 /nfs/dbraw/zinc/35/46/25/1293354625.db2.gz VDCSZVCQTNVEDM-FUHWJXTLSA-N 1 0 331.412 3.184 20 10 EGCDRO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000127010141 1293550482 /nfs/dbraw/zinc/55/04/82/1293550482.db2.gz KJMDRPDFTNQVKY-OAHLLOKOSA-N 1 0 348.878 3.114 20 10 EGCDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c(C)n1-c1cccc(Cl)c1 ZINC000130138681 1293646290 /nfs/dbraw/zinc/64/62/90/1293646290.db2.gz MKBBAWYMOWFVQM-OAHLLOKOSA-N 1 0 345.874 3.477 20 10 EGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000130921405 1293672695 /nfs/dbraw/zinc/67/26/95/1293672695.db2.gz GXZPGWJFABIQPX-IBGZPJMESA-N 1 0 343.446 3.362 20 10 EGCDRO COc1cccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c1O ZINC000134477245 1293773926 /nfs/dbraw/zinc/77/39/26/1293773926.db2.gz ZOUFXGGDZXSWGI-UHFFFAOYSA-N 1 0 343.210 3.271 20 10 EGCDRO C[C@H](C(=O)NCCCSc1nccs1)[C@H]([NH3+])c1ccccc1 ZINC000158524010 1294206921 /nfs/dbraw/zinc/20/69/21/1294206921.db2.gz QBSXUOGEQHIXSL-JSGCOSHPSA-N 1 0 335.498 3.078 20 10 EGCDRO COc1cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c(O)cc1C ZINC000160482220 1294268981 /nfs/dbraw/zinc/26/89/81/1294268981.db2.gz SIJAYTXMXDIHHW-OAQYLSRUSA-N 1 0 339.435 3.383 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000164216482 1294345704 /nfs/dbraw/zinc/34/57/04/1294345704.db2.gz XFKOESJRFXMDFZ-UHFFFAOYSA-N 1 0 347.846 3.080 20 10 EGCDRO CCOCc1cc(C[NH2+]C[C@](C)(O)c2cccs2)ccc1OC ZINC000172674957 1294441466 /nfs/dbraw/zinc/44/14/66/1294441466.db2.gz SASVJQYDNALXEJ-SFHVURJKSA-N 1 0 335.469 3.291 20 10 EGCDRO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000179571508 1294804078 /nfs/dbraw/zinc/80/40/78/1294804078.db2.gz UFLOFDOLKONEBN-INIZCTEOSA-N 1 0 329.396 3.063 20 10 EGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000179643308 1294811753 /nfs/dbraw/zinc/81/17/53/1294811753.db2.gz HCUBYUULTYDSNX-UHFFFAOYSA-N 1 0 344.430 3.248 20 10 EGCDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1O ZINC000183396195 1295116132 /nfs/dbraw/zinc/11/61/32/1295116132.db2.gz JCMPMTWMNXOWEH-VQIMIIECSA-N 1 0 326.440 3.116 20 10 EGCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ncc(C)c(OC)c2C)c1 ZINC000183783534 1295142594 /nfs/dbraw/zinc/14/25/94/1295142594.db2.gz WOHZONGLDYYRKO-UHFFFAOYSA-N 1 0 330.428 3.443 20 10 EGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1O ZINC000183803683 1295143979 /nfs/dbraw/zinc/14/39/79/1295143979.db2.gz DEBXHZJZNHTKDD-HNNXBMFYSA-N 1 0 335.444 3.263 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+][C@]2(CO)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000184194719 1295177761 /nfs/dbraw/zinc/17/77/61/1295177761.db2.gz CIOOSDYEMPZEPD-FQEVSTJZSA-N 1 0 335.488 3.228 20 10 EGCDRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000186114604 1295305714 /nfs/dbraw/zinc/30/57/14/1295305714.db2.gz KBIAWBABECATIV-CQSZACIVSA-N 1 0 331.412 3.447 20 10 EGCDRO CCOc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O ZINC000189628694 1295535438 /nfs/dbraw/zinc/53/54/38/1295535438.db2.gz XXZIKHHZKMJUPA-CJNGLKHVSA-N 1 0 347.377 3.364 20 10 EGCDRO CCN(CC)c1ccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1F ZINC000236910956 1296211736 /nfs/dbraw/zinc/21/17/36/1296211736.db2.gz YENQZQNPSYIXEM-HNNXBMFYSA-N 1 0 349.494 3.314 20 10 EGCDRO Cc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000237778233 1296262715 /nfs/dbraw/zinc/26/27/15/1296262715.db2.gz MNLKDCIOWKEVLY-LJQANCHMSA-N 1 0 329.419 3.090 20 10 EGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)CC1 ZINC000255622064 1296554022 /nfs/dbraw/zinc/55/40/22/1296554022.db2.gz XUCCNFSWWHQTCL-GXDHUFHOSA-N 1 0 336.457 3.121 20 10 EGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000261380045 1296589976 /nfs/dbraw/zinc/58/99/76/1296589976.db2.gz DFJJUCWIASPXFN-OAHLLOKOSA-N 1 0 327.472 3.473 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000275302782 1296713600 /nfs/dbraw/zinc/71/36/00/1296713600.db2.gz IHZYFIPPYDKMPX-FRJFDASCSA-N 1 0 326.234 3.434 20 10 EGCDRO C[C@@H]([NH2+]C1CC1)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000296608168 1296767489 /nfs/dbraw/zinc/76/74/89/1296767489.db2.gz YYIUMOAMFIFWON-OAHLLOKOSA-N 1 0 341.455 3.015 20 10 EGCDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000301814118 1296794446 /nfs/dbraw/zinc/79/44/46/1296794446.db2.gz HEPWVADEKFZELA-HOTGVXAUSA-N 1 0 332.444 3.157 20 10 EGCDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000304060883 1296896585 /nfs/dbraw/zinc/89/65/85/1296896585.db2.gz OWSGYODIUBEVRS-MEBBXXQBSA-N 1 0 346.265 3.050 20 10 EGCDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1F ZINC000304130083 1296902489 /nfs/dbraw/zinc/90/24/89/1296902489.db2.gz VUCDNQNNQKLQBQ-MRXNPFEDSA-N 1 0 327.758 3.321 20 10 EGCDRO C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000323957004 1297204456 /nfs/dbraw/zinc/20/44/56/1297204456.db2.gz YPODDHLQCYEAEI-INIZCTEOSA-N 1 0 338.455 3.255 20 10 EGCDRO CCOC(=O)N1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC000324029183 1297206148 /nfs/dbraw/zinc/20/61/48/1297206148.db2.gz OGLFCQIYFPFBRL-ZFWWWQNUSA-N 1 0 332.444 3.459 20 10 EGCDRO CCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000873138997 1297293610 /nfs/dbraw/zinc/29/36/10/1297293610.db2.gz QQOHFHOMLOHKSX-LJQANCHMSA-N 1 0 332.488 3.127 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000383846390 1297574739 /nfs/dbraw/zinc/57/47/39/1297574739.db2.gz LDOYQKFEDFODNA-GJZGRUSLSA-N 1 0 332.444 3.369 20 10 EGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000707172811 1298226302 /nfs/dbraw/zinc/22/63/02/1298226302.db2.gz XWZNMCGKDRXQRZ-UHFFFAOYSA-N 1 0 326.234 3.157 20 10 EGCDRO CCOc1cccc(C[NH2+]CCN2CCCc3ccccc32)c1O ZINC000725848912 1298375243 /nfs/dbraw/zinc/37/52/43/1298375243.db2.gz CRKDGKVTDULVGF-UHFFFAOYSA-N 1 0 326.440 3.333 20 10 EGCDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC000875573115 1298394468 /nfs/dbraw/zinc/39/44/68/1298394468.db2.gz ANMCFTXYWSHQBP-HOCLYGCPSA-N 1 0 345.443 3.222 20 10 EGCDRO CCC(CC)[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)OC ZINC000746762489 1298656935 /nfs/dbraw/zinc/65/69/35/1298656935.db2.gz WJMACMNPVGZKMU-HXUWFJFHSA-N 1 0 334.504 3.454 20 10 EGCDRO Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C(C)C)n1 ZINC000876507115 1298797599 /nfs/dbraw/zinc/79/75/99/1298797599.db2.gz VWIBPLLFGVYJEZ-SFHVURJKSA-N 1 0 340.471 3.009 20 10 EGCDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(C)cccc3O)C2)nc1 ZINC000876598621 1298857823 /nfs/dbraw/zinc/85/78/23/1298857823.db2.gz ZIGDCNDEMZPGEH-MRXNPFEDSA-N 1 0 339.439 3.255 20 10 EGCDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876797085 1298991575 /nfs/dbraw/zinc/99/15/75/1298991575.db2.gz MFQATSHAWMRJMI-TZIWHRDSSA-N 1 0 346.515 3.283 20 10 EGCDRO Cc1ccc(CNc2ccc(CC[NH+]3CCOCC3)cc2)c(O)c1 ZINC000876825575 1299016986 /nfs/dbraw/zinc/01/69/86/1299016986.db2.gz YUVZIIJPUOFOTF-UHFFFAOYSA-N 1 0 326.440 3.187 20 10 EGCDRO Cc1ccc(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)c(O)c1 ZINC000876851094 1299033161 /nfs/dbraw/zinc/03/31/61/1299033161.db2.gz CKNQBJNFEKWPPM-UHFFFAOYSA-N 1 0 327.428 3.203 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCCC[C@@H]1C ZINC000876931822 1299072728 /nfs/dbraw/zinc/07/27/28/1299072728.db2.gz WGQUBCNWLDAXMJ-ZWKOTPCHSA-N 1 0 345.531 3.000 20 10 EGCDRO OCc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000876943015 1299079401 /nfs/dbraw/zinc/07/94/01/1299079401.db2.gz MLXLJTXDKZCNII-UHFFFAOYSA-N 1 0 328.481 3.022 20 10 EGCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168263 1299190890 /nfs/dbraw/zinc/19/08/90/1299190890.db2.gz QTPDYNKFVGLPJF-LSDHHAIUSA-N 1 0 334.460 3.436 20 10 EGCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877420815 1299288361 /nfs/dbraw/zinc/28/83/61/1299288361.db2.gz FTDPPVKRHDNIKR-RTWAWAEBSA-N 1 0 346.515 3.331 20 10 EGCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)Oc2ccccc21 ZINC000877589013 1299417350 /nfs/dbraw/zinc/41/73/50/1299417350.db2.gz FKVHZTJLSJRRNR-LJQANCHMSA-N 1 0 327.355 3.141 20 10 EGCDRO OC1CCN(c2ccc(C[N@@H+]3CCSC[C@@H]3C3CCC3)cc2)CC1 ZINC000877593904 1299420013 /nfs/dbraw/zinc/42/00/13/1299420013.db2.gz IWUWFEZNBILXQJ-HXUWFJFHSA-N 1 0 346.540 3.365 20 10 EGCDRO COC(=O)c1cnc(C2CC[NH+](Cc3c(C)cccc3O)CC2)s1 ZINC000877652978 1299456337 /nfs/dbraw/zinc/45/63/37/1299456337.db2.gz SHAKHRBGHGGLIA-UHFFFAOYSA-N 1 0 346.452 3.323 20 10 EGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c1O ZINC000750979079 1299490246 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CCN(CC[NH2+][C@@H](C)c1cc(OC)ccc1O)CCC(F)(F)F ZINC000756051017 1300432260 /nfs/dbraw/zinc/43/22/60/1300432260.db2.gz SWYIAYYNWSFQIH-LBPRGKRZSA-N 1 0 334.382 3.326 20 10 EGCDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000756140776 1300445004 /nfs/dbraw/zinc/44/50/04/1300445004.db2.gz RBTBOJFZVIBKBN-HNNXBMFYSA-N 1 0 335.448 3.083 20 10 EGCDRO CC(C)[C@@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)N1CCOCC1 ZINC000756369398 1300477847 /nfs/dbraw/zinc/47/78/47/1300477847.db2.gz SFIKNCKLVUTHSN-VNQPRFMTSA-N 1 0 336.451 3.026 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000756378297 1300479519 /nfs/dbraw/zinc/47/95/19/1300479519.db2.gz BVKIGVCACVAHBQ-LLVKDONJSA-N 1 0 334.366 3.223 20 10 EGCDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)N1CCOCC1 ZINC000756398471 1300484417 /nfs/dbraw/zinc/48/44/17/1300484417.db2.gz HVGGBGUNVXBNTP-VQIMIIECSA-N 1 0 334.504 3.488 20 10 EGCDRO C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)c2c1c(F)ccc2O