smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132968930 454382071 /nfs/dbraw/zinc/38/20/71/454382071.db2.gz AVTVETHSZXOEBV-DYESRHJHSA-N 1 3 345.531 3.294 20 10 EGCDHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178409659 454953371 /nfs/dbraw/zinc/95/33/71/454953371.db2.gz CNEYTBJOLNBBDL-KRWDZBQOSA-N 1 3 349.494 3.189 20 10 EGCDHO Cc1ccc(O)c([C@@H](C)NCc2ccncc2OCCC[NH+](C)C)c1 ZINC000290201546 456266259 /nfs/dbraw/zinc/26/62/59/456266259.db2.gz GRXMINUVKUCSQM-MRXNPFEDSA-N 1 3 343.471 3.277 20 10 EGCDHO CN1CCCc2cc(C[NH2+]C3CCN(c4ccncc4)CC3)ccc21 ZINC000298313643 456422968 /nfs/dbraw/zinc/42/29/68/456422968.db2.gz HZWCPADJIFXOKK-UHFFFAOYSA-N 1 3 336.483 3.223 20 10 EGCDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 ZINC000246874090 1296373627 /nfs/dbraw/zinc/37/36/27/1296373627.db2.gz DQATYYPPIGOIAF-LPHOPBHVSA-N 1 3 333.545 3.060 20 10 EGCDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 ZINC000246874090 1296373642 /nfs/dbraw/zinc/37/36/42/1296373642.db2.gz DQATYYPPIGOIAF-LPHOPBHVSA-N 1 3 333.545 3.060 20 10 EGCDHO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000747470589 1298788185 /nfs/dbraw/zinc/78/81/85/1298788185.db2.gz MPXYUXPUFMUQOI-GOSISDBHSA-N 1 3 342.483 3.478 20 10 EGCDHO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000747470589 1298788196 /nfs/dbraw/zinc/78/81/96/1298788196.db2.gz MPXYUXPUFMUQOI-GOSISDBHSA-N 1 3 342.483 3.478 20 10 EGCDHO CCN(C)c1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762650793 1301721793 /nfs/dbraw/zinc/72/17/93/1301721793.db2.gz RWVCGQLPHUOOSD-ZWKOTPCHSA-N 1 3 333.520 3.294 20 10 EGCDHO CCN(C)c1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762650793 1301721798 /nfs/dbraw/zinc/72/17/98/1301721798.db2.gz RWVCGQLPHUOOSD-ZWKOTPCHSA-N 1 3 333.520 3.294 20 10 EGCDHO COc1ccc(N2CCC([NH2+]CC(C)(C)CN3CCCC3)CC2)cc1 ZINC000790748636 1308858733 /nfs/dbraw/zinc/85/87/33/1308858733.db2.gz OZNGAHPKHGYKAY-UHFFFAOYSA-N 1 3 345.531 3.376 20 10 EGCDHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792889691 1309252192 /nfs/dbraw/zinc/25/21/92/1309252192.db2.gz IEDNKUOIQAQIFP-UHFFFAOYSA-N 1 3 331.426 3.449 20 10 EGCDHO CSC1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC[NH+](C)CC1 ZINC000810252147 1317986744 /nfs/dbraw/zinc/98/67/44/1317986744.db2.gz KBXQOGHGCWEFSK-JSGCOSHPSA-N 1 3 338.492 3.497 20 10 EGCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2F)C[C@@H](C)O1 ZINC000817888390 1319451427 /nfs/dbraw/zinc/45/14/27/1319451427.db2.gz LBTPEZJTPSQDCX-FXRXJOCMSA-N 1 3 349.494 3.046 20 10 EGCDHO Cc1cc(N(C)C)ccc1CNCc1ccccc1OCC[NH+](C)C ZINC000840934087 1321180434 /nfs/dbraw/zinc/18/04/34/1321180434.db2.gz XDIHYFLEEIYWNS-UHFFFAOYSA-N 1 3 341.499 3.291 20 10 EGCDHO C[C@H](CC[NH3+])NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841052584 1321210469 /nfs/dbraw/zinc/21/04/69/1321210469.db2.gz VBLMVQMIJUHGJI-CYBMUJFWSA-N 1 3 340.309 3.266 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC001140299599 1378042801 /nfs/dbraw/zinc/04/28/01/1378042801.db2.gz BIIFXXUBIVDRJZ-UHFFFAOYSA-N 1 3 335.495 3.387 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC001140299599 1378042802 /nfs/dbraw/zinc/04/28/02/1378042802.db2.gz BIIFXXUBIVDRJZ-UHFFFAOYSA-N 1 3 335.495 3.387 20 10 EGCDHO CCCOc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1C ZINC000873054958 1297250247 /nfs/dbraw/zinc/25/02/47/1297250247.db2.gz BIARXPRSBJBWGK-IBGZPJMESA-N 1 3 346.515 3.374 20 10 EGCDHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000122698816 1293421728 /nfs/dbraw/zinc/42/17/28/1293421728.db2.gz AFQATQFDLCJTLM-WIYYLYMNSA-N 1 3 347.547 3.288 20 10 EGCDHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000122698816 1293421731 /nfs/dbraw/zinc/42/17/31/1293421731.db2.gz AFQATQFDLCJTLM-WIYYLYMNSA-N 1 3 347.547 3.288 20 10 EGCDHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3N)cc2F)C[C@@H](C)O1 ZINC000817887901 1319451123 /nfs/dbraw/zinc/45/11/23/1319451123.db2.gz GRZXMFBFBQXSEQ-OHDICMOHSA-N 1 3 349.494 3.189 20 10 EGCDHO C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000843058752 1321463959 /nfs/dbraw/zinc/46/39/59/1321463959.db2.gz XJEIGSHDXCBLPN-RDJZCZTQSA-N 1 3 326.440 3.140 20 10 EGCDHO C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000843058752 1321463961 /nfs/dbraw/zinc/46/39/61/1321463961.db2.gz XJEIGSHDXCBLPN-RDJZCZTQSA-N 1 3 326.440 3.140 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1[O-] ZINC000843120178 1321473092 /nfs/dbraw/zinc/47/30/92/1321473092.db2.gz LPINYPCIGRIIIX-UHFFFAOYSA-N 1 3 339.277 3.039 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1[O-] ZINC000843120178 1321473097 /nfs/dbraw/zinc/47/30/97/1321473097.db2.gz LPINYPCIGRIIIX-UHFFFAOYSA-N 1 3 339.277 3.039 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1[O-] ZINC000843129584 1321473880 /nfs/dbraw/zinc/47/38/80/1321473880.db2.gz WJQNNXLYOQMHGQ-UHFFFAOYSA-N 1 3 335.245 3.212 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Br ZINC001205652389 1370829398 /nfs/dbraw/zinc/82/93/98/1370829398.db2.gz PJEZJDZQQAGDAW-AAEUAGOBSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Br ZINC001205652389 1370829403 /nfs/dbraw/zinc/82/94/03/1370829403.db2.gz PJEZJDZQQAGDAW-AAEUAGOBSA-N 1 3 341.293 3.270 20 10 EGCDHO c1c(CN2CCCCC23CC[NH2+]CC3)cc2c3c1CCCN3CCC2 ZINC001235189394 1376856739 /nfs/dbraw/zinc/85/67/39/1376856739.db2.gz KKCDRXLCUKOWQN-UHFFFAOYSA-N 1 3 339.527 3.494 20 10 EGCDHO c1c(C[N@@H+]2CCCCC23CCNCC3)cc2c3c1CCCN3CCC2 ZINC001235189394 1376856742 /nfs/dbraw/zinc/85/67/42/1376856742.db2.gz KKCDRXLCUKOWQN-UHFFFAOYSA-N 1 3 339.527 3.494 20 10 EGCDHO c1c(C[N@H+]2CCCCC23CCNCC3)cc2c3c1CCCN3CCC2 ZINC001235189394 1376856747 /nfs/dbraw/zinc/85/67/47/1376856747.db2.gz KKCDRXLCUKOWQN-UHFFFAOYSA-N 1 3 339.527 3.494 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)C4(F)F)cc2)CC1 ZINC001140302351 1378042868 /nfs/dbraw/zinc/04/28/68/1378042868.db2.gz PBLPEWBYJUCALR-HDICACEKSA-N 1 3 349.469 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C4(F)F)cc2)CC1 ZINC001140302351 1378042869 /nfs/dbraw/zinc/04/28/69/1378042869.db2.gz PBLPEWBYJUCALR-HDICACEKSA-N 1 3 349.469 3.306 20 10 EGCDHO CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000157931307 455250574 /nfs/dbraw/zinc/25/05/74/455250574.db2.gz ROOPKXYTFLOMCN-ICSRJNTNSA-N 1 3 340.467 3.200 20 10 EGCDHO CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000157931307 455250576 /nfs/dbraw/zinc/25/05/76/455250576.db2.gz ROOPKXYTFLOMCN-ICSRJNTNSA-N 1 3 340.467 3.200 20 10 EGCDHO Cc1ccc(O)c(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000092587461 454591125 /nfs/dbraw/zinc/59/11/25/454591125.db2.gz CZXYKBKBCGVREU-IAGOWNOFSA-N 1 3 332.488 3.022 20 10 EGCDHO COc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000272200538 455874948 /nfs/dbraw/zinc/87/49/48/455874948.db2.gz OKRXSQUJFQKNJU-APWZRJJASA-N 1 3 340.467 3.401 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1[O-] ZINC000817980951 1319484298 /nfs/dbraw/zinc/48/42/98/1319484298.db2.gz FWYHDLIBHUJVRD-DMDPSCGWSA-N 1 3 327.266 3.241 20 10 EGCDHO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(C(C)(C)C)CC3)C2)cc1 ZINC000818344416 1319532329 /nfs/dbraw/zinc/53/23/29/1319532329.db2.gz NEMLDNWGHKJJQO-QGZVFWFLSA-N 1 3 345.531 3.374 20 10 EGCDHO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843058501 1321464357 /nfs/dbraw/zinc/46/43/57/1321464357.db2.gz UTFXACYBQLUSQU-NVXWUHKLSA-N 1 3 326.440 3.140 20 10 EGCDHO C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843058501 1321464358 /nfs/dbraw/zinc/46/43/58/1321464358.db2.gz UTFXACYBQLUSQU-NVXWUHKLSA-N 1 3 326.440 3.140 20 10 EGCDHO C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@H]1C[NH3+] ZINC001205636531 1370820490 /nfs/dbraw/zinc/82/04/90/1370820490.db2.gz DGJFORTZDVARRT-RYUDHWBXSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@H]1C[NH3+] ZINC001205636531 1370820495 /nfs/dbraw/zinc/82/04/95/1370820495.db2.gz DGJFORTZDVARRT-RYUDHWBXSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@]1(C[NH3+])CCCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206556479 1371093760 /nfs/dbraw/zinc/09/37/60/1371093760.db2.gz SSKKBQXADRGLQJ-OAQYLSRUSA-N 1 3 327.516 3.336 20 10 EGCDHO CCN1CCN(c2ccc(C[NH+]3CCC(OC(C)C)CC3)cc2)CC1 ZINC001140304470 1378042913 /nfs/dbraw/zinc/04/29/13/1378042913.db2.gz QZXNSDONRDXSQK-UHFFFAOYSA-N 1 3 345.531 3.218 20 10 EGCDHO Cc1cc(O)c(CNCc2ccncc2OCCC[NH+](C)C)cc1C ZINC000288609950 456100775 /nfs/dbraw/zinc/10/07/75/456100775.db2.gz QMMAOVPGPXTNMT-UHFFFAOYSA-N 1 3 343.471 3.024 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1[O-] ZINC000808700800 1317717257 /nfs/dbraw/zinc/71/72/57/1317717257.db2.gz LDOHHNYOXNRSTO-AWEZNQCLSA-N 1 3 339.911 3.031 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000808694576 1317717793 /nfs/dbraw/zinc/71/77/93/1317717793.db2.gz FKGSYGFFSSHDKX-GDBMZVCRSA-N 1 3 340.895 3.242 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000808694576 1317717802 /nfs/dbraw/zinc/71/78/02/1317717802.db2.gz FKGSYGFFSSHDKX-GDBMZVCRSA-N 1 3 340.895 3.242 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]C2CCC([NH+](C)C)CC2)c1[O-] ZINC000817416138 1319355181 /nfs/dbraw/zinc/35/51/81/1319355181.db2.gz KWXJWYOWFVNREP-UHFFFAOYSA-N 1 3 341.293 3.426 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1[O-] ZINC000817947511 1319473842 /nfs/dbraw/zinc/47/38/42/1319473842.db2.gz OUXRISKDMGANCW-QFWMXSHPSA-N 1 3 327.266 3.384 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1[O-] ZINC000817970268 1319481242 /nfs/dbraw/zinc/48/12/42/1319481242.db2.gz QGPBMZQVDDSFEP-DRZSPHRISA-N 1 3 327.266 3.384 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1[O-] ZINC000841071774 1321213137 /nfs/dbraw/zinc/21/31/37/1321213137.db2.gz AVJHEPPPBAGUAJ-CQSZACIVSA-N 1 3 327.266 3.085 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1[O-] ZINC000841082364 1321215333 /nfs/dbraw/zinc/21/53/33/1321215333.db2.gz IPLGNSANGSAVSH-JOCQHMNTSA-N 1 3 341.293 3.318 20 10 EGCDHO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127879 1321474289 /nfs/dbraw/zinc/47/42/89/1321474289.db2.gz UFJVAFUBQRQQFH-KBPBESRZSA-N 1 3 338.879 3.266 20 10 EGCDHO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127879 1321474293 /nfs/dbraw/zinc/47/42/93/1321474293.db2.gz UFJVAFUBQRQQFH-KBPBESRZSA-N 1 3 338.879 3.266 20 10 EGCDHO