ZINC000756402822 1300484508 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3.025 20 10 EGCDRO CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756762021 1300561201 /nfs/dbraw/zinc/56/12/01/1300561201.db2.gz SGXWGFMLQWORCI-HUUCEWRRSA-N 1 0 335.448 3.319 20 10 EGCDRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2ccccc2O)C2CC2)o1 ZINC000879648292 1300647606 /nfs/dbraw/zinc/64/76/06/1300647606.db2.gz IRTADUMVPLLLAL-CQSZACIVSA-N 1 0 328.412 3.135 20 10 EGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(C)(C)O)C3)cc2)CC1 ZINC000879964610 1300810782 /nfs/dbraw/zinc/81/07/82/1300810782.db2.gz KMXLGORCWLRKLM-SFHVURJKSA-N 1 0 346.515 3.285 20 10 EGCDRO COC1(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CCOCC1 ZINC000758339363 1300855000 /nfs/dbraw/zinc/85/50/00/1300855000.db2.gz UQEROBCKBZYQSP-UHFFFAOYSA-N 1 0 332.488 3.208 20 10 EGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c1 ZINC000758492033 1300895576 /nfs/dbraw/zinc/89/55/76/1300895576.db2.gz DSDGAUYKNBNXFK-IBGZPJMESA-N 1 0 342.508 3.408 20 10 EGCDRO OC[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]1c1ccc(F)cc1 ZINC000758527176 1300902834 /nfs/dbraw/zinc/90/28/34/1300902834.db2.gz GXWKDLWNECUJON-UYAOXDASSA-N 1 0 327.399 3.016 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1C ZINC000758531116 1300905846 /nfs/dbraw/zinc/90/58/46/1300905846.db2.gz WOAYGRAYBMUBNS-QUCCMNQESA-N 1 0 329.415 3.399 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC(F)F)c1O ZINC000760035730 1301212692 /nfs/dbraw/zinc/21/26/92/1301212692.db2.gz CWILWHLOSKCJPW-WPRPVWTQSA-N 1 0 338.192 3.130 20 10 EGCDRO CN(C)c1ccc(Cn2cc(C[N@H+](C)C3CCCCC3)nn2)cc1 ZINC000881270844 1301508641 /nfs/dbraw/zinc/50/86/41/1301508641.db2.gz BYEGJNIOEJDLKD-UHFFFAOYSA-N 1 0 327.476 3.157 20 10 EGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1F ZINC000762614165 1301712486 /nfs/dbraw/zinc/71/24/86/1301712486.db2.gz KRFQWXXKQKUXNG-BMFZPTHFSA-N 1 0 326.506 3.361 20 10 EGCDRO OCC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CCOCC1 ZINC000763465644 1301909599 /nfs/dbraw/zinc/90/95/99/1301909599.db2.gz BHNVTAKNFLZMEW-HXUWFJFHSA-N 1 0 341.451 3.326 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3Cc4cccc(O)c4C3)CC2)cc1 ZINC000763476372 1301911750 /nfs/dbraw/zinc/91/17/50/1301911750.db2.gz AUWOWJVTLXMYSQ-QGZVFWFLSA-N 1 0 338.451 3.127 20 10 EGCDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CCOC1 ZINC000763571563 1301926328 /nfs/dbraw/zinc/92/63/28/1301926328.db2.gz JVUJFWZZBRBDSY-KXBFYZLASA-N 1 0 336.451 3.272 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000764741422 1302126362 /nfs/dbraw/zinc/12/63/62/1302126362.db2.gz DDQFZABBELQSID-PMACEKPBSA-N 1 0 333.520 3.150 20 10 EGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765250607 1302228509 /nfs/dbraw/zinc/22/85/09/1302228509.db2.gz CJYDUMZXCBWRCB-ZHALLVOQSA-N 1 0 329.488 3.057 20 10 EGCDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765254515 1302229738 /nfs/dbraw/zinc/22/97/38/1302229738.db2.gz NFZUZGOYJYLYNB-GJZGRUSLSA-N 1 0 338.879 3.254 20 10 EGCDRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883072843 1302230733 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20 10 EGCDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000766435853 1302452141 /nfs/dbraw/zinc/45/21/41/1302452141.db2.gz AQTRTDRWEYRMJM-QFBILLFUSA-N 1 0 329.488 3.338 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)cc1 ZINC000766597597 1302484280 /nfs/dbraw/zinc/48/42/80/1302484280.db2.gz BUJUHJJHISHBRC-ZCNNSNEGSA-N 1 0 330.472 3.211 20 10 EGCDRO c1c(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)nc2n1CCS2 ZINC000767188543 1302601265 /nfs/dbraw/zinc/60/12/65/1302601265.db2.gz JZABXWPBDTUDTQ-UHFFFAOYSA-N 1 0 342.512 3.311 20 10 EGCDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439796 1302900935 /nfs/dbraw/zinc/90/09/35/1302900935.db2.gz JYLBFMCEQOYSLZ-LJQANCHMSA-N 1 0 343.423 3.239 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)[C@H](O)CO2 ZINC000768447839 1302905720 /nfs/dbraw/zinc/90/57/20/1302905720.db2.gz PXRYTOVZXCQSHH-SJLPKXTDSA-N 1 0 347.361 3.433 20 10 EGCDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768447904 1302906067 /nfs/dbraw/zinc/90/60/67/1302906067.db2.gz RKJWBHAYWHBBIG-SPKLELGKSA-N 1 0 343.398 3.335 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCSC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768444370 1302908216 /nfs/dbraw/zinc/90/82/16/1302908216.db2.gz AGMKFWXBUSDPMO-WMZOPIPTSA-N 1 0 343.448 3.108 20 10 EGCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C3=CC(=O)CS3)c2)CC1 ZINC000768526838 1302924009 /nfs/dbraw/zinc/92/40/09/1302924009.db2.gz QAKVSKIUEYTDCT-UHFFFAOYSA-N 1 0 345.468 3.236 20 10 EGCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769332335 1303094343 /nfs/dbraw/zinc/09/43/43/1303094343.db2.gz AHDUIJLWGOLWKH-CQSZACIVSA-N 1 0 340.851 3.487 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000769382114 1303102825 /nfs/dbraw/zinc/10/28/25/1303102825.db2.gz RKGMAGWMFRLOMG-FQEVSTJZSA-N 1 0 345.414 3.486 20 10 EGCDRO CCOC(=O)C1([N@H+](C)Cc2ccc(OCC)cc2O)CCCCC1 ZINC000769503824 1303129287 /nfs/dbraw/zinc/12/92/87/1303129287.db2.gz NKUFWRJFMGZKAH-UHFFFAOYSA-N 1 0 335.444 3.489 20 10 EGCDRO CN(C)c1ccc(C[NH+]2CCC(N(C)CC(F)F)CC2)cc1F ZINC000769508012 1303130844 /nfs/dbraw/zinc/13/08/44/1303130844.db2.gz CGKZBXLUJIOKCV-UHFFFAOYSA-N 1 0 329.410 3.053 20 10 EGCDRO CCOc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(O)c1 ZINC000769544090 1303138514 /nfs/dbraw/zinc/13/85/14/1303138514.db2.gz SSPGWVOAVWAJBT-LJQANCHMSA-N 1 0 349.471 3.341 20 10 EGCDRO COc1cccc(O)c1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770663431 1303301942 /nfs/dbraw/zinc/30/19/42/1303301942.db2.gz CWDBRPBUDXYWOL-UHFFFAOYSA-N 1 0 345.414 3.110 20 10 EGCDRO CCOC(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000770665354 1303303321 /nfs/dbraw/zinc/30/33/21/1303303321.db2.gz JVMFCOSMAUHGOW-UHFFFAOYSA-N 1 0 325.408 3.492 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1C ZINC000770748489 1303313520 /nfs/dbraw/zinc/31/35/20/1303313520.db2.gz GGDJCNMEOWICLR-CQSZACIVSA-N 1 0 346.377 3.177 20 10 EGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CC12CCC2 ZINC000771067582 1303355957 /nfs/dbraw/zinc/35/59/57/1303355957.db2.gz UPPLAMNDZKFVBL-HOTGVXAUSA-N 1 0 348.874 3.316 20 10 EGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]CC3CCCCCC3)cc2)CC1 ZINC000886325188 1303434292 /nfs/dbraw/zinc/43/42/92/1303434292.db2.gz YBMHABQSLWQKII-UHFFFAOYSA-N 1 0 343.515 3.448 20 10 EGCDRO C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1c([O-])cccc1F ZINC000886506161 1303479941 /nfs/dbraw/zinc/47/99/41/1303479941.db2.gz FDGCCVUIPBXDSN-AWEZNQCLSA-N 1 0 332.419 3.323 20 10 EGCDRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773012905 1303607308 /nfs/dbraw/zinc/60/73/08/1303607308.db2.gz DKJOLATZXAFERW-ZBFHGGJFSA-N 1 0 340.895 3.378 20 10 EGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)S(C)(=O)=O ZINC000773107610 1303625886 /nfs/dbraw/zinc/62/58/86/1303625886.db2.gz YIQDCZSWYYDQHM-HZPDHXFCSA-N 1 0 338.517 3.151 20 10 EGCDRO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773135487 1303630847 /nfs/dbraw/zinc/63/08/47/1303630847.db2.gz CTTDYEVXMKLUES-CQSZACIVSA-N 1 0 346.519 3.422 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000773152859 1303634032 /nfs/dbraw/zinc/63/40/32/1303634032.db2.gz TXCKLHVPLRYDOP-RBSFLKMASA-N 1 0 338.879 3.395 20 10 EGCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773754750 1303735142 /nfs/dbraw/zinc/73/51/42/1303735142.db2.gz NMOSBRNGYOQPIL-MOPGFXCFSA-N 1 0 331.504 3.364 20 10 EGCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000773758555 1303736074 /nfs/dbraw/zinc/73/60/74/1303736074.db2.gz VNKSSTRLOKKQMV-INIZCTEOSA-N 1 0 333.476 3.242 20 10 EGCDRO COc1c(O)c(C[N@H+](Cc2ccccn2)C(C)C)ccc1[N+](=O)[O-] ZINC000774846121 1303866410 /nfs/dbraw/zinc/86/64/10/1303866410.db2.gz MYMWMAXHYRTJQK-UHFFFAOYSA-N 1 0 331.372 3.115 20 10 EGCDRO C[C@@H]([NH2+]Cc1cccc(Cl)n1)c1ccc(N2CCOCC2)cc1 ZINC000775254983 1303931119 /nfs/dbraw/zinc/93/11/19/1303931119.db2.gz MMESSEQVKOIFRV-CQSZACIVSA-N 1 0 331.847 3.422 20 10 EGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000775362704 1303947124 /nfs/dbraw/zinc/94/71/24/1303947124.db2.gz HUMUIYMYBWYOEO-JTQLQIEISA-N 1 0 329.322 3.010 20 10 EGCDRO CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775489924 1303973224 /nfs/dbraw/zinc/97/32/24/1303973224.db2.gz UEIGXBUUIWJTCU-FZMZJTMJSA-N 1 0 347.286 3.196 20 10 EGCDRO CC[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Cl)ccc1O ZINC000775497634 1303974402 /nfs/dbraw/zinc/97/44/02/1303974402.db2.gz SZFKKELESMYEEO-INIZCTEOSA-N 1 0 332.831 3.403 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000775639197 1304000495 /nfs/dbraw/zinc/00/04/95/1304000495.db2.gz RGDIZZYZYFHFHX-UHFFFAOYSA-N 1 0 332.831 3.376 20 10 EGCDRO Cc1cc(Br)cc(CN2CCC[N@@H+](C(C)C)CC2)c1O ZINC000775636925 1304000752 /nfs/dbraw/zinc/00/07/52/1304000752.db2.gz JBLCYRHEJWDWHA-UHFFFAOYSA-N 1 0 341.293 3.379 20 10 EGCDRO COc1ccc(O)c(C[NH+]2CCN(c3cccc(F)c3F)CC2)c1 ZINC000775696023 1304017201 /nfs/dbraw/zinc/01/72/01/1304017201.db2.gz GVDQFHMMAMKTRQ-UHFFFAOYSA-N 1 0 334.366 3.001 20 10 EGCDRO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1ccc(N(C)C)cc1 ZINC000775829028 1304045267 /nfs/dbraw/zinc/04/52/67/1304045267.db2.gz WKBWIXQBJOMINE-GFCCVEGCSA-N 1 0 332.835 3.090 20 10 EGCDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775833787 