c1cc(CN2CCC(C[NH2+]Cc3ccc4c(c3)CCO4)CC2)ccn1 ZINC000850362691 1322234256 /nfs/dbraw/zinc/23/42/56/1322234256.db2.gz RWMYOQPYORBYOP-UHFFFAOYSA-N 1 3 337.467 3.018 20 10 EGCDHO [O-]c1cccc(OC(F)(F)F)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742166 1370562233 /nfs/dbraw/zinc/56/22/33/1370562233.db2.gz JDFVPGLXBHDBQU-UHFFFAOYSA-N 1 3 344.377 3.256 20 10 EGCDHO [O-]c1cccc(OC(F)(F)F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742166 1370562236 /nfs/dbraw/zinc/56/22/36/1370562236.db2.gz JDFVPGLXBHDBQU-UHFFFAOYSA-N 1 3 344.377 3.256 20 10 EGCDHO C[C@@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1C[NH3+] ZINC001205317969 1370719872 /nfs/dbraw/zinc/71/98/72/1370719872.db2.gz RBYQLIRXGHIQQA-APWZRJJASA-N 1 3 340.467 3.388 20 10 EGCDHO C[C@H]1CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205652014 1370828920 /nfs/dbraw/zinc/82/89/20/1370828920.db2.gz NGEQZDHIJXEXJP-NWDGAFQWSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205652014 1370828924 /nfs/dbraw/zinc/82/89/24/1370828924.db2.gz NGEQZDHIJXEXJP-NWDGAFQWSA-N 1 3 332.366 3.098 20 10 EGCDHO COc1cc(CN(C)Cc2cccc(C)c2)cc(C[NH+](C)C)c1O ZINC001139253109 1377858746 /nfs/dbraw/zinc/85/87/46/1377858746.db2.gz MBOHLUDHCNOXEG-UHFFFAOYSA-N 1 3 328.456 3.403 20 10 EGCDHO CC[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271510251 455664504 /nfs/dbraw/zinc/66/45/04/455664504.db2.gz NVSGLYPDNPDXCF-PCCBWWKXSA-N 1 3 345.531 3.171 20 10 EGCDHO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](N(C)C)CC3)cc2)CC1 ZINC000296126990 455869505 /nfs/dbraw/zinc/86/95/05/455869505.db2.gz WJCFKBMCDRZJGB-IBGZPJMESA-N 1 3 345.531 3.218 20 10 EGCDHO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](N(C)C)CC3)cc2)CC1 ZINC000296126990 455869509 /nfs/dbraw/zinc/86/95/09/455869509.db2.gz WJCFKBMCDRZJGB-IBGZPJMESA-N 1 3 345.531 3.218 20 10 EGCDHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129295751 1293620728 /nfs/dbraw/zinc/62/07/28/1293620728.db2.gz AXPKSFXZFHTHPQ-YOEHRIQHSA-N 1 3 332.488 3.311 20 10 EGCDHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129295751 1293620731 /nfs/dbraw/zinc/62/07/31/1293620731.db2.gz AXPKSFXZFHTHPQ-YOEHRIQHSA-N 1 3 332.488 3.311 20 10 EGCDHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000766027902 1302371803 /nfs/dbraw/zinc/37/18/03/1302371803.db2.gz AFQATQFDLCJTLM-RXVVDRJESA-N 1 3 347.547 3.288 20 10 EGCDHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000766027902 1302371814 /nfs/dbraw/zinc/37/18/14/1302371814.db2.gz AFQATQFDLCJTLM-RXVVDRJESA-N 1 3 347.547 3.288 20 10 EGCDHO CSC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC[NH+](C)CC1 ZINC000810252149 1317986536 /nfs/dbraw/zinc/98/65/36/1317986536.db2.gz KBXQOGHGCWEFSK-TZMCWYRMSA-N 1 3 338.492 3.497 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1[O-] ZINC000841030011 1321203421 /nfs/dbraw/zinc/20/34/21/1321203421.db2.gz IYYQTQXNNYHGQO-SMDDNHRTSA-N 1 3 327.266 3.070 20 10 EGCDHO Cc1ccc(O)c(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1 ZINC000841072474 1321213634 /nfs/dbraw/zinc/21/36/34/1321213634.db2.gz BTRVKSYVOAPPDH-PKOBYXMFSA-N 1 3 328.431 3.323 20 10 EGCDHO Cc1cc(Br)cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1O ZINC000843059267 1321463712 /nfs/dbraw/zinc/46/37/12/1321463712.db2.gz ITIJWUUBPHLNQM-GLQYFDAESA-N 1 3 339.277 3.022 20 10 EGCDHO C[C@H]1C[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206026276 1370942613 /nfs/dbraw/zinc/94/26/13/1370942613.db2.gz RGEJXZCBXNPROD-RYUDHWBXSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@H]1C[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206026276 1370942620 /nfs/dbraw/zinc/94/26/20/1370942620.db2.gz RGEJXZCBXNPROD-RYUDHWBXSA-N 1 3 332.366 3.098 20 10 EGCDHO NC[C@@]1(F)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206351837 1371029325 /nfs/dbraw/zinc/02/93/25/1371029325.db2.gz JSCNCDRLXUMXQU-FQEVSTJZSA-N 1 3 331.479 3.038 20 10 EGCDHO NC[C@@]1(F)CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206351837 1371029329 /nfs/dbraw/zinc/02/93/29/1371029329.db2.gz JSCNCDRLXUMXQU-FQEVSTJZSA-N 1 3 331.479 3.038 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](CCC4(F)F)C3)cc2)CC1 ZINC001140302342 1378042836 /nfs/dbraw/zinc/04/28/36/1378042836.db2.gz OTLFZDLMHZDOOK-MJGOQNOKSA-N 1 3 349.469 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@H](CCC4(F)F)C3)cc2)CC1 ZINC001140302342 1378042837 /nfs/dbraw/zinc/04/28/37/1378042837.db2.gz OTLFZDLMHZDOOK-MJGOQNOKSA-N 1 3 349.469 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[NH+]3CC(C)(C)OC(C)(C)C3)cc2)CC1 ZINC001140305842 1378042861 /nfs/dbraw/zinc/04/28/61/1378042861.db2.gz ILSXDNOCBSCEBH-UHFFFAOYSA-N 1 3 345.531 3.218 20 10 EGCDHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc2c(cc1[O-])CCCC2 ZINC000185414822 455556257 /nfs/dbraw/zinc/55/62/57/455556257.db2.gz VUIYQIXDEHDMLE-QFBILLFUSA-N 1 3 346.515 3.159 20 10 EGCDHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2c(cc1[O-])CCCC2 ZINC000185414822 455556259 /nfs/dbraw/zinc/55/62/59/455556259.db2.gz VUIYQIXDEHDMLE-QFBILLFUSA-N 1 3 346.515 3.159 20 10 EGCDHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc2c(cc1[O-])CCCC2 ZINC000185414840 455556457 /nfs/dbraw/zinc/55/64/57/455556457.db2.gz VUIYQIXDEHDMLE-VQIMIIECSA-N 1 3 346.515 3.159 20 10 EGCDHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2c(cc1[O-])CCCC2 ZINC000185414840 455556462 /nfs/dbraw/zinc/55/64/62/455556462.db2.gz VUIYQIXDEHDMLE-VQIMIIECSA-N 1 3 346.515 3.159 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1[O-] ZINC000817968220 1319481039 /nfs/dbraw/zinc/48/10/39/1319481039.db2.gz HYEBEMUILXITSL-DGCLKSJQSA-N 1 3 327.266 3.256 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CC2CC[NH2+]CC2)c1[O-] ZINC000817940895 1319469008 /nfs/dbraw/zinc/46/90/08/1319469008.db2.gz LXZMRMYUISXRRG-NSHDSACASA-N 1 3 327.266 3.113 20 10 EGCDHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841027971 1321203585 /nfs/dbraw/zinc/20/35/85/1321203585.db2.gz HYJBEODGGIVLJA-SJORKVTESA-N 1 3 346.475 3.192 20 10 EGCDHO Cc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c([O-])cc1Br ZINC001205604305 1370808107 /nfs/dbraw/zinc/80/81/07/1370808107.db2.gz UTCCIFNXWDVTAR-HNNXBMFYSA-N 1 3 345.256 3.116 20 10 EGCDHO Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c([O-])cc1Br ZINC001205604305 1370808109 /nfs/dbraw/zinc/80/81/09/1370808109.db2.gz UTCCIFNXWDVTAR-HNNXBMFYSA-N 1 3 345.256 3.116 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205652390 1370829359 /nfs/dbraw/zinc/82/93/59/1370829359.db2.gz PJEZJDZQQAGDAW-DGCLKSJQSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205652390 1370829363 /nfs/dbraw/zinc/82/93/63/1370829363.db2.gz PJEZJDZQQAGDAW-DGCLKSJQSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c([O-])cc1Br ZINC001205666063 1370835037 /nfs/dbraw/zinc/83/50/37/1370835037.db2.gz ZGYPKMKKSMADIN-DGCLKSJQSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c([O-])cc1Br ZINC001205666063 1370835042 /nfs/dbraw/zinc/83/50/42/1370835042.db2.gz ZGYPKMKKSMADIN-DGCLKSJQSA-N 1 3 341.293 3.270 20 10 EGCDHO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@H]1C[NH3+] ZINC001206027698 1370942182 /nfs/dbraw/zinc/94/21/82/1370942182.db2.gz WQPORWVVVSQISG-NEPJUHHUSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@H]1C[NH3+] ZINC001206027698 1370942184 /nfs/dbraw/zinc/94/21/84/1370942184.db2.gz WQPORWVVVSQISG-NEPJUHHUSA-N 1 3 332.366 3.098 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H]4CCC[C@H]4C3)cc2)CC1 ZINC001140301841 1378042949 /nfs/dbraw/zinc/04/29/49/1378042949.db2.gz BABDVUGDKQONFS-UXHICEINSA-N 1 3 327.516 3.451 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H]4CCC[C@H]4C3)cc2)CC1 ZINC001140301841 1378042951 /nfs/dbraw/zinc/04/29/51/1378042951.db2.gz BABDVUGDKQONFS-UXHICEINSA-N 1 3 327.516 3.451 20 10 EGCDHO CCN1CCN(c2ccc(C[NH+]3CCC(C(F)F)CC3)cc2)CC1 ZINC001140306043 1378044154 /nfs/dbraw/zinc/04/41/54/1378044154.db2.gz MEECXNNXGYWMMW-UHFFFAOYSA-N 1 3 337.458 3.306 20 10 EGCDHO C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297753767 456286939 /nfs/dbraw/zinc/28/69/39/456286939.db2.gz OLKFYJVHGSMLBE-LJQANCHMSA-N 1 3 340.467 3.500 20 10 EGCDHO C[C@H](C[NH3+])CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841048051 1321209327 /nfs/dbraw/zinc/20/93/27/1321209327.db2.gz GCYHCYWQDJLGCS-CYBMUJFWSA-N 1 3 340.309 3.124 20 10 EGCDHO C[NH+](C)CCCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC001204270021 1370428397 /nfs/dbraw/zinc/42/83/97/1370428397.db2.gz NITLWEODPSUNBB-UHFFFAOYSA-N 1 3 328.456 3.355 20 10 EGCDHO C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC001204270021 1370428398 /nfs/dbraw/zinc/42/83/98/1370428398.db2.gz NITLWEODPSUNBB-UHFFFAOYSA-N 1 3 328.456 3.355 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205591366 1370802819 /nfs/dbraw/zinc/80/28/19/1370802819.db2.gz LBCBMXVWBONJNG-HNNXBMFYSA-N 1 3 345.256 3.116 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205591366 1370802825 /nfs/dbraw/zinc/80/28/25/1370802825.db2.gz LBCBMXVWBONJNG-HNNXBMFYSA-N 1 3 345.256 3.116 20 10 EGCDHO CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)ccc2O1 ZINC001205592781 1370803839 /nfs/dbraw/zinc/80/38/39/1370803839.db2.gz YFVHMWHINIJFAZ-IBGZPJMESA-N 1 3 334.435 3.229 20 10 EGCDHO CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)ccc2O1 ZINC001205592781 1370803845 /nfs/dbraw/zinc/80/38/45/1370803845.db2.gz YFVHMWHINIJFAZ-IBGZPJMESA-N 1 3 334.435 3.229 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206024089 1370941402 /nfs/dbraw/zinc/94/14/02/1370941402.db2.gz HPTIKJNDIDJNLH-QWHCGFSZSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206024089 1370941406 /nfs/dbraw/zinc/94/14/06/1370941406.db2.gz HPTIKJNDIDJNLH-QWHCGFSZSA-N 1 3 341.293 3.270 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H]4CC(F)(F)C[C@@H]4C3)cc2)CC1 ZINC001140302037 1378042985 /nfs/dbraw/zinc/04/29/85/1378042985.db2.gz IEKLIGZXFUROEV-HDICACEKSA-N 1 3 349.469 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CC(F)(F)C[C@@H]4C3)cc2)CC1 ZINC001140302037 1378042989 /nfs/dbraw/zinc/04/29/89/1378042989.db2.gz IEKLIGZXFUROEV-HDICACEKSA-N 1 3 349.469 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+](CC)Cc3ccncc3)cc2)CC1 ZINC001140300392 1378043073 /nfs/dbraw/zinc/04/30/73/1378043073.db2.gz NYMJJSAUPRXYFS-UHFFFAOYSA-N 1 3 338.499 3.246 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+](CC)Cc3ccncc3)cc2)CC1 ZINC001140300392 1378043076 /nfs/dbraw/zinc/04/30/76/1378043076.db2.gz NYMJJSAUPRXYFS-UHFFFAOYSA-N 1 3 338.499 3.246 20 10 EGCDHO COc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1O ZINC000708548865 1298241749 /nfs/dbraw/zinc/24/17/49/1298241749.db2.gz BUKWYEBFERMKPH-VQIMIIECSA-N 1 3 340.467 3.259 20 10 EGCDHO Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c([O-])c1 ZINC000877624999 1299439549 /nfs/dbraw/zinc/43/95/49/1299439549.db2.gz FZOSEWFSYGCWKD-UHFFFAOYSA-N 1 3 325.456 3.097 20 10 EGCDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808701873 1317718498 /nfs/dbraw/zinc/71/84/98/1317718498.db2.gz LCHRMQIWYUJROK-HIFRSBDPSA-N 1 3 328.884 3.361 20 10 EGCDHO c1cc(N2CCSCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817888201 1319451222 /nfs/dbraw/zinc/45/12/22/1319451222.db2.gz JQRAYWYRIIPONB-HSALFYBXSA-N 1 3 345.556 3.250 20 10 EGCDHO CN(C)c1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817896409 1319455711 /nfs/dbraw/zinc/45/57/11/1319455711.db2.gz IODKNLHOQIXRNO-CTNGQTDRSA-N 1 3 337.467 3.098 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1[O-] ZINC000817968219 1319481003 /nfs/dbraw/zinc/48/10/03/1319481003.db2.gz HYEBEMUILXITSL-AAEUAGOBSA-N 1 3 327.266 3.256 20 10 EGCDHO [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841035137 1321205066 /nfs/dbraw/zinc/20/50/66/1321205066.db2.gz FXRXLWPLYNDLNK-INIZCTEOSA-N 1 3 326.440 3.060 20 10 EGCDHO COc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c(C(C)(C)C)c1 ZINC000850315151 1322226535 /nfs/dbraw/zinc/22/65/35/1322226535.db2.gz OZKQXBKOEADQEG-MQVJKMGUSA-N 1 3 332.488 3.413 20 10 EGCDHO COc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c(C(C)(C)C)c1 ZINC000850315151 1322226540 /nfs/dbraw/zinc/22/65/40/1322226540.db2.gz OZKQXBKOEADQEG-MQVJKMGUSA-N 1 3 332.488 3.413 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235943894 1376919757 /nfs/dbraw/zinc/91/97/57/1376919757.db2.gz ZSIFTAQBXFRTFP-SJLPKXTDSA-N 1 3 326.415 3.240 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235943894 1376919763 /nfs/dbraw/zinc/91/97/63/1376919763.db2.gz ZSIFTAQBXFRTFP-SJLPKXTDSA-N 1 3 326.415 3.240 20 10 EGCDHO COc1cc(C[N@H+](C)CCc2cccc(C)c2)cc(C[NH+](C)C)c1[O-] ZINC001139257672 1377858678 /nfs/dbraw/zinc/85/86/78/1377858678.db2.gz FLWNOWDZDZBCBV-UHFFFAOYSA-N 1 3 342.483 3.445 20 10 EGCDHO COc1cc(C[N@@H+](C)CCc2cccc(C)c2)cc(C[NH+](C)C)c1[O-] ZINC001139257672 1377858680 /nfs/dbraw/zinc/85/86/80/1377858680.db2.gz FLWNOWDZDZBCBV-UHFFFAOYSA-N 1 3 342.483 3.445 20 10 EGCDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000178035555 454928786 /nfs/dbraw/zinc/92/87/86/454928786.db2.gz SVSUOENXDZIKRF-KSZLIROESA-N 1 3 333.520 3.293 20 10 EGCDHO CC[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000268845440 455715194 /nfs/dbraw/zinc/71/51/94/455715194.db2.gz DSWKEHKRFDAUEF-FQEVSTJZSA-N 1 3 345.531 3.438 20 10 EGCDHO C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297753763 456287789 /nfs/dbraw/zinc/28/77/89/456287789.db2.gz OLKFYJVHGSMLBE-IBGZPJMESA-N 1 3 340.467 3.500 20 10 EGCDHO Cc1cc(N(C)C)ccc1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000734510075 575504985 /nfs/dbraw/zinc/50/49/85/575504985.db2.gz QEGMXDQOBJOFFN-UHFFFAOYSA-N 1 3 341.499 3.291 20 10 EGCDHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153783492 1294028396 /nfs/dbraw/zinc/02/83/96/1294028396.db2.gz YMLIRZNPAGGNOI-SFHVURJKSA-N 1 3 333.520 3.296 20 10 EGCDHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153783492 1294028401 /nfs/dbraw/zinc/02/84/01/1294028401.db2.gz YMLIRZNPAGGNOI-SFHVURJKSA-N 1 3 333.520 3.296 20 10 EGCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2F)C[C@@H](C)O1 ZINC000817888391 1319450854 /nfs/dbraw/zinc/45/08/54/1319450854.db2.gz LBTPEZJTPSQDCX-IIHSZXCVSA-N 1 3 349.494 3.046 20 10 EGCDHO C[C@@H](CC[NH3+])NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841052585 1321210630 /nfs/dbraw/zinc/21/06/30/1321210630.db2.gz VBLMVQMIJUHGJI-ZDUSSCGKSA-N 1 3 340.309 3.266 20 10 EGCDHO [NH3+]C[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843047761 1321461231 /nfs/dbraw/zinc/46/12/31/1321461231.db2.gz SMZJZJXBNVJDCO-QGZVFWFLSA-N 1 3 326.440 3.142 20 10 EGCDHO CCN([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140182499 1378026935 /nfs/dbraw/zinc/02/69/35/1378026935.db2.gz SRNDXVXMTYPRRO-GOSISDBHSA-N 1 3 332.488 3.084 20 10 EGCDHO Cc1c(O)ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC001140747363 1378128956 /nfs/dbraw/zinc/12/89/56/1378128956.db2.gz AIZQORQBLTUDEV-SFHVURJKSA-N 1 3 340.467 3.360 20 10 EGCDHO Cc1c(O)ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC001140747363 1378128958 /nfs/dbraw/zinc/12/89/58/1378128958.db2.gz AIZQORQBLTUDEV-SFHVURJKSA-N 1 3 340.467 3.360 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1[O-] ZINC000817954813 1319476633 /nfs/dbraw/zinc/47/66/33/1319476633.db2.gz KMHRFANESGEIJU-VXGBXAGGSA-N 1 3 327.266 3.113 20 10 EGCDHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841027970 1321203265 /nfs/dbraw/zinc/20/32/65/1321203265.db2.gz HYJBEODGGIVLJA-IRXDYDNUSA-N 1 3 346.475 3.192 20 10 EGCDHO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127891 1321474563 /nfs/dbraw/zinc/47/45/63/1321474563.db2.gz UFJVAFUBQRQQFH-ZIAGYGMSSA-N 1 3 338.879 3.266 20 10 EGCDHO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127891 1321474565 /nfs/dbraw/zinc/47/45/65/1321474565.db2.gz UFJVAFUBQRQQFH-ZIAGYGMSSA-N 1 3 338.879 3.266 20 10 EGCDHO [O-]c1ccccc1C[N@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000843356700 1321505256 /nfs/dbraw/zinc/50/52/56/1321505256.db2.gz WIQYAJSUKYIKGU-LJQANCHMSA-N 1 3 332.488 3.153 20 10 EGCDHO [O-]c1ccccc1C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000843356700 1321505260 /nfs/dbraw/zinc/50/52/60/1321505260.db2.gz WIQYAJSUKYIKGU-LJQANCHMSA-N 1 3 332.488 3.153 20 10 EGCDHO C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1[O-] ZINC000850516381 1322260274 /nfs/dbraw/zinc/26/02/74/1322260274.db2.gz DOFAPGCQZSCYKA-INIZCTEOSA-N 1 3 325.456 3.350 20 10 EGCDHO CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)ccc2O1 ZINC001205592782 1370803454 /nfs/dbraw/zinc/80/34/54/1370803454.db2.gz YFVHMWHINIJFAZ-LJQANCHMSA-N 1 3 334.435 3.229 20 10 EGCDHO CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)ccc2O1 ZINC001205592782 1370803459 /nfs/dbraw/zinc/80/34/59/1370803459.db2.gz YFVHMWHINIJFAZ-LJQANCHMSA-N 1 3 334.435 3.229 20 10 EGCDHO CCC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CCNCC1 ZINC001236181779 1376939667 /nfs/dbraw/zinc/93/96/67/1376939667.db2.gz FHRSNYOFSSMMLV-UHFFFAOYSA-N 1 3 343.515 3.055 20 10 EGCDHO CCC[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CCNCC1 ZINC001236181779 1376939670 /nfs/dbraw/zinc/93/96/70/1376939670.db2.gz FHRSNYOFSSMMLV-UHFFFAOYSA-N 1 3 343.515 3.055 20 10 EGCDHO COc1cc(C[N@H+](C)CCc2ccc(C)cc2)cc(C[NH+](C)C)c1[O-] ZINC001139258095 1377858562 /nfs/dbraw/zinc/85/85/62/1377858562.db2.gz LQGAZEGVUQZJJK-UHFFFAOYSA-N 1 3 342.483 3.445 20 10 EGCDHO COc1cc(C[N@@H+](C)CCc2ccc(C)cc2)cc(C[NH+](C)C)c1[O-] ZINC001139258095 1377858567 /nfs/dbraw/zinc/85/85/67/1377858567.db2.gz LQGAZEGVUQZJJK-UHFFFAOYSA-N 1 3 342.483 3.445 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CCOC)cc2)CC1 ZINC001140304104 1378042840 /nfs/dbraw/zinc/04/28/40/1378042840.db2.gz IIXMSDWHUNVUOD-FQEVSTJZSA-N 1 3 345.531 3.220 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CCOC)cc2)CC1 ZINC001140304104 1378042841 /nfs/dbraw/zinc/04/28/41/1378042841.db2.gz IIXMSDWHUNVUOD-FQEVSTJZSA-N 1 3 345.531 3.220 20 10 EGCDHO Oc1ccc(O)c(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)c1 ZINC001141160658 1378254449 /nfs/dbraw/zinc/25/44/49/1378254449.db2.gz GQAXUXCXOPFZQY-UHFFFAOYSA-N 1 3 338.451 3.196 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000808694578 1317717278 /nfs/dbraw/zinc/71/72/78/1317717278.db2.gz FKGSYGFFSSHDKX-HOCLYGCPSA-N 1 3 340.895 3.242 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000808694578 1317717284 /nfs/dbraw/zinc/71/72/84/1317717284.db2.gz FKGSYGFFSSHDKX-HOCLYGCPSA-N 1 3 340.895 3.242 20 10 EGCDHO CN1CCCc2cc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc21 ZINC000817901418 1319454706 /nfs/dbraw/zinc/45/47/06/1319454706.db2.gz VFZJMTULWRLSRN-SLFFLAALSA-N 1 3 327.516 3.469 20 10 EGCDHO C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000817984775 1319486773 /nfs/dbraw/zinc/48/67/73/1319486773.db2.gz ZRYZMKNGAJUXJT-KRWDZBQOSA-N 1 3 339.483 3.036 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205591367 1370803057 /nfs/dbraw/zinc/80/30/57/1370803057.db2.gz LBCBMXVWBONJNG-OAHLLOKOSA-N 1 3 345.256 3.116 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205591367 1370803059 /nfs/dbraw/zinc/80/30/59/1370803059.db2.gz LBCBMXVWBONJNG-OAHLLOKOSA-N 1 3 345.256 3.116 20 10 EGCDHO CC[N@H+](CCCN(C)C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237061237 1376973692 /nfs/dbraw/zinc/97/36/92/1376973692.db2.gz HZZYEXYCSOWOKU-UHFFFAOYSA-N 1 3 334.382 3.107 20 10 EGCDHO CC[N@@H+](CCCN(C)C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237061237 1376973699 /nfs/dbraw/zinc/97/36/99/1376973699.db2.gz HZZYEXYCSOWOKU-UHFFFAOYSA-N 1 3 334.382 3.107 20 10 EGCDHO CCN1CCN(c2ccc(C[NH+]3CCC(SC)CC3)cc2)CC1 ZINC001140303888 1378042759 /nfs/dbraw/zinc/04/27/59/1378042759.db2.gz CNDZLRSIQHTQTC-UHFFFAOYSA-N 1 3 333.545 3.156 20 10 EGCDHO CC[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132968742 454381696 /nfs/dbraw/zinc/38/16/96/454381696.db2.gz AVTVETHSZXOEBV-UTKZUKDTSA-N 1 3 345.531 3.294 20 10 EGCDHO CCN(C)c1ccc([C@H](C)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271432680 455634460 /nfs/dbraw/zinc/63/44/60/455634460.db2.gz BFVXVKUYXSMIGV-NDXORKPFSA-N 1 3 345.531 3.171 20 10 EGCDHO CCCCN1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876977390 1299099316 /nfs/dbraw/zinc/09/93/16/1299099316.db2.gz ZSERXWATCKMJEA-UHFFFAOYSA-N 1 3 345.531 3.002 20 10 EGCDHO CCN(CC)c1ccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000762481797 1301688813 /nfs/dbraw/zinc/68/88/13/1301688813.db2.gz RCXDIOGATYYOMU-GOSISDBHSA-N 1 3 333.520 3.123 20 10 EGCDHO CCN(CC)c1ccc(CNCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000762481797 