1304046616 /nfs/dbraw/zinc/04/66/16/1304046616.db2.gz MCBTZXOBKQIUJO-PXNSSMCTSA-N 1 0 342.483 3.460 20 10 EGCDRO COC(=O)c1ccccc1OCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833389 1304046669 /nfs/dbraw/zinc/04/66/69/1304046669.db2.gz CLKZNFNDFCSBFN-HNNXBMFYSA-N 1 0 342.439 3.269 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+]C(C)(C)c2cnn(C)c2)c1O ZINC000776177213 1304107115 /nfs/dbraw/zinc/10/71/15/1304107115.db2.gz KQHYMTPIIBQGAU-UHFFFAOYSA-N 1 0 338.249 3.222 20 10 EGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000776175768 1304107222 /nfs/dbraw/zinc/10/72/22/1304107222.db2.gz QLLAHAVENUBIJZ-YOEHRIQHSA-N 1 0 338.879 3.026 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000776222287 1304116552 /nfs/dbraw/zinc/11/65/52/1304116552.db2.gz BFZJYRZNSVHFRA-BXUZGUMPSA-N 1 0 327.266 3.035 20 10 EGCDRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000776242875 1304120119 /nfs/dbraw/zinc/12/01/19/1304120119.db2.gz BJNAUAGUAFYLTR-APWZRJJASA-N 1 0 344.503 3.083 20 10 EGCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000776809236 1304203264 /nfs/dbraw/zinc/20/32/64/1304203264.db2.gz QKZXELHDAPYKEK-HZPDHXFCSA-N 1 0 334.460 3.356 20 10 EGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000779027726 1304520955 /nfs/dbraw/zinc/52/09/55/1304520955.db2.gz UBYJLMMMHCBOPA-AAEUAGOBSA-N 1 0 341.293 3.456 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CCO)C2CC2)c1O ZINC000779031511 1304521065 /nfs/dbraw/zinc/52/10/65/1304521065.db2.gz IOEWHGJXURVGGX-QMTHXVAHSA-N 1 0 328.250 3.275 20 10 EGCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000779605755 1304586161 /nfs/dbraw/zinc/58/61/61/1304586161.db2.gz YKPKZRBZPPLMNZ-OAHLLOKOSA-N 1 0 336.451 3.303 20 10 EGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1)[C@@H](O)CO2 ZINC000779890385 1304619336 /nfs/dbraw/zinc/61/93/36/1304619336.db2.gz VZUMGZUGXKDMPT-WIIIZXMTSA-N 1 0 337.419 3.496 20 10 EGCDRO CCOC(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000780582269 1304711966 /nfs/dbraw/zinc/71/19/66/1304711966.db2.gz ADTFKHUOQWIVCS-UHFFFAOYSA-N 1 0 335.448 3.490 20 10 EGCDRO COc1cc(C)cc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c1O ZINC000782275308 1304945277 /nfs/dbraw/zinc/94/52/77/1304945277.db2.gz MNVANKWEUUQBAP-UHFFFAOYSA-N 1 0 342.439 3.456 20 10 EGCDRO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000891477213 1305061934 /nfs/dbraw/zinc/06/19/34/1305061934.db2.gz DJJJWJPXTPIRIP-UHFFFAOYSA-N 1 0 347.411 3.059 20 10 EGCDRO Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000783236360 1305068270 /nfs/dbraw/zinc/06/82/70/1305068270.db2.gz GXCQAQZRKKNHQF-FQEVSTJZSA-N 1 0 348.450 3.443 20 10 EGCDRO COCC[N@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1O ZINC000891511346 1305073768 /nfs/dbraw/zinc/07/37/68/1305073768.db2.gz UMQLBDQZFJEWPS-UHFFFAOYSA-N 1 0 337.441 3.120 20 10 EGCDRO COc1ccc(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(O)c1OC ZINC000891735764 1305151660 /nfs/dbraw/zinc/15/16/60/1305151660.db2.gz NXBWJBVVSFDYAA-HLLBOEOZSA-N 1 0 348.487 3.247 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C2CCCCC2)N(C)C)c(O)c1OC ZINC000892597227 1305460914 /nfs/dbraw/zinc/46/09/14/1305460914.db2.gz QJXKYVMQYHXLJG-INIZCTEOSA-N 1 0 336.476 3.010 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccccc2OCC2CC2)c(O)c1OC ZINC000892985991 1305639488 /nfs/dbraw/zinc/63/94/88/1305639488.db2.gz SJOAMJCBIUUYHK-UHFFFAOYSA-N 1 0 343.423 3.488 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H]1C ZINC000787239909 1305716384 /nfs/dbraw/zinc/71/63/84/1305716384.db2.gz PJTZAFKVWSLRMF-DOMZBBRYSA-N 1 0 335.444 3.082 20 10 EGCDRO O=C(NCc1ccc(N2CCCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000787245701 1305717403 /nfs/dbraw/zinc/71/74/03/1305717403.db2.gz ADFKLCBNBBNYMO-UHFFFAOYSA-N 1 0 341.499 3.168 20 10 EGCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]1C ZINC000787421151 1305743211 /nfs/dbraw/zinc/74/32/11/1305743211.db2.gz NVFNFLUAJJMVKD-KSSFIOAISA-N 1 0 325.408 3.443 20 10 EGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cncn2C)c1O ZINC000788258329 1305909834 /nfs/dbraw/zinc/90/98/34/1305909834.db2.gz VIQXRYSZTUWXGU-LLVKDONJSA-N 1 0 338.249 3.090 20 10 EGCDRO C/C(=C/C(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608199 1305985980 /nfs/dbraw/zinc/98/59/80/1305985980.db2.gz SCBXJQAZBKPZKS-PEZBUJJGSA-N 1 0 329.488 3.047 20 10 EGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000789300563 1306135744 /nfs/dbraw/zinc/13/57/44/1306135744.db2.gz PRBRGFFOBRJDBE-CYBMUJFWSA-N 1 0 340.423 3.161 20 10 EGCDRO COc1ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c(O)c1OC ZINC000894544283 1308948021 /nfs/dbraw/zinc/94/80/21/1308948021.db2.gz LPZSFEVYHXBQEU-SFHVURJKSA-N 1 0 349.452 3.049 20 10 EGCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)nc(N2CCCC2)n1 ZINC000894592286 1308969561 /nfs/dbraw/zinc/96/95/61/1308969561.db2.gz SDAMWTHVHXZKKK-UHFFFAOYSA-N 1 0 338.455 3.000 20 10 EGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccnc1 ZINC000894613942 1308979093 /nfs/dbraw/zinc/97/90/93/1308979093.db2.gz UOONZLLTYMLJHC-IBGZPJMESA-N 1 0 326.440 3.256 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1O ZINC000894680452 1309019063 /nfs/dbraw/zinc/01/90/63/1309019063.db2.gz CGWSIQMVZDZTDH-AAEUAGOBSA-N 1 0 341.757 3.092 20 10 EGCDRO COc1cc(C)cc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000894784938 1309071534 /nfs/dbraw/zinc/07/15/34/1309071534.db2.gz OZERJDMSCUAYBD-OAHLLOKOSA-N 1 0 335.831 3.228 20 10 EGCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000894854558 1309101816 /nfs/dbraw/zinc/10/18/16/1309101816.db2.gz GOMSFXAWYWHGHJ-CYBMUJFWSA-N 1 0 344.224 3.173 20 10 EGCDRO CCc1onc(C)c1C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000895005823 1309151957 /nfs/dbraw/zinc/15/19/57/1309151957.db2.gz IYDHFRDJCCLTEI-HNNXBMFYSA-N 1 0 329.444 3.170 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c(O)c1OC ZINC000895181739 1309226528 /nfs/dbraw/zinc/22/65/28/1309226528.db2.gz YQXSDTSYBYXLEV-NSHDSACASA-N 1 0 334.243 3.473 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(OC)C2)c1O ZINC000793215506 1309318847 /nfs/dbraw/zinc/31/88/47/1309318847.db2.gz BBUQTQWYBRHRNU-OAHLLOKOSA-N 1 0 344.249 3.164 20 10 EGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)CC2CCC2)c1O ZINC000793321873 1309345328 /nfs/dbraw/zinc/34/53/28/1309345328.db2.gz LJGOJWPSYSMSMI-AWEZNQCLSA-N 1 0 328.250 3.104 20 10 EGCDRO COc1cccc(C[NH2+]C[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)c1O ZINC000895497286 1309372483 /nfs/dbraw/zinc/37/24/83/1309372483.db2.gz GTUQIZOGYJPNNW-KRWDZBQOSA-N 1 0 340.423 3.300 20 10 EGCDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794835198 1309605148 /nfs/dbraw/zinc/60/51/48/1309605148.db2.gz OYJNLXRHHXZUEX-MRXNPFEDSA-N 1 0 349.906 3.089 20 10 EGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H](O)c1ccccc1 ZINC000895947978 1309607282 /nfs/dbraw/zinc/60/72/82/1309607282.db2.gz PBVUOMLTYCMUDZ-WBVHZDCISA-N 1 0 331.412 3.011 20 10 EGCDRO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@]2(CCCOC2)O1 ZINC000794890055 1309617029 /nfs/dbraw/zinc/61/70/29/1309617029.db2.gz KXMJXXJEALMPDC-VLIAUNLRSA-N 1 0 349.471 3.165 20 10 EGCDRO OCC[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000796312852 1309964542 /nfs/dbraw/zinc/96/45/42/1309964542.db2.gz OBMQGCRNEGMBKO-NRFANRHFSA-N 1 0 336.479 3.500 20 10 EGCDRO Oc1cc2c(cc1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1)OCO2 ZINC000797889444 1310263728 /nfs/dbraw/zinc/26/37/28/1310263728.db2.gz MNFFRGWQVMPLTN-INIZCTEOSA-N 1 0 332.444 3.008 20 10 EGCDRO COc1cc(Br)cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c1O ZINC000799738186 1310609392 /nfs/dbraw/zinc/60/93/92/1310609392.db2.gz SZWYSXGQGIZUEJ-MFKMUULPSA-N 1 0 344.249 3.163 20 10 EGCDRO CCC[N@@H+](Cc1ccccc1O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800346931 1310740554 /nfs/dbraw/zinc/74/05/54/1310740554.db2.gz MSOOURWDZWJPOE-UHFFFAOYSA-N 1 0 334.460 3.471 20 10 EGCDRO C[C@H](CC1CCOCC1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451393 1310742387 /nfs/dbraw/zinc/74/23/87/1310742387.db2.gz YWMWSYNLVKANOI-OXQOHEQNSA-N 1 0 333.520 3.150 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)c1O ZINC000800544888 1310781387 /nfs/dbraw/zinc/78/13/87/1310781387.db2.gz GSDBMWPSZIHPSG-IBGZPJMESA-N 1 0 334.419 3.393 20 10 EGCDRO CC(C)N(CC1CC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899096423 1310932460 /nfs/dbraw/zinc/93/24/60/1310932460.db2.gz UEOLUBQFVIBJIY-LJQANCHMSA-N 1 0 346.519 3.185 20 10 EGCDRO CCCC[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccccc1O ZINC000801597576 1310971766 /nfs/dbraw/zinc/97/17/66/1310971766.db2.gz JSZMNDGPSOARMM-UHFFFAOYSA-N 1 0 330.472 3.299 20 10 EGCDRO CO[C@H]([C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000825098283 1320309655 /nfs/dbraw/zinc/30/96/55/1320309655.db2.gz FUZNQZUYPHJTOJ-ZUZCIYMTSA-N 1 0 328.250 3.366 20 10 EGCDRO CO[C@@H]([C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000825098281 1320309998 /nfs/dbraw/zinc/30/99/98/1320309998.db2.gz FUZNQZUYPHJTOJ-BONVTDFDSA-N 1 0 328.250 3.366 20 10 EGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000825342003 1320330772 /nfs/dbraw/zinc/33/07/72/1320330772.db2.gz YHMNFCYJOADJOS-ZDUSSCGKSA-N 1 0 326.234 3.346 20 10 EGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000825726714 1320358307 /nfs/dbraw/zinc/35/83/07/1320358307.db2.gz WJETVPNYYCPMAO-OAHLLOKOSA-N 1 0 349.228 3.203 20 10 EGCDRO Oc1ccccc1C[N@@H+](Cc1ccc2c(n1)CCC2)C[C@H]1CCCO1 ZINC000838784238 1320816317 /nfs/dbraw/zinc/81/63/17/1320816317.db2.gz RESFINCTRCSCBT-LJQANCHMSA-N 1 0 338.451 3.457 20 10 EGCDRO C[N@H+](CCOCC1CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000838785442 1320816500 /nfs/dbraw/zinc/81/65/00/1320816500.db2.gz ONOVYNQBOWIDGN-UHFFFAOYSA-N 1 0 332.488 3.162 20 10 EGCDRO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)c(C)c3)C2)[nH]1 ZINC000839662409 1320955849 /nfs/dbraw/zinc/95/58/49/1320955849.db2.gz YSOVCTZIRNCMSO-GOSISDBHSA-N 1 0 339.487 3.401 20 10 EGCDRO 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20 10 EGCDRO O=C(Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)C1=CC(=O)CS1 ZINC000908408255 1318338568 /nfs/dbraw/zinc/33/85/68/1318338568.db2.gz MVZAPUCSARBFHT-UHFFFAOYSA-N 1 0 343.408 3.443 20 10 EGCDRO COc1ccc(N2CCC(Nc3c[nH+]ccc3-n3cccn3)CC2)cc1 ZINC000812842748 1318469011 /nfs/dbraw/zinc/46/90/11/1318469011.db2.gz RWUXUJNWBRWHEH-UHFFFAOYSA-N 1 0 349.438 3.357 20 10 EGCDRO COc1cccc(C[N@@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)c1O ZINC000814178686 1318691114 /nfs/dbraw/zinc/69/11/14/1318691114.db2.gz ZUDBGSPCAWMOAW-AWEZNQCLSA-N 1 0 330.403 3.251 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3C(C)(C)C3(C)C)C2)cc1C ZINC001021943622 1318739526 /nfs/dbraw/zinc/73/95/26/1318739526.db2.gz ADOJKRMJZFMKBD-IYBDPMFKSA-N 1 0 344.499 3.423 20 10 EGCDRO Cc1cc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)ccc1N(C)C ZINC000815047957 1318872977 /nfs/dbraw/zinc/87/29/77/1318872977.db2.gz NAVQELINSJTPOM-HXUWFJFHSA-N 1 0 342.483 3.071 20 10 EGCDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815094686 1318889655 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COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000816610617 1319194003 /nfs/dbraw/zinc/19/40/03/1319194003.db2.gz RMXIBXXNOIISCI-GDBMZVCRSA-N 1 0 335.444 3.393 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000816630436 1319196715 /nfs/dbraw/zinc/19/67/15/1319196715.db2.gz DOTWMJAHFIJSIX-AWEZNQCLSA-N 1 0 340.261 3.343 20 10 EGCDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000816660524 1319202643 /nfs/dbraw/zinc/20/26/43/1319202643.db2.gz HJRRLZDDJQYWBR-KRWDZBQOSA-N 1 0 346.475 3.111 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CCC=CCC3)C2)cc1C ZINC001023100439 1319262128 /nfs/dbraw/zinc/26/21/28/1319262128.db2.gz LPZQYCVKUMCAQG-KDURUIRLSA-N 1 0 342.483 3.487 20 10 EGCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1CCNC(=O)CC1 ZINC000817295496 1319318206 /nfs/dbraw/zinc/31/82/06/1319318206.db2.gz ITVFJUFIZCHXBD-RDJZCZTQSA-N 1 0 330.472 3.246 20 10 EGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CCO)CC2)c1O ZINC000817418989 1319356873 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3.431 20 10 EGCDRO CC(C)CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000915685144 1319519710 /nfs/dbraw/zinc/51/97/10/1319519710.db2.gz XPOAQFONWFOBMK-UHFFFAOYSA-N 1 0 331.504 3.222 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(OC)c3O)C2)cc1 ZINC000818220373 1319521148 /nfs/dbraw/zinc/52/11/48/1319521148.db2.gz JRMBQDIJQYJFBX-OAHLLOKOSA-N 1 0 342.439 3.026 20 10 EGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ncc(Cl)s3)C2)cc1 ZINC000818221802 1319522854 /nfs/dbraw/zinc/52/28/54/1319522854.db2.gz NUJAVHNXJQEFRV-GFCCVEGCSA-N 1 0 337.876 3.421 20 10 EGCDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000818342296 1319530666 /nfs/dbraw/zinc/53/06/66/1319530666.db2.gz OOWPSOCTOMWTSL-JXFKEZNVSA-N 1 0 332.488 3.316 20 10 EGCDRO CN(C)c1ccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000915927318 1319563920 /nfs/dbraw/zinc/56/39/20/1319563920.db2.gz IPLLGMUGPUCXIS-LJQANCHMSA-N 1 0 346.519 3.062 20 10 EGCDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819291455 1319691857 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C[C@H](C[N@H+](C)Cc1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000823408746 1320176718 /nfs/dbraw/zinc/17/67/18/1320176718.db2.gz PWLJPGVYABWAEN-CQSZACIVSA-N 1 0 333.453 3.031 20 10 EGCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@H]1CCC2(CCCC2)O1 ZINC000823576733 1320187862 /nfs/dbraw/zinc/18/78/62/1320187862.db2.gz WVJODICXCHDCDR-QGZVFWFLSA-N 1 0 347.455 3.249 20 10 EGCDRO CCOC(=O)CN(CC[C@H]1CC1(Cl)Cl)Cc1ccccc1O ZINC000823575771 1320187967 /nfs/dbraw/zinc/18/79/67/1320187967.db2.gz BEZMMVKARVJGHK-ZDUSSCGKSA-N 1 0 346.254 3.341 20 10 EGCDRO OC[C@H]([C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1)C1CC1 ZINC000824845674 1320290769 /nfs/dbraw/zinc/29/07/69/1320290769.db2.gz MVGOSYNIBIRNPM-HOCLYGCPSA-N 1 0 340.261 3.041 20 10 EGCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000824889664 1320293976 /nfs/dbraw/zinc/29/39/76/1320293976.db2.gz SPDYBSGMVDMWCR-CYBMUJFWSA-N 1 0 341.293 3.318 20 10 EGCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OCC)ccc1OC ZINC000825040563 1320306174 /nfs/dbraw/zinc/30/61/74/1320306174.db2.gz NORBBIDWGKPOPD-DLBZAZTESA-N 1 0 335.444 3.053 20 10 EGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c1 ZINC000825117315 1320312045 /nfs/dbraw/zinc/31/20/45/1320312045.db2.gz ACVCERJEKSLHAT-NJAFHUGGSA-N 1 0 329.444 3.184 20 10 EGCDRO Cc1cccc(C(=O)NCC[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825132198 1320313787 /nfs/dbraw/zinc/31/37/87/1320313787.db2.gz YCIOBDSBIWEKRD-UHFFFAOYSA-N 1 0 332.831 3.182 20 10 EGCDRO CC1(C)CCCN1CC[NH2+]Cc1cc(Br)ccc1O ZINC000825325546 1320327208 /nfs/dbraw/zinc/32/72/08/1320327208.db2.gz DXQWPMXQJNZPIZ-UHFFFAOYSA-N 1 0 327.266 3.119 20 10 EGCDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825331360 1320328140 /nfs/dbraw/zinc/32/81/40/1320328140.db2.gz MJEXFEFYMKEGHK-OAHLLOKOSA-N 1 0 336.229 3.286 20 10 EGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1Cl ZINC000825375853 1320333118 /nfs/dbraw/zinc/33/31/18/1320333118.db2.gz RRQOEERRLBLXSD-UHFFFAOYSA-N 1 0 326.868 3.385 20 10 EGCDRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000825916846 1320370945 /nfs/dbraw/zinc/37/09/45/1320370945.db2.gz VHHOQWHQNBPSFS-OAHLLOKOSA-N 1 0 345.439 3.147 20 10 EGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000826020405 1320378783 /nfs/dbraw/zinc/37/87/83/1320378783.db2.gz UBJDTDZDGVXOQL-UYAOXDASSA-N 1 0 331.504 3.399 20 10 EGCDRO O=C1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]2N1 ZINC000827140150 1320429445 /nfs/dbraw/zinc/42/94/45/1320429445.db2.gz IJZAATKSLBWYNJ-HKUYNNGSSA-N 1 0 336.435 3.160 20 10 EGCDRO O=C1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@H]2N1 ZINC000827140151 1320429479 /nfs/dbraw/zinc/42/94/79/1320429479.db2.gz IJZAATKSLBWYNJ-IEBWSBKVSA-N 1 0 336.435 3.160 20 10 EGCDRO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827277040 1320439747 /nfs/dbraw/zinc/43/97/47/1320439747.db2.gz VXPDVYUOQSDARP-UHFFFAOYSA-N 1 0 331.504 3.286 20 10 EGCDRO CNC(=O)CC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCCCC1 ZINC000827590785 1320461516 /nfs/dbraw/zinc/46/15/16/1320461516.db2.gz DNONTNLSYUIPGZ-UHFFFAOYSA-N 1 0 331.504 3.237 20 10 EGCDRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000837625481 1320656804 /nfs/dbraw/zinc/65/68/04/1320656804.db2.gz CBOKZPQXNBCVQE-UHFFFAOYSA-N 1 0 346.519 3.206 20 10 EGCDRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3ccc4c(c3)CCO4)C2)C1 ZINC000838922082 1320835590 /nfs/dbraw/zinc/83/55/90/1320835590.db2.gz HKNIWMPZNASSBY-UHFFFAOYSA-N 1 0 344.455 3.111 20 10 EGCDRO Cc1ccsc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146479 1320880514 /nfs/dbraw/zinc/88/05/14/1320880514.db2.gz JILAIENALATQLD-UHFFFAOYSA-N 1 0 338.423 3.461 20 10 EGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000839192922 1320891542 /nfs/dbraw/zinc/89/15/42/1320891542.db2.gz MOSFOZZUJYXREC-NSHDSACASA-N 1 0 343.851 3.464 20 10 EGCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000839198450 1320892706 /nfs/dbraw/zinc/89/27/06/1320892706.db2.gz BSGDKWXKTAAXOV-NSHDSACASA-N 1 0 339.407 3.144 20 10 EGCDRO CCC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000839200540 1320893871 /nfs/dbraw/zinc/89/38/71/1320893871.db2.gz UVKQEIUWBQUOQU-LJQANCHMSA-N 1 0 331.504 3.269 20 10 EGCDRO CC[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(C)cc1O ZINC000840796538 1321150152 /nfs/dbraw/zinc/15/01/52/1321150152.db2.gz GCGLXHKFWMZQRL-WMZOPIPTSA-N 1 0 349.471 3.157 20 10 EGCDRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840837979 1321160099 /nfs/dbraw/zinc/16/00/99/1321160099.db2.gz XZASWTBUCQCNTK-HUUCEWRRSA-N 1 0 340.895 3.500 20 10 EGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840863010 1321164421 /nfs/dbraw/zinc/16/44/21/1321164421.db2.gz DMKBLDRYOMMLOX-ZBFHGGJFSA-N 1 0 328.412 3.472 20 10 EGCDRO Cc1nc(CN2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)cs1 ZINC000840910942 1321175815 /nfs/dbraw/zinc/17/58/15/1321175815.db2.gz YANXFRLCYMAQSW-UHFFFAOYSA-N 1 0 344.528 3.144 20 10 EGCDRO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840937448 1321180753 /nfs/dbraw/zinc/18/07/53/1321180753.db2.gz TUGXJDTYNLVJAI-UHFFFAOYSA-N 1 0 325.456 3.406 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000840937012 1321181024 /nfs/dbraw/zinc/18/10/24/1321181024.db2.gz QSHXJSHEWCJFLR-HXUWFJFHSA-N 1 0 328.431 3.294 20 10 EGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840943716 1321182865 /nfs/dbraw/zinc/18/28/65/1321182865.db2.gz JIYHOQGTQDHPEP-OAQYLSRUSA-N 1 0 341.499 3.462 20 10 EGCDRO CCOC(=O)NC1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840942201 