1301688820 /nfs/dbraw/zinc/68/88/20/1301688820.db2.gz RCXDIOGATYYOMU-GOSISDBHSA-N 1 3 333.520 3.123 20 10 EGCDHO COc1ccc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1OC ZINC000893488832 1305923355 /nfs/dbraw/zinc/92/33/55/1305923355.db2.gz UGWQMVVMFVBHFT-GOEBONIOSA-N 1 3 348.487 3.152 20 10 EGCDHO COc1ccc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(O)c1OC ZINC000893488832 1305923360 /nfs/dbraw/zinc/92/33/60/1305923360.db2.gz UGWQMVVMFVBHFT-GOEBONIOSA-N 1 3 348.487 3.152 20 10 EGCDHO CSC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC[NH+](C)CC1 ZINC000810252148 1317986382 /nfs/dbraw/zinc/98/63/82/1317986382.db2.gz KBXQOGHGCWEFSK-OCCSQVGLSA-N 1 3 338.492 3.497 20 10 EGCDHO COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824575135 1320265453 /nfs/dbraw/zinc/26/54/53/1320265453.db2.gz BTLUZJNTMYYYBY-HNNXBMFYSA-N 1 3 334.504 3.472 20 10 EGCDHO COc1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824575135 1320265458 /nfs/dbraw/zinc/26/54/58/1320265458.db2.gz BTLUZJNTMYYYBY-HNNXBMFYSA-N 1 3 334.504 3.472 20 10 EGCDHO CC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC[NH2+]CC1 ZINC000841058373 1321211180 /nfs/dbraw/zinc/21/11/80/1321211180.db2.gz WOKKQHNMUBPHSL-UHFFFAOYSA-N 1 3 340.467 3.451 20 10 EGCDHO C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000843058750 1321463791 /nfs/dbraw/zinc/46/37/91/1321463791.db2.gz XJEIGSHDXCBLPN-DOTOQJQBSA-N 1 3 326.440 3.140 20 10 EGCDHO C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000843058750 1321463793 /nfs/dbraw/zinc/46/37/93/1321463793.db2.gz XJEIGSHDXCBLPN-DOTOQJQBSA-N 1 3 326.440 3.140 20 10 EGCDHO CN(C)c1cc(F)c(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000862367764 1329478688 /nfs/dbraw/zinc/47/86/88/1329478688.db2.gz UVDIDBNDVCDHDE-HNNXBMFYSA-N 1 3 337.458 3.195 20 10 EGCDHO CCN(CC)c1ccc(C[N@@H+]2CCCCC23CCNCC3)c(O)c1 ZINC001235189603 1376856293 /nfs/dbraw/zinc/85/62/93/1376856293.db2.gz NFENIPJNADABFA-UHFFFAOYSA-N 1 3 331.504 3.347 20 10 EGCDHO CCN(CC)c1ccc(C[N@H+]2CCCCC23CCNCC3)c(O)c1 ZINC001235189603 1376856297 /nfs/dbraw/zinc/85/62/97/1376856297.db2.gz NFENIPJNADABFA-UHFFFAOYSA-N 1 3 331.504 3.347 20 10 EGCDHO COc1cc(C[N@H+](C)CCc2cccs2)cc(C[NH+](C)C)c1[O-] ZINC001139256411 1377858185 /nfs/dbraw/zinc/85/81/85/1377858185.db2.gz AISUEONPMQAAMZ-UHFFFAOYSA-N 1 3 334.485 3.198 20 10 EGCDHO COc1cc(C[N@@H+](C)CCc2cccs2)cc(C[NH+](C)C)c1[O-] ZINC001139256411 1377858190 /nfs/dbraw/zinc/85/81/90/1377858190.db2.gz AISUEONPMQAAMZ-UHFFFAOYSA-N 1 3 334.485 3.198 20 10 EGCDHO CCC[NH+](CCC)CCCN1CCN(Cc2ccc(C)cc2O)CC1 ZINC001140954350 1378192164 /nfs/dbraw/zinc/19/21/64/1378192164.db2.gz RBCRTRCCOXLPTD-UHFFFAOYSA-N 1 3 347.547 3.330 20 10 EGCDHO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](N(C)C)C3)CC2)cc1 ZINC000161069979 455529496 /nfs/dbraw/zinc/52/94/96/455529496.db2.gz DEYCVAAXNMNPHB-PKOBYXMFSA-N 1 3 331.504 3.126 20 10 EGCDHO COc1ccc(O)c([C@H](C)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000185231950 1295249865 /nfs/dbraw/zinc/24/98/65/1295249865.db2.gz ZEJDJIMFMUAMEU-HNNXBMFYSA-N 1 3 344.455 3.192 20 10 EGCDHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000772998436 1303604005 /nfs/dbraw/zinc/60/40/05/1303604005.db2.gz KNSNYHAVQIQZLI-QUCCMNQESA-N 1 3 347.547 3.288 20 10 EGCDHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000772998436 1303604009 /nfs/dbraw/zinc/60/40/09/1303604009.db2.gz KNSNYHAVQIQZLI-QUCCMNQESA-N 1 3 347.547 3.288 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1[O-] ZINC000817970270 1319481068 /nfs/dbraw/zinc/48/10/68/1319481068.db2.gz QGPBMZQVDDSFEP-WCFLWFBJSA-N 1 3 327.266 3.384 20 10 EGCDHO Cc1cc(Br)cc(CN(C)CC[C@H]([NH3+])C(C)C)c1O ZINC000843056576 1321463336 /nfs/dbraw/zinc/46/33/36/1321463336.db2.gz RAUFLPFOTPDBFA-AWEZNQCLSA-N 1 3 329.282 3.268 20 10 EGCDHO CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(O)cc3[O-])CC2)CC1 ZINC001204278098 1370430669 /nfs/dbraw/zinc/43/06/69/1370430669.db2.gz SVSFGTHAKMTGGX-UHFFFAOYSA-N 1 3 332.488 3.432 20 10 EGCDHO CCN1CCN(c2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC001140301984 1378042829 /nfs/dbraw/zinc/04/28/29/1378042829.db2.gz GOVPCJYHQVUYQY-WOJBJXKFSA-N 1 3 327.516 3.451 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+](C(C)C)C3CCOCC3)cc2)CC1 ZINC001140309909 1378044350 /nfs/dbraw/zinc/04/43/50/1378044350.db2.gz ZPSKKOGJFADCPM-UHFFFAOYSA-N 1 3 345.531 3.218 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+](C(C)C)C3CCOCC3)cc2)CC1 ZINC001140309909 1378044351 /nfs/dbraw/zinc/04/43/51/1378044351.db2.gz ZPSKKOGJFADCPM-UHFFFAOYSA-N 1 3 345.531 3.218 20 10 EGCDHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(N(C)C)cc1 ZINC000159136209 455355050 /nfs/dbraw/zinc/35/50/50/455355050.db2.gz MDDUGEMPWGHUDO-FQEVSTJZSA-N 1 3 333.520 3.294 20 10 EGCDHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271510253 455664230 /nfs/dbraw/zinc/66/42/30/455664230.db2.gz NVSGLYPDNPDXCF-PWRODBHTSA-N 1 3 345.531 3.171 20 10 EGCDHO CN(C)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1 ZINC000279965342 455878795 /nfs/dbraw/zinc/87/87/95/455878795.db2.gz PJUUPNHJFGYCBD-CYBMUJFWSA-N 1 3 341.421 3.345 20 10 EGCDHO COc1cc(Cl)cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000369722603 458325816 /nfs/dbraw/zinc/32/58/16/458325816.db2.gz SLDFLHVOLMGAKR-UHFFFAOYSA-N 1 3 338.879 3.362 20 10 EGCDHO COc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000369722603 458325820 /nfs/dbraw/zinc/32/58/20/458325820.db2.gz SLDFLHVOLMGAKR-UHFFFAOYSA-N 1 3 338.879 3.362 20 10 EGCDHO COc1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000708563433 1298244031 /nfs/dbraw/zinc/24/40/31/1298244031.db2.gz XIECOEQKFSIEQX-LPHOPBHVSA-N 1 3 340.467 3.259 20 10 EGCDHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccc(C)cc1O ZINC000794811688 1309600168 /nfs/dbraw/zinc/60/01/68/1309600168.db2.gz YBNCOCQGSUBSBM-IEBWSBKVSA-N 1 3 333.520 3.015 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1[O-] ZINC000808676128 1317713896 /nfs/dbraw/zinc/71/38/96/1317713896.db2.gz DZMIKTSZMBPLHW-OAHLLOKOSA-N 1 3 339.911 3.032 20 10 EGCDHO C[C@H]([NH3+])C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000843048481 1321461431 /nfs/dbraw/zinc/46/14/31/1321461431.db2.gz BLHWBIVMDZFCKV-HNNXBMFYSA-N 1 3 346.475 3.144 20 10 EGCDHO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127888 1321474493 /nfs/dbraw/zinc/47/44/93/1321474493.db2.gz UFJVAFUBQRQQFH-UONOGXRCSA-N 1 3 338.879 3.266 20 10 EGCDHO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127888 1321474494 /nfs/dbraw/zinc/47/44/94/1321474494.db2.gz UFJVAFUBQRQQFH-UONOGXRCSA-N 1 3 338.879 3.266 20 10 EGCDHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850029410 1322185377 /nfs/dbraw/zinc/18/53/77/1322185377.db2.gz IGKWIRBHUMCCMC-CQSZACIVSA-N 1 3 332.488 3.272 20 10 EGCDHO [O-]c1ccccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001203552538 1370167946 /nfs/dbraw/zinc/16/79/46/1370167946.db2.gz NJBJEDZNKTWSNP-UHFFFAOYSA-N 1 3 326.440 3.473 20 10 EGCDHO [O-]c1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001203552538 1370167950 /nfs/dbraw/zinc/16/79/50/1370167950.db2.gz NJBJEDZNKTWSNP-UHFFFAOYSA-N 1 3 326.440 3.473 20 10 EGCDHO C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@H]1C[NH3+] ZINC001205636529 1370820913 /nfs/dbraw/zinc/82/09/13/1370820913.db2.gz DGJFORTZDVARRT-NWDGAFQWSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@H]1C[NH3+] ZINC001205636529 1370820917 /nfs/dbraw/zinc/82/09/17/1370820917.db2.gz DGJFORTZDVARRT-NWDGAFQWSA-N 1 3 332.366 3.098 20 10 EGCDHO COc1cc(CN2CCCc3ccccc3C2)cc(C[NH+](C)C)c1O ZINC001139258877 1377858520 /nfs/dbraw/zinc/85/85/20/1377858520.db2.gz YWYWJDNWFLHJID-UHFFFAOYSA-N 1 3 340.467 3.411 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+](C)CC3CC(F)(F)C3)cc2)CC1 ZINC001140303903 1378042778 /nfs/dbraw/zinc/04/27/78/1378042778.db2.gz DCTBOSJNMSYSCZ-UHFFFAOYSA-N 1 3 337.458 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+](C)CC3CC(F)(F)C3)cc2)CC1 ZINC001140303903 1378042779 /nfs/dbraw/zinc/04/27/79/1378042779.db2.gz DCTBOSJNMSYSCZ-UHFFFAOYSA-N 1 3 337.458 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC(F)(F)[C@@H](C)C3)cc2)CC1 ZINC001140302466 1378042854 /nfs/dbraw/zinc/04/28/54/1378042854.db2.gz RRWUNWWXKFOHNJ-INIZCTEOSA-N 1 3 337.458 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC(F)(F)[C@@H](C)C3)cc2)CC1 ZINC001140302466 1378042855 /nfs/dbraw/zinc/04/28/55/1378042855.db2.gz RRWUNWWXKFOHNJ-INIZCTEOSA-N 1 3 337.458 3.306 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1[O-] ZINC000835062583 1293196969 /nfs/dbraw/zinc/19/69/69/1293196969.db2.gz DCGARFWCKIGBOU-UHFFFAOYSA-N 1 3 341.293 3.427 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]CCCC[N@H+](C)C2CC2)c1[O-] ZINC000835062583 1293196971 /nfs/dbraw/zinc/19/69/71/1293196971.db2.gz DCGARFWCKIGBOU-UHFFFAOYSA-N 1 3 341.293 3.427 20 10 EGCDHO CCN(C)c1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000762650787 1301721381 /nfs/dbraw/zinc/72/13/81/1301721381.db2.gz RWVCGQLPHUOOSD-QZTJIDSGSA-N 1 3 333.520 3.294 20 10 EGCDHO CCN(C)c1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000762650787 1301721386 /nfs/dbraw/zinc/72/13/86/1301721386.db2.gz RWVCGQLPHUOOSD-QZTJIDSGSA-N 1 3 333.520 3.294 20 10 EGCDHO C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000765608655 1302290098 /nfs/dbraw/zinc/29/00/98/1302290098.db2.gz IQWKOQMCMPDRKX-INIZCTEOSA-N 1 3 340.467 3.413 20 10 EGCDHO C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000783510401 1305101037 /nfs/dbraw/zinc/10/10/37/1305101037.db2.gz YWMBZJBUAVNWOT-MRXNPFEDSA-N 1 3 328.456 3.226 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1[O-] ZINC000841071773 1321212963 /nfs/dbraw/zinc/21/29/63/1321212963.db2.gz AVJHEPPPBAGUAJ-AWEZNQCLSA-N 1 3 327.266 3.085 20 10 EGCDHO C[NH2+]CCC1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000843057136 1321463912 /nfs/dbraw/zinc/46/39/12/1321463912.db2.gz DCQZUIIOLSKFCU-UHFFFAOYSA-N 1 3 341.293 3.285 20 10 EGCDHO Cc1cc(Br)cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1O ZINC000843059264 1321463984 /nfs/dbraw/zinc/46/39/84/1321463984.db2.gz ITIJWUUBPHLNQM-CQDKDKBSSA-N 1 3 339.277 3.022 20 10 EGCDHO COc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[O-] ZINC000849349506 1322115597 /nfs/dbraw/zinc/11/55/97/1322115597.db2.gz BQXDNKCWYWMDEC-CQSZACIVSA-N 1 3 338.879 3.266 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC001140301840 1378042876 /nfs/dbraw/zinc/04/28/76/1378042876.db2.gz BABDVUGDKQONFS-PMACEKPBSA-N 1 3 327.516 3.451 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC001140301840 1378042877 /nfs/dbraw/zinc/04/28/77/1378042877.db2.gz BABDVUGDKQONFS-PMACEKPBSA-N 1 3 327.516 3.451 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C(C)(C)OC)cc2)CC1 ZINC001140304432 1378042935 /nfs/dbraw/zinc/04/29/35/1378042935.db2.gz PCDVSAZFZHCOIS-HXUWFJFHSA-N 1 3 345.531 3.218 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C(C)(C)OC)cc2)CC1 ZINC001140304432 1378042936 /nfs/dbraw/zinc/04/29/36/1378042936.db2.gz PCDVSAZFZHCOIS-HXUWFJFHSA-N 1 3 345.531 3.218 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1[O-] ZINC000275399169 456274103 /nfs/dbraw/zinc/27/41/03/456274103.db2.gz ZNWQHBLUSQXQPW-GFCCVEGCSA-N 1 3 339.277 3.376 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1[O-] ZINC000275399169 456274107 /nfs/dbraw/zinc/27/41/07/456274107.db2.gz ZNWQHBLUSQXQPW-GFCCVEGCSA-N 1 3 339.277 3.376 20 10 EGCDHO COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000272200540 455874555 /nfs/dbraw/zinc/87/45/55/455874555.db2.gz OKRXSQUJFQKNJU-QFBILLFUSA-N 1 3 340.467 3.401 20 10 EGCDHO COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180223692 1294871303 /nfs/dbraw/zinc/87/13/03/1294871303.db2.gz KQSDFEVDFDPMRZ-UHFFFAOYSA-N 1 3 338.467 3.102 20 10 EGCDHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180223692 1294871307 /nfs/dbraw/zinc/87/13/07/1294871307.db2.gz KQSDFEVDFDPMRZ-UHFFFAOYSA-N 1 3 338.467 3.102 20 10 EGCDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897895 1319455016 /nfs/dbraw/zinc/45/50/16/1319455016.db2.gz XQEBCTHQYZZNOG-DQLDELGASA-N 1 3 345.531 3.297 20 10 EGCDHO C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843058500 1321464266 /nfs/dbraw/zinc/46/42/66/1321464266.db2.gz UTFXACYBQLUSQU-DOTOQJQBSA-N 1 3 326.440 3.140 20 10 EGCDHO C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843058500 1321464267 /nfs/dbraw/zinc/46/42/67/1321464267.db2.gz UTFXACYBQLUSQU-DOTOQJQBSA-N 1 3 326.440 3.140 20 10 EGCDHO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c([O-])cc1Br ZINC001205666065 1370835255 /nfs/dbraw/zinc/83/52/55/1370835255.db2.gz ZGYPKMKKSMADIN-WCQYABFASA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c([O-])cc1Br ZINC001205666065 1370835260 /nfs/dbraw/zinc/83/52/60/1370835260.db2.gz ZGYPKMKKSMADIN-WCQYABFASA-N 1 3 341.293 3.270 20 10 EGCDHO COc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1[O-] ZINC001235242706 1376862848 /nfs/dbraw/zinc/86/28/48/1376862848.db2.gz UJCNDHOQXFWMTP-INIZCTEOSA-N 1 3 338.879 3.408 20 10 EGCDHO CCN(C)c1ccc([C@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000159076328 455350154 /nfs/dbraw/zinc/35/01/54/455350154.db2.gz WVDQLHOAXBGKLD-KRWDZBQOSA-N 1 3 333.520 3.294 20 10 EGCDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161132265 455538495 /nfs/dbraw/zinc/53/84/95/455538495.db2.gz XRIMZLNVHBJKIZ-SZMVWBNQSA-N 1 3 349.494 3.186 20 10 EGCDHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858491000 1328778158 /nfs/dbraw/zinc/77/81/58/1328778158.db2.gz UYGPGQQVJRJBOI-IAGOWNOFSA-N 1 3 349.494 3.045 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c1[O-] ZINC000817967688 1319479576 /nfs/dbraw/zinc/47/95/76/1319479576.db2.gz KZQJMOGRXBFDAD-LLVKDONJSA-N 1 3 325.250 3.033 20 10 EGCDHO C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001206317538 1371020044 /nfs/dbraw/zinc/02/00/44/1371020044.db2.gz GRRINAPNFOEZLF-HNNXBMFYSA-N 1 3 332.366 3.242 20 10 EGCDHO C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001206317538 1371020047 /nfs/dbraw/zinc/02/00/47/1371020047.db2.gz GRRINAPNFOEZLF-HNNXBMFYSA-N 1 3 332.366 3.242 20 10 EGCDHO C[C@@]1(C[NH3+])CCCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206556478 1371092208 /nfs/dbraw/zinc/09/22/08/1371092208.db2.gz SSKKBQXADRGLQJ-NRFANRHFSA-N 1 3 327.516 3.336 20 10 EGCDHO CCN1CCN(c2ccc(C[NH+]3CCc4ccccc4CC3)cc2)CC1 ZINC001140304711 1378042752 /nfs/dbraw/zinc/04/27/52/1378042752.db2.gz ZGEIHXBQONTEEE-UHFFFAOYSA-N 1 3 349.522 3.429 20 10 EGCDHO COc1cc(Cl)cc(C[NH2+]CCCCC[NH+]2CCCC2)c1[O-] ZINC000293575917 455790857 /nfs/dbraw/zinc/79/08/57/455790857.db2.gz HHYNYUKMQMYMKK-UHFFFAOYSA-N 1 3 326.868 3.410 20 10 EGCDHO COc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000272200539 455874702 /nfs/dbraw/zinc/87/47/02/455874702.db2.gz OKRXSQUJFQKNJU-LPHOPBHVSA-N 1 3 340.467 3.401 20 10 EGCDHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129295937 1293620397 /nfs/dbraw/zinc/62/03/97/1293620397.db2.gz AXPKSFXZFHTHPQ-PBHICJAKSA-N 1 3 332.488 3.311 20 10 EGCDHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129295937 1293620402 /nfs/dbraw/zinc/62/04/02/1293620402.db2.gz AXPKSFXZFHTHPQ-PBHICJAKSA-N 1 3 332.488 3.311 20 10 EGCDHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153783567 1294028290 /nfs/dbraw/zinc/02/82/90/1294028290.db2.gz YMLIRZNPAGGNOI-GOSISDBHSA-N 1 3 333.520 3.296 20 10 EGCDHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153783567 1294028297 /nfs/dbraw/zinc/02/82/97/1294028297.db2.gz YMLIRZNPAGGNOI-GOSISDBHSA-N 1 3 333.520 3.296 20 10 EGCDHO COc1ccc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1OC ZINC000893488836 1305922602 /nfs/dbraw/zinc/92/26/02/1305922602.db2.gz UGWQMVVMFVBHFT-ZBFHGGJFSA-N 1 3 348.487 3.152 20 10 EGCDHO COc1ccc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(O)c1OC ZINC000893488836 1305922609 /nfs/dbraw/zinc/92/26/09/1305922609.db2.gz UGWQMVVMFVBHFT-ZBFHGGJFSA-N 1 3 348.487 3.152 20 10 EGCDHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001322376291 1387175094 /nfs/dbraw/zinc/17/50/94/1387175094.db2.gz OVEHFCJFXBUUJL-OALUTQOASA-N 1 3 345.531 3.266 20 10 EGCDHO CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000157931465 455250746 /nfs/dbraw/zinc/25/07/46/455250746.db2.gz ROOPKXYTFLOMCN-AZUAARDMSA-N 1 3 340.467 3.200 20 10 EGCDHO CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000157931465 455250750 /nfs/dbraw/zinc/25/07/50/455250750.db2.gz ROOPKXYTFLOMCN-AZUAARDMSA-N 1 3 340.467 3.200 20 10 EGCDHO C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(F)ccc1[O-] ZINC000185055322 455493212 /nfs/dbraw/zinc/49/32/12/455493212.db2.gz NYDJVDMYQQDSQC-CQSZACIVSA-N 1 3 332.419 3.323 20 10 EGCDHO Cc1cccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1O ZINC000179884018 455094337 /nfs/dbraw/zinc/09/43/37/455094337.db2.gz PIKZXVIFDUTQSD-IAGOWNOFSA-N 1 3 332.488 3.022 20 10 EGCDHO CCCOc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c([O-])c1 ZINC000290590803 456375977 /nfs/dbraw/zinc/37/59/77/456375977.db2.gz VFJCLHXBKPVBDY-QGZVFWFLSA-N 1 3 332.488 3.345 20 10 EGCDHO CCCOc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c([O-])c1 ZINC000290590803 456375982 /nfs/dbraw/zinc/37/59/82/456375982.db2.gz VFJCLHXBKPVBDY-QGZVFWFLSA-N 1 3 332.488 3.345 20 10 EGCDHO CN(C)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000298569905 456491921 /nfs/dbraw/zinc/49/19/21/456491921.db2.gz WZJWVZHOZKMREC-UHFFFAOYSA-N 1 3 328.435 3.045 20 10 EGCDHO CN(C)c1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000902517353 1317586095 /nfs/dbraw/zinc/58/60/95/1317586095.db2.gz KKRWGBRRWVNXMT-HKBOAZHASA-N 1 3 338.499 3.090 20 10 EGCDHO COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824575136 1320265668 /nfs/dbraw/zinc/26/56/68/1320265668.db2.gz BTLUZJNTMYYYBY-OAHLLOKOSA-N 1 3 334.504 3.472 20 10 EGCDHO COc1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824575136 1320265671 /nfs/dbraw/zinc/26/56/71/1320265671.db2.gz BTLUZJNTMYYYBY-OAHLLOKOSA-N 1 3 334.504 3.472 20 10 EGCDHO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000841056751 1321211360 /nfs/dbraw/zinc/21/13/60/1321211360.db2.gz CTWVVWMBOADQHR-ZWKOTPCHSA-N 1 3 326.440 3.331 20 10 EGCDHO C[NH2+]CC1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000843048800 1321461143 /nfs/dbraw/zinc/46/11/43/1321461143.db2.gz AEMQKXWZBOYYLN-UHFFFAOYSA-N 1 3 329.410 3.203 20 10 EGCDHO C[NH+](C)CCCOc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001204270140 1370428430 /nfs/dbraw/zinc/42/84/30/1370428430.db2.gz QAIJKVSWLQJNID-UHFFFAOYSA-N 1 3 340.467 3.281 20 10 EGCDHO C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001204270140 1370428432 /nfs/dbraw/zinc/42/84/32/1370428432.db2.gz QAIJKVSWLQJNID-UHFFFAOYSA-N 1 3 340.467 3.281 20 10 EGCDHO CCCCN1CCC([N@H+](C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141146057 1378248899 /nfs/dbraw/zinc/24/88/99/1378248899.db2.gz JAEDVOFTCBWIKZ-UHFFFAOYSA-N 1 3 331.504 3.212 20 10 EGCDHO CCCCN1CCC([N@@H+](C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141146057 1378248904 /nfs/dbraw/zinc/24/89/04/1378248904.db2.gz JAEDVOFTCBWIKZ-UHFFFAOYSA-N 1 3 331.504 3.212 20 10 EGCDHO COc1ccc(N2CCC([NH2+]C[C@H]3CCCN(C(C)C)C3)CC2)cc1 ZINC000125847670 454851513 /nfs/dbraw/zinc/85/15/13/454851513.db2.gz QLKKVJIYNSLYFT-GOSISDBHSA-N 1 3 345.531 3.374 20 10 EGCDHO Cc1cccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1O ZINC000179884003 455094085 /nfs/dbraw/zinc/09/40/85/455094085.db2.gz PIKZXVIFDUTQSD-CALCHBBNSA-N 1 3 332.488 3.022 20 10 EGCDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 ZINC000246874119 1296373926 /nfs/dbraw/zinc/37/39/26/1296373926.db2.gz DQATYYPPIGOIAF-QFBILLFUSA-N 1 3 333.545 3.060 20 10 EGCDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 ZINC000246874119 1296373939 /nfs/dbraw/zinc/37/39/39/1296373939.db2.gz DQATYYPPIGOIAF-QFBILLFUSA-N 1 3 333.545 3.060 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1[O-] ZINC000873293597 1297416090 /nfs/dbraw/zinc/41/60/90/1297416090.db2.gz NMABMAUTDCMQLF-UKRRQHHQSA-N 1 3 338.879 3.163 20 10 EGCDHO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000824559191 1320265125 /nfs/dbraw/zinc/26/51/25/1320265125.db2.gz JYDTYCQYTHXHIV-FQEVSTJZSA-N 1 3 345.531 3.123 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1[O-] ZINC000817970267 1319481092 /nfs/dbraw/zinc/48/10/92/1319481092.db2.gz QGPBMZQVDDSFEP-CYZMBNFOSA-N 1 3 327.266 3.384 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000817976213 1319484344 /nfs/dbraw/zinc/48/43/44/1319484344.db2.gz IHUOLFNPSODFKJ-BXUZGUMPSA-N 