1321183121 /nfs/dbraw/zinc/18/31/21/1321183121.db2.gz VMDLCRPYGMBTDE-UHFFFAOYSA-N 1 0 333.476 3.208 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000840948055 1321184055 /nfs/dbraw/zinc/18/40/55/1321184055.db2.gz KPTHULNVSUMSDY-HOCLYGCPSA-N 1 0 330.394 3.054 20 10 EGCDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C)O1 ZINC000840962849 1321188256 /nfs/dbraw/zinc/18/82/56/1321188256.db2.gz GGMIYVCXNHCXLP-HLLBOEOZSA-N 1 0 347.459 3.488 20 10 EGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1O ZINC000840964274 1321188358 /nfs/dbraw/zinc/18/83/58/1321188358.db2.gz VWMWUNPAUSCHQQ-ZDUSSCGKSA-N 1 0 339.794 3.059 20 10 EGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1O ZINC000840978978 1321193158 /nfs/dbraw/zinc/19/31/58/1321193158.db2.gz QTCCCVLOASRXIO-NEPJUHHUSA-N 1 0 328.250 3.056 20 10 EGCDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000841004302 1321198044 /nfs/dbraw/zinc/19/80/44/1321198044.db2.gz FOHBRTUXVSKGOY-QGZVFWFLSA-N 1 0 339.399 3.293 20 10 EGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(F)cc3cccnc32)cc1 ZINC000841041725 1321207572 /nfs/dbraw/zinc/20/75/72/1321207572.db2.gz AXNPJVKRPKHLJV-IBGZPJMESA-N 1 0 338.430 3.230 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000841040851 1321207755 /nfs/dbraw/zinc/20/77/55/1321207755.db2.gz APFWFKCRZKRJEL-MRXNPFEDSA-N 1 0 348.834 3.104 20 10 EGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc3cc(F)ccc3o2)cc1 ZINC000841044710 1321208722 /nfs/dbraw/zinc/20/87/22/1321208722.db2.gz XRTLJGDQAQOARF-GOSISDBHSA-N 1 0 327.403 3.428 20 10 EGCDRO Cc1nn(C(C)(C)C)c(C)c1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046173 1321209088 /nfs/dbraw/zinc/20/90/88/1321209088.db2.gz XJXUYUIOGSKXEH-LJQANCHMSA-N 1 0 343.519 3.111 20 10 EGCDRO CC1(C)C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2cc(N)ccc2O1 ZINC000841083219 1321215931 /nfs/dbraw/zinc/21/59/31/1321215931.db2.gz PYKHBZZCIFZFQL-CQSZACIVSA-N 1 0 342.395 3.095 20 10 EGCDRO CC(C)(C)c1cc(C[NH2+]C[C@@H]2CNCCO2)c(O)c(C(C)(C)C)c1 ZINC000841101646 1321218654 /nfs/dbraw/zinc/21/86/54/1321218654.db2.gz XZXBHIZEKPJECQ-INIZCTEOSA-N 1 0 334.504 3.065 20 10 EGCDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744630 1321305663 /nfs/dbraw/zinc/30/56/63/1321305663.db2.gz JJBXMLVRDKRKRU-CYBMUJFWSA-N 1 0 332.831 3.435 20 10 EGCDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841746304 1321305691 /nfs/dbraw/zinc/30/56/91/1321305691.db2.gz XWIXXYVDMYZNEX-GFCCVEGCSA-N 1 0 339.844 3.170 20 10 EGCDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000842915221 1321448327 /nfs/dbraw/zinc/44/83/27/1321448327.db2.gz IPEFLXKOYJPKTE-ZMSDIMECSA-N 1 0 338.467 3.110 20 10 EGCDRO CC[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843050180 1321461440 /nfs/dbraw/zinc/46/14/40/1321461440.db2.gz ALQCOKMGPWRAMK-SJORKVTESA-N 1 0 346.475 3.144 20 10 EGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cn2cc(Cl)ccc2n1 ZINC000843057913 1321464228 /nfs/dbraw/zinc/46/42/28/1321464228.db2.gz YEDYEUGEGUJFMA-UHFFFAOYSA-N 1 0 326.831 3.399 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843120211 1321473602 /nfs/dbraw/zinc/47/36/02/1321473602.db2.gz YUEPWIYZUOZWCG-UHFFFAOYSA-N 1 0 339.277 3.039 20 10 EGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)Cc2ccccc2)cc1 ZINC000843299269 1321499980 /nfs/dbraw/zinc/49/99/80/1321499980.db2.gz UWOKDEDDTIPCBA-IBGZPJMESA-N 1 0 339.483 3.138 20 10 EGCDRO CC(C)Cn1nccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000843403272 1321512903 /nfs/dbraw/zinc/51/29/03/1321512903.db2.gz CMNIMXSMFCLGTO-UHFFFAOYSA-N 1 0 330.476 3.116 20 10 EGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC000843413406 1321513591 /nfs/dbraw/zinc/51/35/91/1321513591.db2.gz HPVIAHJXKJUDMK-CYBMUJFWSA-N 1 0 344.249 3.163 20 10 EGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c1O ZINC000843421337 1321515528 /nfs/dbraw/zinc/51/55/28/1321515528.db2.gz BTDMISTUSCATSS-AWEZNQCLSA-N 1 0 325.412 3.081 20 10 EGCDRO Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000843455145 1321519984 /nfs/dbraw/zinc/51/99/84/1321519984.db2.gz JETYEFKRHZAQKO-UKRRQHHQSA-N 1 0 329.419 3.043 20 10 EGCDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000844205110 1321578533 /nfs/dbraw/zinc/57/85/33/1321578533.db2.gz XSQIPOJMPUAJBQ-KRWDZBQOSA-N 1 0 343.515 3.314 20 10 EGCDRO CCn1cc(C[N@H+](Cc2cc(OC)c(OC)cc2O)C(C)C)cn1 ZINC000844738314 1321641782 /nfs/dbraw/zinc/64/17/82/1321641782.db2.gz XFPZOWJNPVIWCY-UHFFFAOYSA-N 1 0 333.432 3.036 20 10 EGCDRO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+]1CCCC[C@@H]1C ZINC000844879613 1321653617 /nfs/dbraw/zinc/65/36/17/1321653617.db2.gz IXACURLAYNMEKL-QWHCGFSZSA-N 1 0 339.867 3.108 20 10 EGCDRO COc1ccc(O)c(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)c1 ZINC000845937866 1321755690 /nfs/dbraw/zinc/75/56/90/1321755690.db2.gz PRZIDCSDOLQOKF-UHFFFAOYSA-N 1 0 337.423 3.493 20 10 EGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000845988772 1321761273 /nfs/dbraw/zinc/76/12/73/1321761273.db2.gz BAWSBOOYZQNFKR-KBPBESRZSA-N 1 0 333.453 3.250 20 10 EGCDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846151473 1321772097 /nfs/dbraw/zinc/77/20/97/1321772097.db2.gz YZIGQMFAJXVEBM-SUMWQHHRSA-N 1 0 331.412 3.184 20 10 EGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1O ZINC000846157332 1321772389 /nfs/dbraw/zinc/77/23/89/1321772389.db2.gz KHCZLLVAQOXPED-NYDIPFLSSA-N 1 0 325.499 3.431 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)c1O ZINC000846156700 1321772670 /nfs/dbraw/zinc/77/26/70/1321772670.db2.gz OFOLSVUVJJCLKU-CYBMUJFWSA-N 1 0 339.395 3.344 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1O ZINC000846165487 1321773225 /nfs/dbraw/zinc/77/32/25/1321773225.db2.gz NWXKIEYEEKTRBY-CYBMUJFWSA-N 1 0 342.395 3.208 20 10 EGCDRO COC(=O)c1cnc([C@H](C)N[C@@H](C)c2cccc(OC)c2O)s1 ZINC000846171365 1321773852 /nfs/dbraw/zinc/77/38/52/1321773852.db2.gz FZAKGHBNZAUGDJ-UWVGGRQHSA-N 1 0 336.413 3.056 20 10 EGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(N2CCOCC2)cc1Cl ZINC000846187878 1321775038 /nfs/dbraw/zinc/77/50/38/1321775038.db2.gz BXTLJJDLOGQABJ-FOZNTRSISA-N 1 0 336.863 3.147 20 10 EGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000846212497 1321776953 /nfs/dbraw/zinc/77/69/53/1321776953.db2.gz FARVMBXUQLSVQL-UHFFFAOYSA-N 1 0 346.519 3.062 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1O ZINC000848894473 1322032791 /nfs/dbraw/zinc/03/27/91/1322032791.db2.gz LZBRYVXKMCYLNS-UHFFFAOYSA-N 1 0 326.440 3.081 20 10 EGCDRO CCc1cccc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c1O ZINC000848893503 1322032797 /nfs/dbraw/zinc/03/27/97/1322032797.db2.gz FINDCHGAROZIQM-UHFFFAOYSA-N 1 0 338.451 3.367 20 10 EGCDRO COC(=O)/C=C\c1ccc(C[NH2+]CCCSc2nccs2)o1 ZINC000848896980 1322036300 /nfs/dbraw/zinc/03/63/00/1322036300.db2.gz CJIJBSIUFZQHAN-WAYWQWQTSA-N 1 0 338.454 3.194 20 10 EGCDRO Cc1cnc(OC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)nc1 ZINC000848925468 1322046954 /nfs/dbraw/zinc/04/69/54/1322046954.db2.gz WDHYNMLKSUCUTO-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO COc1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1C ZINC000920183351 1322148910 /nfs/dbraw/zinc/14/89/10/1322148910.db2.gz KWKRCOGGDBRICS-GOSISDBHSA-N 1 0 326.440 3.313 20 10 EGCDRO COc1cc(C[NH2+]Cc2cccnc2OC)c(O)c(C(C)(C)C)c1 ZINC000850025821 1322183632 /nfs/dbraw/zinc/18/36/32/1322183632.db2.gz JCMJHKRCKXUVIJ-UHFFFAOYSA-N 1 0 330.428 3.392 20 10 EGCDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850096919 1322192506 /nfs/dbraw/zinc/19/25/06/1322192506.db2.gz RUSPXDZKYBCBKY-STQMWFEESA-N 1 0 336.476 3.091 20 10 EGCDRO COc1cc(C[NH2+][C@@H](CO)CC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850225409 1322209858 /nfs/dbraw/zinc/20/98/58/1322209858.db2.gz CVQRJRCDYIITSR-LLVKDONJSA-N 1 0 335.366 3.101 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1F ZINC000850354957 1322232174 /nfs/dbraw/zinc/23/21/74/1322232174.db2.gz DWIKXLHIZIWPDV-CKNGIIGNSA-N 1 0 340.508 3.451 20 10 EGCDRO Oc1cc2c(cc1C[NH2+]Cc1cc(F)ccc1OC(F)F)OCO2 ZINC000850408214 1322240115 /nfs/dbraw/zinc/24/01/15/1322240115.db2.gz CZTVAVPZPCZQMH-UHFFFAOYSA-N 1 0 341.285 3.151 20 10 EGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000850418294 1322243835 /nfs/dbraw/zinc/24/38/35/1322243835.db2.gz DGIQQDAJSHVUQD-MRXNPFEDSA-N 1 0 341.329 3.031 20 10 EGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c2c1c(F)ccc2O ZINC000850500516 1322257411 /nfs/dbraw/zinc/25/74/11/1322257411.db2.gz FCDNEHZWHYQKNM-IPCZXVQQSA-N 1 0 325.449 3.359 20 10 EGCDRO COC(=O)N(C)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000850548364 1322264153 /nfs/dbraw/zinc/26/41/53/1322264153.db2.gz PFJCZTICPOXKMA-SFHVURJKSA-N 1 0 342.439 3.354 20 10 EGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2O ZINC000850558386 1322267741 /nfs/dbraw/zinc/26/77/41/1322267741.db2.gz RIEJDALDTCBRAZ-YRGRVCCFSA-N 1 0 334.435 3.316 20 10 EGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000850568361 1322269276 /nfs/dbraw/zinc/26/92/76/1322269276.db2.gz WFCOYDUTGJHJAB-WOJBJXKFSA-N 1 0 344.499 3.085 20 10 EGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000850567584 1322269621 /nfs/dbraw/zinc/26/96/21/1322269621.db2.gz GTFXVTJXIKYBDU-MRXNPFEDSA-N 1 0 332.488 3.085 20 10 EGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000850578021 1322271780 /nfs/dbraw/zinc/27/17/80/1322271780.db2.gz FTFPMSJMHBNSKA-CHWSQXEVSA-N 1 0 338.448 3.307 20 10 EGCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(OC)c1OC ZINC000921557101 1322351303 /nfs/dbraw/zinc/35/13/03/1322351303.db2.gz TWWPEIGRJMADBE-UHFFFAOYSA-N 1 0 343.423 3.327 20 10 EGCDRO CN(C)C(=O)C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921592736 1322359909 /nfs/dbraw/zinc/35/99/09/1322359909.db2.gz KAUISFKPAFVMOR-IBGZPJMESA-N 1 0 338.451 3.321 20 10 EGCDRO c1cc2c(cc1C[NH2+]CC1(N3CCCCC3)CCOCC1)CCCO2 ZINC000921728338 1322386231 /nfs/dbraw/zinc/38/62/31/1322386231.db2.gz JSDZXSJNVAUTTC-UHFFFAOYSA-N 1 0 344.499 3.136 20 10 EGCDRO Oc1cccc(Br)c1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000922230319 1322483556 /nfs/dbraw/zinc/48/35/56/1322483556.db2.gz CRFQNVNNIWTIRY-OAHLLOKOSA-N 1 0 344.249 3.178 20 10 EGCDRO O[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)COCc1ccccc1 ZINC000922300442 1322496083 /nfs/dbraw/zinc/49/60/83/1322496083.db2.gz YVBSTXOHUVDOLH-HXUWFJFHSA-N 1 0 341.451 3.069 20 10 EGCDRO CCOc1cccc(C[NH2+]CCn2nc(C(F)(F)F)cc2C)c1O ZINC000922430427 1322528046 /nfs/dbraw/zinc/52/80/46/1322528046.db2.gz SETMGRHVBZLYRV-UHFFFAOYSA-N 1 0 343.349 3.104 20 10 EGCDRO Cn1nc(C[NH2+]Cc2cc(Br)ccc2O)cc1C1CC1 ZINC000922953485 1322659281 /nfs/dbraw/zinc/65/92/81/1322659281.db2.gz AXPLUZSIVFOBSW-UHFFFAOYSA-N 1 0 336.233 3.055 20 10 EGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cn(C(C)C)nn3)CC2)cc1 ZINC000924905330 1323207388 /nfs/dbraw/zinc/20/73/88/1323207388.db2.gz FRFNHMRJIHBUNW-OAHLLOKOSA-N 1 0 343.475 3.187 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]23)cc1C ZINC001026177353 1324644422 /nfs/dbraw/zinc/64/44/22/1324644422.db2.gz BVYFEJGTYWOZQL-GUDVDZBRSA-N 1 0 344.499 3.376 20 10 EGCDRO C/C=C(\C)C(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)[C@H]2C1 ZINC001026235537 1324679906 /nfs/dbraw/zinc/67/99/06/1324679906.db2.gz RRSIQMCFRSNLTA-LKCGLRGTSA-N 1 0 342.483 3.296 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(C)CC=CC3)C2)cc1C ZINC001027040548 1325175370 /nfs/dbraw/zinc/17/53/70/1325175370.db2.gz FQUDKLFNKBSNDZ-SFHVURJKSA-N 1 0 342.483 3.298 20 10 EGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCO[C@H]1CCOC1 ZINC000927081286 1327850276 /nfs/dbraw/zinc/85/02/76/1327850276.db2.gz OBYFXUNCVIXSGI-AZUAARDMSA-N 1 0 341.451 3.461 20 10 EGCDRO CC[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000927084858 1327853916 /nfs/dbraw/zinc/85/39/16/1327853916.db2.gz WOADZEZIZILNKV-GXTWGEPZSA-N 1 0 333.350 3.257 20 10 EGCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862249538 1329471309 /nfs/dbraw/zinc/47/13/09/1329471309.db2.gz SULSDGXMIQWYIY-CYBMUJFWSA-N 1 0 341.293 3.318 20 10 EGCDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862367989 1329478308 /nfs/dbraw/zinc/47/83/08/1329478308.db2.gz AREPNFQZWKPJJK-HNNXBMFYSA-N 1 0 328.250 3.282 20 10 EGCDRO C[N@H+](Cc1c(O)cccc1Br)C1CCC(CO)CC1 ZINC000862369028 1329478966 /nfs/dbraw/zinc/47/89/66/1329478966.db2.gz RWOJTAYXVDJJOQ-UHFFFAOYSA-N 1 0 328.250 3.138 20 10 EGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000862484735 1329490561 /nfs/dbraw/zinc/49/05/61/1329490561.db2.gz AIANTXKYTXQHFL-KBPBESRZSA-N 1 0 335.444 3.201 20 10 EGCDRO Cc1cc(CNC(=O)[C@@H]2CCn3cncc3C2)c(C)n1-c1ccccc1 ZINC000863165577 1329531759 /nfs/dbraw/zinc/53/17/59/1329531759.db2.gz GEUXVVKWKPYWKW-QGZVFWFLSA-N 1 0 348.450 3.169 20 10 EGCDRO CCN(CC)c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646938 1329570151 /nfs/dbraw/zinc/57/01/51/1329570151.db2.gz SDEAGKIADIXDAH-RDJZCZTQSA-N 1 0 343.437 3.492 20 10 EGCDRO CN(Cc1ccccc1O)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000934705187 1330001536 /nfs/dbraw/zinc/00/15/36/1330001536.db2.gz IUGSTAFHGZAPBD-UHFFFAOYSA-N 1 0 328.412 3.243 20 10 EGCDRO COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000866240350 1330083840 /nfs/dbraw/zinc/08/38/40/1330083840.db2.gz CFZUBXIHGJEDRL-OAQYLSRUSA-N 1 0 338.451 3.309 20 10 EGCDRO Fc1cc(C[NH2+][C@H]2CCCc3ncccc32)ccc1N1CCOCC1 ZINC000866240202 1330083848 /nfs/dbraw/zinc/08/38/48/1330083848.db2.gz ZIGJRZWCAWAWDV-IBGZPJMESA-N 1 0 341.430 3.225 20 10 EGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205651410 1370828953 /nfs/dbraw/zinc/82/89/53/1370828953.db2.gz DXYPFTFSDMVPPM-OLZOCXBDSA-N 1 0 341.293 3.270 20 10 EGCDRO CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009675614 1337058389 /nfs/dbraw/zinc/05/83/89/1337058389.db2.gz SELLAVHJWYIVCB-INIZCTEOSA-N 1 0 343.431 3.009 20 10 EGCDRO CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016380039 1338581907 /nfs/dbraw/zinc/58/19/07/1338581907.db2.gz CCSALWUWXILLHY-HNNXBMFYSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cscc3C)C2)cc1C ZINC001018683612 1339700931 /nfs/dbraw/zinc/70/09/31/1339700931.db2.gz FTGASXOYWYFNNZ-INIZCTEOSA-N 1 0 344.480 3.378 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@]2(C)C=CCC2)cc1C ZINC001035016524 1342877705 /nfs/dbraw/zinc/87/77/05/1342877705.db2.gz BNUVYFHCQVNHOP-NQIIRXRSSA-N 1 0 342.483 3.441 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C=C(C)C)C[C@@H]2C)cc1C ZINC001035893907 1343254064 /nfs/dbraw/zinc/25/40/64/1343254064.db2.gz VWNKEHHXDOWQNB-FUHWJXTLSA-N 1 0 330.472 3.296 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccoc3)C[C@H]2C)cc1C ZINC001035917368 1343271269 /nfs/dbraw/zinc/27/12/69/1343271269.db2.gz YWBKXINWTCSKSW-CRAIPNDOSA-N 1 0 342.439 3.237 20 10 EGCDRO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C(=O)C2CC2)cc1C ZINC001039253882 1344984852 /nfs/dbraw/zinc/98/48/52/1344984852.db2.gz HMSMQYWNVZUKBZ-YQQQUEKLSA-N 1 0 342.483 3.415 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccco3)[C@H](C)C2)cc1C ZINC001044431842 1346328739 /nfs/dbraw/zinc/32/87/39/1346328739.db2.gz OQBXFNUAKBLIKI-NVXWUHKLSA-N 1 0 342.439 3.380 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC=CC3)[C@@H](C)C2)cc1C ZINC001044522811 1346355604 /nfs/dbraw/zinc/35/56/04/1346355604.db2.gz JPVCHNBVNUEPRF-LPHOPBHVSA-N 1 0 342.483 3.439 20 10 EGCDRO CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862497 1347135427 /nfs/dbraw/zinc/13/54/27/1347135427.db2.gz LNMKZBSZQPBMMD-SFHVURJKSA-N 1 0 345.447 3.089 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C3(C)CC3)C2)cc1C ZINC001047850667 1347388133 /nfs/dbraw/zinc/38/81/33/1347388133.db2.gz ATVNEFBTGHEIHO-WBVHZDCISA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C3(C)CC3)C2)cc1C ZINC001047850662 1347388272 /nfs/dbraw/zinc/38/82/72/1347388272.db2.gz ATVNEFBTGHEIHO-DOTOQJQBSA-N 1 0 330.472 3.130 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C=C(C)C)C[C@H]2C)cc1C ZINC001048125417 1347475540 /nfs/dbraw/zinc/47/55/40/1347475540.db2.gz RUKZPXSGWQQVMT-AEFFLSMTSA-N 1 0 330.472 3.154 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2C)cc1C ZINC001048191583 1347489143 /nfs/dbraw/zinc/48/91/43/1347489143.db2.gz FPVHVJCFYSJSEH-VQIMIIECSA-N 1 0 342.483 3.154 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C)o3)C[C@@H]2C)cc1C ZINC001054363497 1349335776 /nfs/dbraw/zinc/33/57/76/1349335776.db2.gz PYRUSYFRWLOFAH-WMLDXEAASA-N 1 0 342.439 3.155 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)CC3CCC3)C[C@@H]2C)cc1C ZINC001054521501 1349382137 /nfs/dbraw/zinc/38/21/37/1349382137.db2.gz KAGSCQOLJCHQDV-YJBOKZPZSA-N 1 0 330.472 3.130 20 10 EGCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001183561023 1387319107 /nfs/dbraw/zinc/31/91/07/1387319107.db2.gz HMYCYWGWONZPNC-GOSISDBHSA-N 1 0 342.483 3.377 20 10 EGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[C@H](F)C3)C2)cc1C ZINC001086459715 1359104166 /nfs/dbraw/zinc/10/41/66/1359104166.db2.gz VYDQOOSCGQMFDJ-ZJPYXAASSA-N 1 0 348.462 3.126 20 10 EGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(C)(C)F)C3)cc1C ZINC001094833182 1361920235 /nfs/dbraw/zinc/92/02/35/1361920235.db2.gz CQGGPEUFJDMRKM-BBWFWOEESA-N 1 0 348.462 3.221 20 10 EGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1F ZINC001324270910 1387576812 /nfs/dbraw/zinc/57/68/12/1387576812.db2.gz YZELXQPLJLOIMD-UHFFFAOYSA-N 1 0 343.437 3.491 20 10 EGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC001324964367 1387857485 /nfs/dbraw/zinc/85/74/85/1387857485.db2.gz GQRXTRDCSSTFOW-ZMYBRWDISA-N 1 0 327.476 3.172 20 10 EGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(F)(F)F ZINC001325242648 1387920950 /nfs/dbraw/zinc/92/09/50/1387920950.db2.gz SOHSZBOQAMYPAZ-ZDUSSCGKSA-N 1 0 347.400 3.256 20 10 EGCDRO C[C@@H]1CCc2nc(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)sc2C1 ZINC001325319529 1387932923 /nfs/dbraw/zinc/93/29/23/1387932923.db2.gz LGSKPNCTOQATPL-CJNGLKHVSA-N 1 0 344.528 3.124 20 10 EGCDRO CC/C=C(\C)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199586702 1369241705 /nfs/dbraw/zinc/24/17/05/1369241705.db2.gz ZYYISKSFNGUZQE-GIDUJCDVSA-N 1 0 330.472 3.441 20 10 EGCDRO FC(F)(F)Oc1ccc(N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC001202611649 1369823850 /nfs/dbraw/zinc/82/38/50/1369823850.db2.gz YDSPQEGIKXHKEZ-UHFFFAOYSA-N 1 0 344.377 3.134 20 10 EGCDRO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccccc3O)C2)CC1 ZINC001203550126 1370166063 /nfs/dbraw/zinc/16/60/63/1370166063.db2.gz IPHIIUDVUULCSC-UHFFFAOYSA-N 1 0 332.444 3.225 20 10 EGCDRO Oc1ccccc1C[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001203552253 1370166664 /nfs/dbraw/zinc/16/66/64/1370166664.db2.gz GLNSILCGNZEKPS-UHFFFAOYSA-N 1 0 338.455 3.065 20 10 EGCDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c1O ZINC001203595796 1370181865 /nfs/dbraw/zinc/18/18/65/1370181865.db2.gz NGQXQIMMNBXPQZ-AWEZNQCLSA-N 1 0 335.350 3.332 20 10 