1 3 339.277 3.256 20 10 EGCDHO [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000841085334 1321215831 /nfs/dbraw/zinc/21/58/31/1321215831.db2.gz ZLCJTZSZGPJFIT-SJLPKXTDSA-N 1 3 326.440 3.188 20 10 EGCDHO [NH3+]C[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843047760 1321461507 /nfs/dbraw/zinc/46/15/07/1321461507.db2.gz SMZJZJXBNVJDCO-KRWDZBQOSA-N 1 3 326.440 3.142 20 10 EGCDHO C[C@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1C[NH3+] ZINC001205317970 1370720340 /nfs/dbraw/zinc/72/03/40/1370720340.db2.gz RBYQLIRXGHIQQA-LPHOPBHVSA-N 1 3 340.467 3.388 20 10 EGCDHO C[C@H]1C[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206026275 1370942273 /nfs/dbraw/zinc/94/22/73/1370942273.db2.gz RGEJXZCBXNPROD-NWDGAFQWSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@H]1C[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206026275 1370942275 /nfs/dbraw/zinc/94/22/75/1370942275.db2.gz RGEJXZCBXNPROD-NWDGAFQWSA-N 1 3 332.366 3.098 20 10 EGCDHO COc1cc(CN(C)Cc2ccccc2C)cc(C[NH+](C)C)c1O ZINC001139256626 1377858548 /nfs/dbraw/zinc/85/85/48/1377858548.db2.gz FNUNZYXKDFIKKF-UHFFFAOYSA-N 1 3 328.456 3.403 20 10 EGCDHO CC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132968326 454381992 /nfs/dbraw/zinc/38/19/92/454381992.db2.gz AVTVETHSZXOEBV-UWJYYQICSA-N 1 3 345.531 3.294 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1[O-] ZINC000275399170 456273770 /nfs/dbraw/zinc/27/37/70/456273770.db2.gz ZNWQHBLUSQXQPW-LBPRGKRZSA-N 1 3 339.277 3.376 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1[O-] ZINC000275399170 456273773 /nfs/dbraw/zinc/27/37/73/456273773.db2.gz ZNWQHBLUSQXQPW-LBPRGKRZSA-N 1 3 339.277 3.376 20 10 EGCDHO Cc1ccc([C@@H](C)NCc2ccncc2OCCC[NH+](C)C)c(O)c1 ZINC000290348007 456300288 /nfs/dbraw/zinc/30/02/88/456300288.db2.gz PWIUBSMIOKLNND-MRXNPFEDSA-N 1 3 343.471 3.277 20 10 EGCDHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000246201586 1296342244 /nfs/dbraw/zinc/34/22/44/1296342244.db2.gz AXPKSFXZFHTHPQ-WMLDXEAASA-N 1 3 332.488 3.311 20 10 EGCDHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000246201586 1296342256 /nfs/dbraw/zinc/34/22/56/1296342256.db2.gz AXPKSFXZFHTHPQ-WMLDXEAASA-N 1 3 332.488 3.311 20 10 EGCDHO CN(C)c1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817896414 1319454689 /nfs/dbraw/zinc/45/46/89/1319454689.db2.gz IODKNLHOQIXRNO-TZIWHRDSSA-N 1 3 337.467 3.098 20 10 EGCDHO CN1CCCc2cc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccc21 ZINC000817901417 1319455294 /nfs/dbraw/zinc/45/52/94/1319455294.db2.gz VFZJMTULWRLSRN-HSALFYBXSA-N 1 3 327.516 3.469 20 10 EGCDHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000848719111 1322000557 /nfs/dbraw/zinc/00/05/57/1322000557.db2.gz YGLUHBNUBVPAIX-RBSFLKMASA-N 1 3 339.430 3.116 20 10 EGCDHO C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206027699 1370942145 /nfs/dbraw/zinc/94/21/45/1370942145.db2.gz WQPORWVVVSQISG-NWDGAFQWSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206027699 1370942146 /nfs/dbraw/zinc/94/21/46/1370942146.db2.gz WQPORWVVVSQISG-NWDGAFQWSA-N 1 3 332.366 3.098 20 10 EGCDHO CCN(CC)c1ccc(CN2CCC3(C[NH+](C)C3)CC2)c(OC)c1 ZINC001138392475 1377715818 /nfs/dbraw/zinc/71/58/18/1377715818.db2.gz XHPVVCYWLPFSIW-UHFFFAOYSA-N 1 3 331.504 3.069 20 10 EGCDHO Cc1c(O)ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC001140747362 1378129159 /nfs/dbraw/zinc/12/91/59/1378129159.db2.gz AIZQORQBLTUDEV-GOSISDBHSA-N 1 3 340.467 3.360 20 10 EGCDHO Cc1c(O)ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC001140747362 1378129160 /nfs/dbraw/zinc/12/91/60/1378129160.db2.gz AIZQORQBLTUDEV-GOSISDBHSA-N 1 3 340.467 3.360 20 10 EGCDHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813804 455714737 /nfs/dbraw/zinc/71/47/37/455714737.db2.gz FPEXOQACVVNVQB-NQIIRXRSSA-N 1 3 345.531 3.174 20 10 EGCDHO COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c2c1 ZINC000129305003 1293620663 /nfs/dbraw/zinc/62/06/63/1293620663.db2.gz YBAHTQMKKLPASR-OXQOHEQNSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c2c1 ZINC000129305003 1293620669 /nfs/dbraw/zinc/62/06/69/1293620669.db2.gz YBAHTQMKKLPASR-OXQOHEQNSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2c1 ZINC000129305003 1293620675 /nfs/dbraw/zinc/62/06/75/1293620675.db2.gz YBAHTQMKKLPASR-OXQOHEQNSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2c1 ZINC000129305003 1293620679 /nfs/dbraw/zinc/62/06/79/1293620679.db2.gz YBAHTQMKKLPASR-OXQOHEQNSA-N 1 3 340.467 3.470 20 10 EGCDHO CC[NH+]1CCC(CCNCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858147188 1328696499 /nfs/dbraw/zinc/69/64/99/1328696499.db2.gz YNEBNSOEHVMQDB-UHFFFAOYSA-N 1 3 325.447 3.242 20 10 EGCDHO CCN(CC)c1ccc(CNCc2ccc(CC[NH3+])cc2)cc1F ZINC000841031913 1321204833 /nfs/dbraw/zinc/20/48/33/1321204833.db2.gz BJLDOCXDBAKJLZ-UHFFFAOYSA-N 1 3 329.463 3.463 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC001206011970 1370938097 /nfs/dbraw/zinc/93/80/97/1370938097.db2.gz HUUPXDYXJLUBIR-QWHCGFSZSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC001206011970 1370938101 /nfs/dbraw/zinc/93/81/01/1370938101.db2.gz HUUPXDYXJLUBIR-QWHCGFSZSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC001206011955 1370938247 /nfs/dbraw/zinc/93/82/47/1370938247.db2.gz HUUPXDYXJLUBIR-OLZOCXBDSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC001206011955 1370938252 /nfs/dbraw/zinc/93/82/52/1370938252.db2.gz HUUPXDYXJLUBIR-OLZOCXBDSA-N 1 3 341.293 3.270 20 10 EGCDHO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](N(C)C)C3)CC2)cc1 ZINC000161070221 455529972 /nfs/dbraw/zinc/52/99/72/455529972.db2.gz DEYCVAAXNMNPHB-IEBWSBKVSA-N 1 3 331.504 3.126 20 10 EGCDHO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](N(C)C)C3)CC2)cc1 ZINC000161070334 455530035 /nfs/dbraw/zinc/53/00/35/455530035.db2.gz DEYCVAAXNMNPHB-MJGOQNOKSA-N 1 3 331.504 3.126 20 10 EGCDHO COc1ccc(N2CCC[N@H+](CCCN3CCCCC3)CC2)cc1 ZINC000193475580 455761287 /nfs/dbraw/zinc/76/12/87/455761287.db2.gz WLLCGLJRHHVXMT-UHFFFAOYSA-N 1 3 331.504 3.083 20 10 EGCDHO COc1ccc(N2CCC[N@@H+](CCCN3CCCCC3)CC2)cc1 ZINC000193475580 455761289 /nfs/dbraw/zinc/76/12/89/455761289.db2.gz WLLCGLJRHHVXMT-UHFFFAOYSA-N 1 3 331.504 3.083 20 10 EGCDHO Cc1cc(Br)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1[O-] ZINC000158026915 1294194222 /nfs/dbraw/zinc/19/42/22/1294194222.db2.gz GULWMUPVZFRYFN-UHFFFAOYSA-N 1 3 341.293 3.237 20 10 EGCDHO CC[C@H](N)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841072061 1321214108 /nfs/dbraw/zinc/21/41/08/1321214108.db2.gz MDSJSEODVNEYLV-AWEZNQCLSA-N 1 3 340.309 3.266 20 10 EGCDHO [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000841085332 1321216286 /nfs/dbraw/zinc/21/62/86/1321216286.db2.gz ZLCJTZSZGPJFIT-AEFFLSMTSA-N 1 3 326.440 3.188 20 10 EGCDHO Cc1cc(Br)cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1O ZINC000843059269 1321463690 /nfs/dbraw/zinc/46/36/90/1321463690.db2.gz ITIJWUUBPHLNQM-NILFDRSVSA-N 1 3 339.277 3.022 20 10 EGCDHO C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001206563888 1371095035 /nfs/dbraw/zinc/09/50/35/1371095035.db2.gz JTJGHVBFIJFVKY-HNNXBMFYSA-N 1 3 332.366 3.242 20 10 EGCDHO C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001206563888 1371095037 /nfs/dbraw/zinc/09/50/37/1371095037.db2.gz JTJGHVBFIJFVKY-HNNXBMFYSA-N 1 3 332.366 3.242 20 10 EGCDHO COc1cc(Cl)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1[O-] ZINC000184683136 455427116 /nfs/dbraw/zinc/42/71/16/455427116.db2.gz MWDPKICZTFZTTA-UHFFFAOYSA-N 1 3 326.868 3.218 20 10 EGCDHO Cc1ccc(O)c(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587460 454590602 /nfs/dbraw/zinc/59/06/02/454590602.db2.gz CZXYKBKBCGVREU-CALCHBBNSA-N 1 3 332.488 3.022 20 10 EGCDHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000772998428 1303604127 /nfs/dbraw/zinc/60/41/27/1303604127.db2.gz KNSNYHAVQIQZLI-AZUAARDMSA-N 1 3 347.547 3.288 20 10 EGCDHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000772998428 1303604137 /nfs/dbraw/zinc/60/41/37/1303604137.db2.gz KNSNYHAVQIQZLI-AZUAARDMSA-N 1 3 347.547 3.288 20 10 EGCDHO [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000904406455 1317843486 /nfs/dbraw/zinc/84/34/86/1317843486.db2.gz VPEJRAUSLQESKB-INIZCTEOSA-N 1 3 326.440 3.142 20 10 EGCDHO [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000904406455 1317843491 /nfs/dbraw/zinc/84/34/91/1317843491.db2.gz VPEJRAUSLQESKB-INIZCTEOSA-N 1 3 326.440 3.142 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1[O-] ZINC000817980953 1319484257 /nfs/dbraw/zinc/48/42/57/1319484257.db2.gz FWYHDLIBHUJVRD-GMXVVIOVSA-N 1 3 327.266 3.241 20 10 EGCDHO [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841078197 1321214946 /nfs/dbraw/zinc/21/49/46/1321214946.db2.gz GBHZXASGUUKDAA-HXUWFJFHSA-N 1 3 338.451 3.203 20 10 EGCDHO C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000843058751 1321463656 /nfs/dbraw/zinc/46/36/56/1321463656.db2.gz XJEIGSHDXCBLPN-NVXWUHKLSA-N 1 3 326.440 3.140 20 10 EGCDHO C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000843058751 1321463660 /nfs/dbraw/zinc/46/36/60/1321463660.db2.gz XJEIGSHDXCBLPN-NVXWUHKLSA-N 1 3 326.440 3.140 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1[O-] ZINC001205638849 1370823280 /nfs/dbraw/zinc/82/32/80/1370823280.db2.gz SOXRSNNBZRZXCD-DGCLKSJQSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1[O-] ZINC001205638849 1370823283 /nfs/dbraw/zinc/82/32/83/1370823283.db2.gz SOXRSNNBZRZXCD-DGCLKSJQSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[NH+]2CCC(CC[NH3+])CC2)cc1Br ZINC001206506744 1371076850 /nfs/dbraw/zinc/07/68/50/1371076850.db2.gz NQJQVUBWDXCHFD-UHFFFAOYSA-N 1 3 327.266 3.024 20 10 EGCDHO COc1ccc2c(c1)c1c(n2C)CCN(C2CCC3(C[NH2+]C3)CC2)C1 ZINC001246822467 1377055270 /nfs/dbraw/zinc/05/52/70/1377055270.db2.gz LFDONPZBSJYBSV-UHFFFAOYSA-N 1 3 339.483 3.077 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC(F)(F)[C@H](C)C3)cc2)CC1 ZINC001140302468 1378042927 /nfs/dbraw/zinc/04/29/27/1378042927.db2.gz RRWUNWWXKFOHNJ-MRXNPFEDSA-N 1 3 337.458 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC(F)(F)[C@H](C)C3)cc2)CC1 ZINC001140302468 1378042928 /nfs/dbraw/zinc/04/29/28/1378042928.db2.gz RRWUNWWXKFOHNJ-MRXNPFEDSA-N 1 3 337.458 3.306 20 10 EGCDHO Oc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC001141159463 