EGCDRO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC001203599553 1370183185 /nfs/dbraw/zinc/18/31/85/1370183185.db2.gz IIXBHXNHCMQFTC-OAHLLOKOSA-N 1 0 343.423 3.355 20 10 EGCDRO CCOc1cccc(C[N@@H+]2CCCN(c3ncccc3C)CC2)c1O ZINC001203609461 1370186952 /nfs/dbraw/zinc/18/69/52/1370186952.db2.gz UIPJYBZNQQZGQP-UHFFFAOYSA-N 1 0 341.455 3.207 20 10 EGCDRO COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c(O)c1 ZINC001203623155 1370191084 /nfs/dbraw/zinc/19/10/84/1370191084.db2.gz KLTAUKICGVHDJR-QWFCFKBJSA-N 1 0 349.471 3.195 20 10 EGCDRO COc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c(O)c1 ZINC001203627768 1370192174 /nfs/dbraw/zinc/19/21/74/1370192174.db2.gz OBVKYKLGVZGQNG-UHFFFAOYSA-N 1 0 346.858 3.372 20 10 EGCDRO COc1ccc(C[NH+]2CCC3(CC[C@H](COC(C)=O)C3)CC2)c(O)c1 ZINC001203634513 1370195160 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O=C1C=CC=CC1=NNc1ccccc1OC[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218084030 1373556929 /nfs/dbraw/zinc/55/69/29/1373556929.db2.gz HRRXHXPRAZPTNZ-SLAOAQPMSA-N 1 0 339.395 3.421 20 10 EGCDRO COc1cccc2c1[C@H](Oc1ccc(N3CC[NH2+]CC3)cc1)CCO2 ZINC001218303157 1373591880 /nfs/dbraw/zinc/59/18/80/1373591880.db2.gz MTNVDTSMNXWGIB-LJQANCHMSA-N 1 0 340.423 3.007 20 10 EGCDRO COc1ccc([C@H](C)Oc2ccc(N3CC[NH2+]CC3)cc2)cc1OC ZINC001218341604 1373600783 /nfs/dbraw/zinc/60/07/83/1373600783.db2.gz NXFPILHMCDQPQX-HNNXBMFYSA-N 1 0 342.439 3.253 20 10 EGCDRO CCCC(=O)c1cc(O)c(O)cc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218488139 1373624211 /nfs/dbraw/zinc/62/42/11/1373624211.db2.gz JGXCZNZYAUYJGA-IBGZPJMESA-N 1 0 327.380 3.304 20 10 EGCDRO Nc1ccc(N(C(=O)C2([NH3+])CC2)c2ccc3ccccc3c2N)cc1 ZINC001219471690 1373711254 /nfs/dbraw/zinc/71/12/54/1373711254.db2.gz OQAAAQRFDWHNIE-UHFFFAOYSA-N 1 0 332.407 3.160 20 10 EGCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc1C ZINC001131746546 1373783162 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BGBFBHNCIQGGNI-UHFFFAOYSA-N 1 0 330.428 3.195 20 10 EGCDRO Cc1cc(O)c(C[N@H+](C)CCNC(=O)OC(C)(C)C)cc1Cl ZINC001231868994 1376330731 /nfs/dbraw/zinc/33/07/31/1376330731.db2.gz LGALQUVRRUPLQF-UHFFFAOYSA-N 1 0 328.840 3.311 20 10 EGCDRO Cc1cc(O[C@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)ncn1 ZINC001231871222 1376333263 /nfs/dbraw/zinc/33/32/63/1376333263.db2.gz GFEXSRZQLJSPKG-HNNXBMFYSA-N 1 0 347.846 3.496 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2=CCCC2)cc1C ZINC001134086202 1376360162 /nfs/dbraw/zinc/36/01/62/1376360162.db2.gz NFJJXQGHRHJTAZ-HOTGVXAUSA-N 1 0 330.472 3.487 20 10 EGCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cc[nH]c2C)cc1C ZINC001134106060 1376371624 /nfs/dbraw/zinc/37/16/24/1376371624.db2.gz ZKUPWDPCWFPLTL-GJZGRUSLSA-N 1 0 343.471 3.327 20 10 EGCDRO C[N@H+](Cc1cc2ncccc2[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001232070354 1376395567 /nfs/dbraw/zinc/39/55/67/1376395567.db2.gz RYCXBLYKCBWFEO-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CCCO1 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/nfs/dbraw/zinc/65/29/51/1376652951.db2.gz HCRHPKRFTJXEPV-UHFFFAOYSA-N 1 0 329.396 3.192 20 10 EGCDRO [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430890 1376872381 /nfs/dbraw/zinc/87/23/81/1376872381.db2.gz YKFKSKHZOLDWTO-STQMWFEESA-N 1 0 326.843 3.396 20 10 EGCDRO CCC1=NC2(CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)C(=O)N1C ZINC001237051357 1376971357 /nfs/dbraw/zinc/97/13/57/1376971357.db2.gz LBEXOBBURIRERH-UHFFFAOYSA-N 1 0 343.471 3.131 20 10 EGCDRO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC[C@]1(C)O ZINC001237053485 1376971830 /nfs/dbraw/zinc/97/18/30/1376971830.db2.gz MPEXSUCHWZLNOJ-LRDDRELGSA-N 1 0 347.377 3.316 20 10 EGCDRO Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237050940 1376971914 /nfs/dbraw/zinc/97/19/14/1376971914.db2.gz FYIYWWPCDRLEDP-QGZVFWFLSA-N 1 0 327.428 3.267 20 10 EGCDRO C[N@H+](Cc1ccccn1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237052055 1376972213 /nfs/dbraw/zinc/97/22/13/1376972213.db2.gz SOFOZOVTCJMLFU-UHFFFAOYSA-N 1 0 326.318 3.360 20 10 EGCDRO CCCO[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237058046 1376973474 /nfs/dbraw/zinc/97/34/74/1376973474.db2.gz CDGPLBYFUPUEFM-LLVKDONJSA-N 1 0 344.249 3.164 20 10 EGCDRO CCOC1CC[NH+](Cc2c(O)cc(OC)cc2Br)CC1 ZINC001237060036 1376974358 /nfs/dbraw/zinc/97/43/58/1376974358.db2.gz QGTHATKVYFXCLK-UHFFFAOYSA-N 1 0 344.249 3.164 20 10 EGCDRO COc1cc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c(O)c(OC)c1 ZINC001237676411 1376982078 /nfs/dbraw/zinc/98/20/78/1376982078.db2.gz NJCBREREXDGSHB-UHFFFAOYSA-N 1 0 347.411 3.059 20 10 EGCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC001249208458 1377072588 /nfs/dbraw/zinc/07/25/88/1377072588.db2.gz ULEPKPXJKSXIJT-INIZCTEOSA-N 1 0 343.398 3.236 20 10 EGCDRO Oc1cc2c(cc1O)CN(Cc1ccc(N3CCCC3)o1)CCC2 ZINC001137070211 1377472707 /nfs/dbraw/zinc/47/27/07/1377472707.db2.gz FDPLYFBMPFGPSO-UHFFFAOYSA-N 1 0 328.412 3.239 20 10 EGCDRO COc1ccc(N2CC[NH+](Cc3ccc4nccnc4c3)CC2)c(C)c1 ZINC001137091062 1377476275 /nfs/dbraw/zinc/47/62/75/1377476275.db2.gz KAOPPFGYIGYCND-UHFFFAOYSA-N 1 0 348.450 3.269 20 10 EGCDRO Oc1cccc(F)c1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001137841848 1377628500 /nfs/dbraw/zinc/62/85/00/1377628500.db2.gz XLSCMNZNGDPBAA-QFBILLFUSA-N 1 0 326.415 3.238 20 10 EGCDRO Oc1cccc(F)c1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001137841847 1377628740 /nfs/dbraw/zinc/62/87/40/1377628740.db2.gz XLSCMNZNGDPBAA-LPHOPBHVSA-N 1 0 326.415 3.238 20 10 EGCDRO COC(=O)N1CCC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137856236 1377631735 /nfs/dbraw/zinc/63/17/35/1377631735.db2.gz VQOLIOVFDCKUGV-UHFFFAOYSA-N 1 0 341.455 3.368 20 10 EGCDRO Cc1cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c(C)n1-c1ccccc1 ZINC001137859417 1377632455 /nfs/dbraw/zinc/63/24/55/1377632455.db2.gz XLSQDLMEVFZYJN-FQEVSTJZSA-N 1 0 339.439 3.169 20 10 EGCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220043 1377690803 /nfs/dbraw/zinc/69/08/03/1377690803.db2.gz XRYBIGNNACTUQW-AEFFLSMTSA-N 1 0 330.472 3.450 20 10 EGCDRO Cc1c(C[NH+]2CCC(N3CCCOC3=O)CC2)c2ccccc2n1C ZINC001138259908 1377694851 /nfs/dbraw/zinc/69/48/51/1377694851.db2.gz QRTRUZNRBHCRJM-UHFFFAOYSA-N 1 0 341.455 3.293 20 10 EGCDRO CC(C)O[C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138339687 1377705347 /nfs/dbraw/zinc/70/53/47/1377705347.db2.gz ITLVFOMNSTWUSI-QGZVFWFLSA-N 1 0 330.472 3.090 20 10 EGCDRO Oc1c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138339632 1377705824 /nfs/dbraw/zinc/70/58/24/1377705824.db2.gz HHADGSFWYZZWDO-HNAYVOBHSA-N 1 0 342.483 3.092 20 10 EGCDRO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCCN4C)C2)o1 ZINC001138359163 1377709519 /nfs/dbraw/zinc/70/95/19/1377709519.db2.gz LRIZSQJDOMNRAC-KRWDZBQOSA-N 1 0 326.444 3.140 20 10 EGCDRO CCCC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499298 1377733579 /nfs/dbraw/zinc/73/35/79/1377733579.db2.gz CBJWAHWAPPHMII-UHFFFAOYSA-N 1 0 345.531 3.220 20 10 EGCDRO COc1cc(CN2CCCCC(F)(F)C2)cc(C[NH+](C)C)c1O ZINC001139253550 1377858734 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Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4c(C)ccc(C)c4O)C[C@H]3O2)n1 ZINC001140181616 1378027019 /nfs/dbraw/zinc/02/70/19/1378027019.db2.gz UIBHNEXHLLAOMA-USXIJHARSA-N 1 0 343.427 3.053 20 10 EGCDRO CC(C)(C)OC(=O)NCC1C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140462980 1378066423 /nfs/dbraw/zinc/06/64/23/1378066423.db2.gz QYECAOVOFNWMDJ-UHFFFAOYSA-N 1 0 326.824 3.002 20 10 EGCDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001140464141 1378066434 /nfs/dbraw/zinc/06/64/34/1378066434.db2.gz DEFXAXLGPHQEGW-UHFFFAOYSA-N 1 0 333.819 3.187 20 10 EGCDRO O=C1c2ccccc2CN1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464267 1378066565 /nfs/dbraw/zinc/06/65/65/1378066565.db2.gz IYAWEEPDPHFVIO-INIZCTEOSA-N 1 0 342.826 3.276 20 10 EGCDRO Cc1cncnc1O[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464284 1378066582 /nfs/dbraw/zinc/06/65/82/1378066582.db2.gz JTDDUYLDMJEEQB-HNNXBMFYSA-N 1 0 333.819 3.187 20 10 EGCDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140465939 1378068035 /nfs/dbraw/zinc/06/80/35/1378068035.db2.gz WSFYGXHQKRTQLL-OAHLLOKOSA-N 1 0 339.863 3.311 20 10 EGCDRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1)N1CCCCC1 ZINC001140466263 1378068137 /nfs/dbraw/zinc/06/81/37/1378068137.db2.gz DHRFPGVNTSWDDE-HNNXBMFYSA-N 1 0 336.863 3.270 20 10 EGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)c1 ZINC001140622003 1378100229 /nfs/dbraw/zinc/10/02/29/1378100229.db2.gz UPHPRUOXOCCCRL-UHFFFAOYSA-N 1 0 328.456 3.068 20 10 EGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c1 ZINC001140623608 1378100430 /nfs/dbraw/zinc/10/04/30/1378100430.db2.gz XYVHDZDXRSANJR-WBVHZDCISA-N 1 0 346.471 3.389 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1 ZINC001140624031 1378100434 /nfs/dbraw/zinc/10/04/34/1378100434.db2.gz CMTVUUMUMVBCNM-GOSISDBHSA-N 1 0 342.414 3.234 20 10 EGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c1 ZINC001140624294 1378100437 /nfs/dbraw/zinc/10/04/37/1378100437.db2.gz PGECESLKLTXFLF-MRXNPFEDSA-N 1 0 342.414 3.234 20 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/nfs/dbraw/zinc/15/95/43/1378159543.db2.gz KIZZNYDUIAWQLQ-INIZCTEOSA-N 1 0 336.451 3.331 20 10 EGCDRO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3Cl)C2)no1 ZINC001140922599 1378181675 /nfs/dbraw/zinc/18/16/75/1378181675.db2.gz VYYMBSFDVMGBSH-CQSZACIVSA-N 1 0 334.851 3.477 20 10 EGCDRO Cc1cc(N2CCN(Cc3ccc(N(C)C)cc3Cl)CC2)cc[nH+]1 ZINC001140926760 1378183617 /nfs/dbraw/zinc/18/36/17/1378183617.db2.gz UIJMSHANTDVSCF-UHFFFAOYSA-N 1 0 344.890 3.432 20 10 EGCDRO Cc1ccc(C[N@@H+]2CCCn3cnc(COC(C)C)c3C2)c(O)c1 ZINC001140949531 1378190712 /nfs/dbraw/zinc/19/07/12/1378190712.db2.gz CYNAARDVVLLCIQ-UHFFFAOYSA-N 1 0 329.444 3.228 20 10 EGCDRO O[C@@]1(CF)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075043 1378233195 /nfs/dbraw/zinc/23/31/95/1378233195.db2.gz XAPVVYDBTJBKJV-HXUWFJFHSA-N 1 0 332.463 3.072 20 10 EGCDRO F[C@@H]1COC2(C1)CC[NH+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141078436 1378233957 /nfs/dbraw/zinc/23/39/57/1378233957.db2.gz VXESRISPHPWUDP-IBGZPJMESA-N 1 0 344.474 3.478 20 10 EGCDRO CCC[N@H+](CCc1ccccn1)Cc1ccc2c(c1)OCCN2C ZINC001141145213 1378248777 /nfs/dbraw/zinc/24/87/77/1378248777.db2.gz RXVMOPIYYMTDRC-UHFFFAOYSA-N 1 0 325.456 3.365 20 10 EGCDRO Oc1ccc(O)c(C[NH+]2CCN(c3nsc4ccccc43)CC2)c1 ZINC001141158104 1378253808 /nfs/dbraw/zinc/25/38/08/1378253808.db2.gz UDDAGCGFTIJLLM-UHFFFAOYSA-N 1 0 341.436 3.030 20 10 EGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccnc2[nH]ccc21 ZINC001142880158 1378502402 /nfs/dbraw/zinc/50/24/02/1378502402.db2.gz CWLKXRJZEJIHIU-UHFFFAOYSA-N 1 0 336.439 3.032 20 10 EGCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c1O ZINC001143116849 1378542959 /nfs/dbraw/zinc/54/29/59/1378542959.db2.gz MJBILBTWAACLRO-OAHLLOKOSA-N 1 0 345.418 3.272 20 10 EGCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2c[nH]cc2C)cc1C ZINC001146386598 1378832948 /nfs/dbraw/zinc/83/29/48/1378832948.db2.gz WFFHJRSSPSRWFZ-CVEARBPZSA-N 1 0 343.471 3.327 20 10 EGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)NCCc2ccccc2)cc1Cl ZINC001327880731 1388613031 /nfs/dbraw/zinc/61/30/31/1388613031.db2.gz JPFMJZWRTHZHIC-CQSZACIVSA-N 1 0 346.858 3.191 20 10 EGCDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)c1cccc2c1CCN2C ZINC001154156772 1380218296 /nfs/dbraw/zinc/21/82/96/1380218296.db2.gz DOCZCZOXXOEGGM-SFHVURJKSA-N 1 0 335.451 3.428 20 10 EGCDRO Cc1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc12 ZINC001156656912 1380605271 /nfs/dbraw/zinc/60/52/71/1380605271.db2.gz BVMRXMCOFOMIIE-UHFFFAOYSA-N 1 0 347.466 3.302 20 10 EGCDRO CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001158949375 1381481608 /nfs/dbraw/zinc/48/16/08/1381481608.db2.gz MLUKUONJBCLIFO-MRXNPFEDSA-N 1 0 345.447 3.186 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC23CC3)cc1C ZINC001160910357 1382230964 /nfs/dbraw/zinc/23/09/64/1382230964.db2.gz BUDAGGISUTUIGF-QGZVFWFLSA-N 1 0 330.472 3.180 20 10 EGCDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc3c(c2)C2(CN3)CCOCC2)C1 ZINC001162847868 1382893590 /nfs/dbraw/zinc/89/35/90/1382893590.db2.gz YYAPJWFXXTUDDS-INIZCTEOSA-N 1 0 335.451 3.182 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[C@H]2C)cc1C ZINC001165412861 1383291088 /nfs/dbraw/zinc/29/10/88/1383291088.db2.gz YSQGUYFREUZXPR-CRAIPNDOSA-N 1 0 332.488 3.426 20 10 EGCDRO CCc1cnc(Cl)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167423069 1383629996 /nfs/dbraw/zinc/62/99/96/1383629996.db2.gz MAEYHAWBKRUGMK-UHFFFAOYSA-N 1 0 345.878 3.056 20 10 EGCDRO C[NH+]1CCN(c2ccc(CNc3cc4[nH]cnc4cc3F)cc2)CC1 ZINC001167437189 1383633165 /nfs/dbraw/zinc/63/31/65/1383633165.db2.gz OMECSODDKQTTII-UHFFFAOYSA-N 1 0 339.418 3.066 20 10 EGCDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3cccc(O)c3O)CCO2)cc1 ZINC001168608069 1383947766 /nfs/dbraw/zinc/94/77/66/1383947766.db2.gz KFZQMJSMHOPPHZ-CRAIPNDOSA-N 1 0 329.396 3.116 20 10 EGCDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cnc2c(c1)C1(CC1)C(=O)N2 ZINC001169690199 1384174263 /nfs/dbraw/zinc/17/42/63/1384174263.db2.gz SYWFQBXLJNVTSQ-INIZCTEOSA-N 1 0 334.423 3.305 20 10 EGCDRO CCOC(=O)c1csc(-c2ccc(N(C)C(C)(C)C[NH3+])cc2)n1 ZINC001170059254 1384226915 /nfs/dbraw/zinc/22/69/15/1384226915.db2.gz RBCGNBWMARNRGH-UHFFFAOYSA-N 1 0 333.457 3.160 20 10 EGCDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)n2cccc2)cc1C ZINC001171610241 1384579090 /nfs/dbraw/zinc/57/90/90/1384579090.db2.gz MJXKDJBNDJGECO-KRWDZBQOSA-N 1 0 343.471 3.052 20 10 EGCDRO CC(C)(C)OC(=O)C1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001171911923 1384679405 /nfs/dbraw/zinc/67/94/05/1384679405.db2.gz CHCFUAMQBZESAT-UHFFFAOYSA-N 1 0 335.444 3.130 20 10 EGCDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001172744650 1384841925 /nfs/dbraw/zinc/84/19/25/1384841925.db2.gz DPBAXJJHWJHNIC-LLVKDONJSA-N 1 0 344.249 3.365 20 10 EGCDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccccc2O)c1F ZINC001173176489 1384931540 /nfs/dbraw/zinc/93/15/40/1384931540.db2.gz JOQDCOKAPADESR-NSHDSACASA-N 1 0 334.347 3.169 20 10 EGCDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001173231540 1384940701 /nfs/dbraw/zinc/94/07/01/1384940701.db2.gz MPUBYDRGBJFNFH-ZDUSSCGKSA-N 1 0 342.395 3.385 20 10 EGCDRO CC[C@H]1CC[C@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173265203 1384946956 /nfs/dbraw/zinc/94/69/56/1384946956.db2.gz QRQRVZQGYSWFAD-OALUTQOASA-N 1 0 345.531 3.376 20 10 EGCDRO CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCc3cccc(O)c3C1)CC2 ZINC001173623407 1384990515 /nfs/dbraw/zinc/99/05/15/1384990515.db2.gz PJNWKSMIMJUXKG-RYZJOYRSSA-N 1 0 329.440 3.262 20 10 EGCDRO Cc1c[nH+]ccc1Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001174539836 1385117890 /nfs/dbraw/zinc/11/78/90/1385117890.db2.gz SMEJKVYCCDYCAJ-UHFFFAOYSA-N 1 0 330.343 3.037 20 10 EGCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Br)CCCC[C@H]1O ZINC001329141985 1388987338 /nfs/dbraw/zinc/98/73/38/1388987338.db2.gz UBYDZPYQALGMNN-HUUCEWRRSA-N 1 0 328.250 3.186 20 10 EGCDRO CCC/C=C/CC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238468 1385879950 /nfs/dbraw/zinc/87/99/50/1385879950.db2.gz XTOUSGBFCSPWIF-GHQUWNBOSA-N 1 0 345.447 3.305 20 10 EGCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)C(C)(F)F)cc1C ZINC001177734414 1386030686 /nfs/dbraw/zinc/03/06/86/1386030686.db2.gz PNOJHDMGDXDCRG-UHFFFAOYSA-N 1 0 342.430 3.425 20 10 EGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319946678 1386409772 /nfs/dbraw/zinc/40/97/72/1386409772.db2.gz CMMOQYNGIMYDLZ-LJQANCHMSA-N 1 0 343.515 3.415 20 10 EGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001319971347 1386428096 /nfs/dbraw/zinc/42/80/96/1386428096.db2.gz UUPCUSRDGVQXCP-QFBILLFUSA-N 1 0 331.504 3.442 20 10 EGCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)COc1ccccc1 ZINC001320119301 1386525209 /nfs/dbraw/zinc/52/52/09/1386525209.db2.gz ZVBISRXWYUHFDI-HLLBOEOZSA-N 1 0 327.424 3.278 20 10 EGCDRO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321084009 1386804201 /nfs/dbraw/zinc/80/42/01/1386804201.db2.gz KZUNCJHENBDVED-UHFFFAOYSA-N 1 0 341.499 3.120 20 10 EGCDRO COC(=O)N1CCC(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001322072056 1387045734 /nfs/dbraw/zinc/04/57/34/1387045734.db2.gz AIEPQHGDPSRCHU-UKRRQHHQSA-N 1 0 332.444 3.317 20 10 EGCDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(N)cc1)[NH+](C)C ZINC001336890378 1389197354 /nfs/dbraw/zinc/19/73/54/1389197354.db2.gz DTUOPDCTHXNCJV-DNVCBOLYSA-N 1 0 340.471 3.068 20 10 EGCDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc(N)cc2)c1 ZINC001338448580 1389686324 /nfs/dbraw/zinc/68/63/24/1389686324.db2.gz PNMWKUPQATZIHP-UHFFFAOYSA-N 1 0 340.471 3.110 20 10 EGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1C ZINC001338751766 1389752070 /nfs/dbraw/zinc/75/20/70/1389752070.db2.gz QPIGELJEFPGZCO-MDZRGWNJSA-N 1 0 333.495 3.492 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c(O)c1OC ZINC001333706909 1390379301 /nfs/dbraw/zinc/37/93/01/1390379301.db2.gz LXHSSBAIANKFMX-HNNXBMFYSA-N 1 0 342.439 3.026 20 10 EGCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001348447484 1391220897 /nfs/dbraw/zinc/22/08/97/1391220897.db2.gz QDKJGHKUUJZJRM-DOTOQJQBSA-N 1 0 341.421 3.246 20 10 EGCDRO COc1cccc(C[N@@H+](Cc2ccc(N)cc2)C[C@H]2CCCO2)c1 ZINC001352787108 1391849064 /nfs/dbraw/zinc/84/90/64/1391849064.db2.gz CQEHJNLBQQFZHZ-HXUWFJFHSA-N 1 0 326.440 3.459 20 10 EGCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC2(C)C)cc1C ZINC001700660426 1414320279 /nfs/dbraw/zinc/32/02/79/1414320279.db2.gz VSDRLUIXHUTXKL-NVXWUHKLSA-N 1 0 332.488 3.424 20 10 EGCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cccs2)cc1C ZINC001753615318 1440449591 /nfs/dbraw/zinc/44/95/91/1440449591.db2.gz RKQJPGKRUFVDJW-CYBMUJFWSA-N 1 0 332.469 3.221 20 10 EGCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2ccccc2)cc1C ZINC001754138746 1440544151 /nfs/dbraw/zinc/54/41/51/1440544151.db2.gz KONWNQWNFZDMLU-SREVYHEPSA-N 1 0 338.451 3.008 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)c3cc(C)cs3)CC2)cc1C ZINC001754513071 1440617897 /nfs/dbraw/zinc/61/78/97/1440617897.db2.gz GIRKNLYEZPYTBA-UHFFFAOYSA-N 1 0 344.480 3.426 20 10 EGCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)C3CC3)CCC2)cc1C ZINC001754979353 1440720857 /nfs/dbraw/zinc/72/08/57/1440720857.db2.gz MXGXXAAIWUDUAI-OAHLLOKOSA-N 1 0 330.472 3.178 20 10 EGCDRO CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755203135 1440781025 /nfs/dbraw/zinc/78/10/25/1440781025.db2.gz RDANVVSFBOAKJB-MRXNPFEDSA-N 1 0 345.447 3.041 20 10 EGCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)C(C)(F)F)C(C)(C)C)cc1C ZINC001755816205 1440923591 /nfs/dbraw/zinc/92/35/91/1440923591.db2.gz GKKRHVHESLQHNW-HNNXBMFYSA-N 1 0 342.430 3.279 20 10 EGCDRO