1378254698 /nfs/dbraw/zinc/25/46/98/1378254698.db2.gz GVGQICXRLNISDB-OAQYLSRUSA-N 1 3 338.451 3.196 20 10 EGCDHO Oc1ccc(O)c(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC001141159463 1378254704 /nfs/dbraw/zinc/25/47/04/1378254704.db2.gz GVGQICXRLNISDB-OAQYLSRUSA-N 1 3 338.451 3.196 20 10 EGCDHO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000183723613 455323371 /nfs/dbraw/zinc/32/33/71/455323371.db2.gz CSLDNUFOMQPZEA-VQIMIIECSA-N 1 3 340.467 3.200 20 10 EGCDHO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000183723613 455323375 /nfs/dbraw/zinc/32/33/75/455323375.db2.gz CSLDNUFOMQPZEA-VQIMIIECSA-N 1 3 340.467 3.200 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+](C)CC2CC[NH+](C)CC2)c1[O-] ZINC000158032931 1294194554 /nfs/dbraw/zinc/19/45/54/1294194554.db2.gz FFMZOYFAHQPJPA-UHFFFAOYSA-N 1 3 341.293 3.237 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1[O-] ZINC000158032931 1294194555 /nfs/dbraw/zinc/19/45/55/1294194555.db2.gz FFMZOYFAHQPJPA-UHFFFAOYSA-N 1 3 341.293 3.237 20 10 EGCDHO C[NH+]1CCC(NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000796255457 1309945515 /nfs/dbraw/zinc/94/55/15/1309945515.db2.gz DGJGSFCGBTTXME-UHFFFAOYSA-N 1 3 335.495 3.433 20 10 EGCDHO CN(C)c1ccc([C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000902517351 1317585921 /nfs/dbraw/zinc/58/59/21/1317585921.db2.gz KKRWGBRRWVNXMT-ACRUOGEOSA-N 1 3 338.499 3.090 20 10 EGCDHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)cc2F)C[C@@H](C)O1 ZINC000817887903 1319451908 /nfs/dbraw/zinc/45/19/08/1319451908.db2.gz GRZXMFBFBQXSEQ-VVWQDTPRSA-N 1 3 349.494 3.189 20 10 EGCDHO CC[NH2+]CC1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000843055019 1321462775 /nfs/dbraw/zinc/46/27/75/1321462775.db2.gz DDWQIUCHXPDFNN-UHFFFAOYSA-N 1 3 341.293 3.285 20 10 EGCDHO Oc1ccc(-c2ccc(F)cc2)cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032895 1376831914 /nfs/dbraw/zinc/83/19/14/1376831914.db2.gz MODWDSNTUYNDAX-FQEVSTJZSA-N 1 3 326.415 3.384 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032895 1376831918 /nfs/dbraw/zinc/83/19/18/1376831918.db2.gz MODWDSNTUYNDAX-FQEVSTJZSA-N 1 3 326.415 3.384 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032895 1376831922 /nfs/dbraw/zinc/83/19/22/1376831922.db2.gz MODWDSNTUYNDAX-FQEVSTJZSA-N 1 3 326.415 3.384 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(F)F)C3)cc2)CC1 ZINC001140304561 1378042931 /nfs/dbraw/zinc/04/29/31/1378042931.db2.gz UXEVFNXJBIDSSP-QGZVFWFLSA-N 1 3 337.458 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(F)F)C3)cc2)CC1 ZINC001140304561 1378042932 /nfs/dbraw/zinc/04/29/32/1378042932.db2.gz UXEVFNXJBIDSSP-QGZVFWFLSA-N 1 3 337.458 3.306 20 10 EGCDHO CCN(Cc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccccn1 ZINC001140306598 1378043893 /nfs/dbraw/zinc/04/38/93/1378043893.db2.gz VAZMMMFWRQCLAL-UHFFFAOYSA-N 1 3 338.499 3.246 20 10 EGCDHO COc1ccc(N2CCC([NH2+]C[C@@H](C)CN3CCCCC3)CC2)cc1 ZINC000125604836 454834365 /nfs/dbraw/zinc/83/43/65/454834365.db2.gz UPAMHAVRVICYGS-GOSISDBHSA-N 1 3 345.531 3.376 20 10 EGCDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000178035579 454929089 /nfs/dbraw/zinc/92/90/89/454929089.db2.gz SVSUOENXDZIKRF-KURKYZTESA-N 1 3 333.520 3.293 20 10 EGCDHO CC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271510246 455665184 /nfs/dbraw/zinc/66/51/84/455665184.db2.gz NVSGLYPDNPDXCF-ACRUOGEOSA-N 1 3 345.531 3.171 20 10 EGCDHO COc1cc(C)cc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000894433827 1308882465 /nfs/dbraw/zinc/88/24/65/1308882465.db2.gz DKBBFRKPYHRCOK-HOTGVXAUSA-N 1 3 332.488 3.452 20 10 EGCDHO COc1cc(C)cc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000894433827 1308882478 /nfs/dbraw/zinc/88/24/78/1308882478.db2.gz DKBBFRKPYHRCOK-HOTGVXAUSA-N 1 3 332.488 3.452 20 10 EGCDHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858491001 1328777761 /nfs/dbraw/zinc/77/77/61/1328777761.db2.gz UYGPGQQVJRJBOI-IRXDYDNUSA-N 1 3 349.494 3.045 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+]C2CCC([NH3+])CC2)c1[O-] ZINC000817947509 1319473450 /nfs/dbraw/zinc/47/34/50/1319473450.db2.gz OUXRISKDMGANCW-PKSQDBQZSA-N 1 3 327.266 3.384 20 10 EGCDHO CN1CCC[C@]2(CC[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087428 1321025590 /nfs/dbraw/zinc/02/55/90/1321025590.db2.gz SFSVWJBMAFTADP-FQEVSTJZSA-N 1 3 332.488 3.313 20 10 EGCDHO CN1CCC[C@]2(CC[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087428 1321025596 /nfs/dbraw/zinc/02/55/96/1321025596.db2.gz SFSVWJBMAFTADP-FQEVSTJZSA-N 1 3 332.488 3.313 20 10 EGCDHO [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000841085335 1321216236 /nfs/dbraw/zinc/21/62/36/1321216236.db2.gz ZLCJTZSZGPJFIT-WMZOPIPTSA-N 1 3 326.440 3.188 20 10 EGCDHO Oc1ccc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1O ZINC001203880516 1370298238 /nfs/dbraw/zinc/29/82/38/1370298238.db2.gz URIAUXZFRIHWTG-UHFFFAOYSA-N 1 3 338.451 3.196 20 10 EGCDHO CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccccc1[O-] ZINC001138773175 1377782476 /nfs/dbraw/zinc/78/24/76/1377782476.db2.gz UVTHSNJTYMJRLW-UHFFFAOYSA-N 1 3 328.456 3.355 20 10 EGCDHO CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccccc1[O-] ZINC001138773175 1377782479 /nfs/dbraw/zinc/78/24/79/1377782479.db2.gz UVTHSNJTYMJRLW-UHFFFAOYSA-N 1 3 328.456 3.355 20 10 EGCDHO COc1cc(C[N@H+](C)CCc2ccc(F)cc2)cc(C[NH+](C)C)c1[O-] ZINC001139258810 1377857962 /nfs/dbraw/zinc/85/79/62/1377857962.db2.gz XARQLJJBFWKYEK-UHFFFAOYSA-N 1 3 346.446 3.276 20 10 EGCDHO COc1cc(C[N@@H+](C)CCc2ccc(F)cc2)cc(C[NH+](C)C)c1[O-] ZINC001139258810 1377857966 /nfs/dbraw/zinc/85/79/66/1377857966.db2.gz XARQLJJBFWKYEK-UHFFFAOYSA-N 1 3 346.446 3.276 20 10 EGCDHO CCN1CCN(c2ccc(C[NH+]3CC(c4ccccc4)C3)cc2)CC1 ZINC001140306928 1378044151 /nfs/dbraw/zinc/04/41/51/1378044151.db2.gz ZTNUFCQPJVJVEG-UHFFFAOYSA-N 1 3 335.495 3.428 20 10 EGCDHO [NH3+]C1CCN(c2cccc(NCc3cc4ccccc4cc3O)n2)CC1 ZINC001160206967 1382033385 /nfs/dbraw/zinc/03/33/85/1382033385.db2.gz QQFSYJIMQBBYPR-UHFFFAOYSA-N 1 3 348.450 3.480 20 10 EGCDHO COCCC[NH+]1CCC(N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001172255552 1384757334 /nfs/dbraw/zinc/75/73/34/1384757334.db2.gz VRZLHVWPQKHCQJ-UHFFFAOYSA-N 1 3 345.531 3.220 20 10 EGCDHO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000183723597 455323207 /nfs/dbraw/zinc/32/32/07/455323207.db2.gz CSLDNUFOMQPZEA-QFBILLFUSA-N 1 3 340.467 3.200 20 10 EGCDHO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000183723597 455323210 /nfs/dbraw/zinc/32/32/10/455323210.db2.gz CSLDNUFOMQPZEA-QFBILLFUSA-N 1 3 340.467 3.200 20 10 EGCDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCSCC3)cc2)[C@H](C)C1 ZINC000163596153 1294336744 /nfs/dbraw/zinc/33/67/44/1294336744.db2.gz DQATYYPPIGOIAF-VQIMIIECSA-N 1 3 333.545 3.060 20 10 EGCDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCSCC3)cc2)[C@H](C)C1 ZINC000163596153 1294336750 /nfs/dbraw/zinc/33/67/50/1294336750.db2.gz DQATYYPPIGOIAF-VQIMIIECSA-N 1 3 333.545 3.060 20 10 EGCDHO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000708563437 1298244094 /nfs/dbraw/zinc/24/40/94/1298244094.db2.gz XIECOEQKFSIEQX-VQIMIIECSA-N 1 3 340.467 3.259 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1[O-] ZINC000817980957 1319484488 /nfs/dbraw/zinc/48/44/88/1319484488.db2.gz FWYHDLIBHUJVRD-GVXVVHGQSA-N 1 3 327.266 3.241 20 10 EGCDHO C[NH2+]CC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000843049484 1321460902 /nfs/dbraw/zinc/46/09/02/1321460902.db2.gz NDZYFSKLGRTOEZ-UHFFFAOYSA-N 1 3 346.475 3.017 20 10 EGCDHO CN(C)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000850361894 1322234238 /nfs/dbraw/zinc/23/42/38/1322234238.db2.gz GCCMNNOPAJFSRB-UHFFFAOYSA-N 1 3 338.499 3.149 20 10 EGCDHO [NH3+][C@@H]1CCCN(Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001205124414 1370658033 /nfs/dbraw/zinc/65/80/33/1370658033.db2.gz QTWNIWJIEGYTPH-GOSISDBHSA-N 1 3 326.440 3.284 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1[O-] ZINC001205638850 1370822990 /nfs/dbraw/zinc/82/29/90/1370822990.db2.gz SOXRSNNBZRZXCD-WCQYABFASA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1[O-] ZINC001205638850 1370822993 /nfs/dbraw/zinc/82/29/93/1370822993.db2.gz SOXRSNNBZRZXCD-WCQYABFASA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Br ZINC001206325294 1371023761 /nfs/dbraw/zinc/02/37/61/1371023761.db2.gz HHGTVWOYKRXOKC-INIZCTEOSA-N 1 3 341.293 3.414 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Br ZINC001206325294 1371023765 /nfs/dbraw/zinc/02/37/65/1371023765.db2.gz HHGTVWOYKRXOKC-INIZCTEOSA-N 1 3 341.293 3.414 20 10 EGCDHO C[N@@H+](Cc1cc(O)ccc1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001141161378 1378254297 /nfs/dbraw/zinc/25/42/97/1378254297.db2.gz QXXICEXCDSYXON-KRWDZBQOSA-N 1 3 326.440 3.052 20 10 EGCDHO C[N@H+](Cc1cc(O)ccc1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001141161378 1378254301 /nfs/dbraw/zinc/25/43/01/1378254301.db2.gz QXXICEXCDSYXON-KRWDZBQOSA-N 1 3 326.440 3.052 20 10 EGCDHO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](N(C)C)CC3)cc2)CC1 ZINC000296126993 455869444 /nfs/dbraw/zinc/86/94/44/455869444.db2.gz WJCFKBMCDRZJGB-LJQANCHMSA-N 1 3 345.531 3.218 20 10 EGCDHO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](N(C)C)CC3)cc2)CC1 ZINC000296126993 455869448 /nfs/dbraw/zinc/86/94/48/455869448.db2.gz WJCFKBMCDRZJGB-LJQANCHMSA-N 1 3 345.531 3.218 20 10 EGCDHO COc1ccc(N2CCN(CCCNc3cc[nH+]c(C)c3)CC2)cc1 ZINC000302208898 456318203 /nfs/dbraw/zinc/31/82/03/456318203.db2.gz BIMPKQVYIANSAE-UHFFFAOYSA-N 1 3 340.471 3.023 20 10 EGCDHO CCN(CC)c1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762481799 1301688073 /nfs/dbraw/zinc/68/80/73/1301688073.db2.gz RCXDIOGATYYOMU-SFHVURJKSA-N 1 3 333.520 3.123 20 10 EGCDHO CCN(CC)c1ccc(CNCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762481799 1301688079 /nfs/dbraw/zinc/68/80/79/1301688079.db2.gz RCXDIOGATYYOMU-SFHVURJKSA-N 1 3 333.520 3.123 20 10 EGCDHO C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000765608658 1302290008 /nfs/dbraw/zinc/29/00/08/1302290008.db2.gz IQWKOQMCMPDRKX-MRXNPFEDSA-N 1 3 340.467 3.413 20 10 EGCDHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858490999 1328778334 /nfs/dbraw/zinc/77/83/34/1328778334.db2.gz UYGPGQQVJRJBOI-DLBZAZTESA-N 1 3 349.494 3.045 20 10 EGCDHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841027968 1321203331 /nfs/dbraw/zinc/20/33/31/1321203331.db2.gz HYJBEODGGIVLJA-DLBZAZTESA-N 1 3 346.475 3.192 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1[O-] ZINC000841030005 1321203616 /nfs/dbraw/zinc/20/36/16/1321203616.db2.gz IYYQTQXNNYHGQO-FZMZJTMJSA-N 1 3 327.266 3.070 20 10 EGCDHO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000841056747 1321211163 /nfs/dbraw/zinc/21/11/63/1321211163.db2.gz CTWVVWMBOADQHR-MSOLQXFVSA-N 1 3 326.440 3.331 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1[O-] ZINC000843112569 1321472754 /nfs/dbraw/zinc/47/27/54/1321472754.db2.gz HPQAFTZSZHQABL-GFCCVEGCSA-N 1 3 327.266 3.024 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1[O-] ZINC000843112569 1321472757 /nfs/dbraw/zinc/47/27/57/1321472757.db2.gz HPQAFTZSZHQABL-GFCCVEGCSA-N 1 3 327.266 3.024 20 10 EGCDHO CN(C)c1cc(F)c(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000862367765 1329478386 /nfs/dbraw/zinc/47/83/86/1329478386.db2.gz UVDIDBNDVCDHDE-OAHLLOKOSA-N 1 3 337.458 3.195 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Br ZINC001205652392 1370829282 /nfs/dbraw/zinc/82/92/82/1370829282.db2.gz PJEZJDZQQAGDAW-YPMHNXCESA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Br ZINC001205652392 1370829284 /nfs/dbraw/zinc/82/92/84/1370829284.db2.gz PJEZJDZQQAGDAW-YPMHNXCESA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c([O-])cc1Br ZINC001206037093 1370945943 /nfs/dbraw/zinc/94/59/43/1370945943.db2.gz UPDWJUAXDXXGDC-CHWSQXEVSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c([O-])cc1Br ZINC001206037093 1370945941 /nfs/dbraw/zinc/94/59/41/1370945941.db2.gz UPDWJUAXDXXGDC-CHWSQXEVSA-N 1 3 341.293 3.270 20 10 EGCDHO COc1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1[O-] ZINC000093769333 454735295 /nfs/dbraw/zinc/73/52/95/454735295.db2.gz WDDYPQGPULMRGJ-UHFFFAOYSA-N 1 3 332.488 3.489 20 10 EGCDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000269055321 455777009 /nfs/dbraw/zinc/77/70/09/455777009.db2.gz SALSOBALTYUUNH-GOSISDBHSA-N 1 3 345.531 3.174 20 10 EGCDHO COc1cccc([O-])c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000769516092 1303133607 /nfs/dbraw/zinc/13/36/07/1303133607.db2.gz YPJUGINEZDPULF-UHFFFAOYSA-N 1 3 332.488 3.489 20 10 EGCDHO CC[C@@H](N)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841072063 1321214243 /nfs/dbraw/zinc/21/42/43/1321214243.db2.gz MDSJSEODVNEYLV-CQSZACIVSA-N 1 3 340.309 3.266 20 10 EGCDHO [NH3+]CC[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843113602 1321472491 /nfs/dbraw/zinc/47/24/91/1321472491.db2.gz YLBWGWCRTAOYKL-MRXNPFEDSA-N 1 3 346.475 3.146 20 10 EGCDHO CCN(CC)c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000848527917 1321969519 /nfs/dbraw/zinc/96/95/19/1321969519.db2.gz IDVJCMLCONORIQ-GOSISDBHSA-N 1 3 349.494 3.015 20 10 EGCDHO [O-]c1cccc2c1[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000850512743 1322259618 /nfs/dbraw/zinc/25/96/18/1322259618.db2.gz AOROBBLLNAHRLC-IBGZPJMESA-N 1 3 337.467 3.276 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235943893 1376919947 /nfs/dbraw/zinc/91/99/47/1376919947.db2.gz ZSIFTAQBXFRTFP-FUHWJXTLSA-N 1 3 326.415 3.240 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235943893 1376919952 /nfs/dbraw/zinc/91/99/52/1376919952.db2.gz ZSIFTAQBXFRTFP-FUHWJXTLSA-N 1 3 326.415 3.240 20 10 EGCDHO COc1ccc(N2CCC([NH2+]C[C@H](C)CN3CCCCC3)CC2)cc1 ZINC000125604574 454834382 /nfs/dbraw/zinc/83/43/82/454834382.db2.gz UPAMHAVRVICYGS-SFHVURJKSA-N 1 3 345.531 3.376 20 10 EGCDHO CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C)cc1[O-] ZINC000280189003 455912553 /nfs/dbraw/zinc/91/25/53/455912553.db2.gz SCIQLWBBVBHYFB-LJQANCHMSA-N 1 3 333.520 3.015 20 10 EGCDHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000766027901 1302372837 /nfs/dbraw/zinc/37/28/37/1302372837.db2.gz AFQATQFDLCJTLM-GHTZIAJQSA-N 1 3 347.547 3.288 20 10 EGCDHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000766027901 1302372848 /nfs/dbraw/zinc/37/28/48/1302372848.db2.gz AFQATQFDLCJTLM-GHTZIAJQSA-N 1 3 347.547 3.288 20 10 EGCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2F)C[C@H](C)O1 ZINC000817888393 1319451883 /nfs/dbraw/zinc/45/18/83/1319451883.db2.gz LBTPEZJTPSQDCX-LORHWOILSA-N 1 3 349.494 3.046 20 10 EGCDHO Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c([O-])cc1Br ZINC001206037100 1370945898 /nfs/dbraw/zinc/94/58/98/1370945898.db2.gz UPDWJUAXDXXGDC-STQMWFEESA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c([O-])cc1Br ZINC001206037100 1370945902 /nfs/dbraw/zinc/94/59/02/1370945902.db2.gz UPDWJUAXDXXGDC-STQMWFEESA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)c([O-])cc1Br ZINC001206506810 1371076718 /nfs/dbraw/zinc/07/67/18/1371076718.db2.gz QWHWNTZFKXSJEO-UHFFFAOYSA-N 1 3 327.266 3.024 20 10 EGCDHO CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cc(F)ccc1[O-] ZINC001140059160 1377998343 /nfs/dbraw/zinc/99/83/43/1377998343.db2.gz WIVQIPOURDTAHT-UHFFFAOYSA-N 1 3 339.499 3.017 20 10 EGCDHO CCN([C@H]1CCOC1)C1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140182500 1378027292 /nfs/dbraw/zinc/02/72/92/1378027292.db2.gz SRNDXVXMTYPRRO-SFHVURJKSA-N 1 3 332.488 3.084 20 10 EGCDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC000366545712 457847414 /nfs/dbraw/zinc/84/74/14/457847414.db2.gz LAIDNZVEMASRCL-BSIFCXSSSA-N 1 3 340.467 3.229 20 10 EGCDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC000366545712 457847416 /nfs/dbraw/zinc/84/74/16/457847416.db2.gz LAIDNZVEMASRCL-BSIFCXSSSA-N 1 3 340.467 3.229 20 10 EGCDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808701875 1317718709 /nfs/dbraw/zinc/71/87/09/1317718709.db2.gz LCHRMQIWYUJROK-ZFWWWQNUSA-N 1 3 328.884 3.361 20 10 EGCDHO [O-]c1ccc2ccc(O)c(C[NH+]3CCCC3)c2c1C[NH+]1CCCC1 ZINC000914781544 1319376137 /nfs/dbraw/zinc/37/61/37/1319376137.db2.gz CKXQBEUWGYCXPO-UHFFFAOYSA-N 1 3 326.440 3.443 20 10 EGCDHO [O-]c1ccccc1C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000843356699 1321505133 /nfs/dbraw/zinc/50/51/33/1321505133.db2.gz WIQYAJSUKYIKGU-IBGZPJMESA-N 1 3 332.488 3.153 20 10 EGCDHO [O-]c1ccccc1C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000843356699 1321505138 /nfs/dbraw/zinc/50/51/38/1321505138.db2.gz WIQYAJSUKYIKGU-IBGZPJMESA-N 1 3 332.488 3.153 20 10 EGCDHO Cc1ccc([C@H](C)NCc2ccncc2OCCC[NH+](C)C)c(O)c1 ZINC000290348003 456300719 /nfs/dbraw/zinc/30/07/19/456300719.db2.gz PWIUBSMIOKLNND-INIZCTEOSA-N 1 3 343.471 3.277 20 10 EGCDHO C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cc(F)ccc1[O-] ZINC000756551008 1300520236 /nfs/dbraw/zinc/52/02/36/1300520236.db2.gz VTLYTMMDBLHDDU-OAHLLOKOSA-N 1 3 346.446 3.365 20 10 EGCDHO CC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccc(C)cc1O ZINC000794811689 1309600301 /nfs/dbraw/zinc/60/03/01/1309600301.db2.gz YBNCOCQGSUBSBM-MJGOQNOKSA-N 1 3 333.520 3.015 20 10 EGCDHO CN1CCCc2cc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccc21 ZINC000817901419 1319455032 /nfs/dbraw/zinc/45/50/32/1319455032.db2.gz VFZJMTULWRLSRN-VAMGGRTRSA-N 1 3 327.516 3.469 20 10 EGCDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897898 1319455114 /nfs/dbraw/zinc/45/51/14/1319455114.db2.gz XQEBCTHQYZZNOG-NDXORKPFSA-N 1 3 345.531 3.297 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1[O-] ZINC000841030008 1321203090 /nfs/dbraw/zinc/20/30/90/1321203090.db2.gz IYYQTQXNNYHGQO-RISCZKNCSA-N 1 3 327.266 3.070 20 10 EGCDHO [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841078196 1321214809 /nfs/dbraw/zinc/21/48/09/1321214809.db2.gz GBHZXASGUUKDAA-FQEVSTJZSA-N 1 3 338.451 3.203 20 10 EGCDHO Cc1cc(Br)cc(C[NH+]2CCC(CC[NH3+])CC2)c1[O-] ZINC000844912380 1321657700 /nfs/dbraw/zinc/65/77/00/1321657700.db2.gz SYEFQOTVBSFXAF-UHFFFAOYSA-N 1 3 327.266 3.024 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140301843 1378043054 /nfs/dbraw/zinc/04/30/54/1378043054.db2.gz BABDVUGDKQONFS-WOJBJXKFSA-N 1 3 327.516 3.451 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140301843 1378043057 /nfs/dbraw/zinc/04/30/57/1378043057.db2.gz BABDVUGDKQONFS-WOJBJXKFSA-N 1 3 327.516 3.451 20 10 EGCDHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 ZINC001322376292 1387174815 /nfs/dbraw/zinc/17/48/15/1387174815.db2.gz OVEHFCJFXBUUJL-RTBURBONSA-N 1 3 345.531 3.266 20 10 EGCDHO CCN(C)c1ccc([C@@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000159076188 455349767 /nfs/dbraw/zinc/34/97/67/455349767.db2.gz WVDQLHOAXBGKLD-QGZVFWFLSA-N 1 3 333.520 3.294 20 10 EGCDHO C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(F)ccc1[O-] ZINC000185055301 455492757 /nfs/dbraw/zinc/49/27/57/455492757.db2.gz NYDJVDMYQQDSQC-AWEZNQCLSA-N 1 3 332.419 3.323 20 10 EGCDHO Cc1ccc(O)c([C@H](C)NCc2ccncc2OCCC[NH+](C)C)c1 ZINC000290201543 456266622 /nfs/dbraw/zinc/26/66/22/456266622.db2.gz GRXMINUVKUCSQM-INIZCTEOSA-N 1 3 343.471 3.277 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1[O-] ZINC000873293595 1297415247 /nfs/dbraw/zinc/41/52/47/1297415247.db2.gz NMABMAUTDCMQLF-DZGCQCFKSA-N 1 3 338.879 3.163 20 10 EGCDHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000772998430 1303603697 /nfs/dbraw/zinc/60/36/97/1303603697.db2.gz KNSNYHAVQIQZLI-ICSRJNTNSA-N 1 3 347.547 3.288 20 10 EGCDHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000772998430 1303603702 /nfs/dbraw/zinc/60/37/02/1303603702.db2.gz KNSNYHAVQIQZLI-ICSRJNTNSA-N 1 3 347.547 3.288 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1[O-] ZINC000839183578 1320888996 /nfs/dbraw/zinc/88/89/96/1320888996.db2.gz YTSRHQNDTVMSGE-CYBMUJFWSA-N 1 3 341.293 3.285 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1[O-] ZINC000839183578 1320889001 /nfs/dbraw/zinc/88/90/01/1320889001.db2.gz YTSRHQNDTVMSGE-CYBMUJFWSA-N 1 3 341.293 3.285 20 10 EGCDHO CN1CCCc2cc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc21 ZINC000817901420 1319454783 /nfs/dbraw/zinc/45/47/83/1319454783.db2.gz VFZJMTULWRLSRN-XUVXKRRUSA-N 1 3 327.516 3.469 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1[O-] ZINC000817954811 1319476231 /nfs/dbraw/zinc/47/62/31/1319476231.db2.gz KMHRFANESGEIJU-NWDGAFQWSA-N 1 3 327.266 3.113 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000817976217 1319483933 /nfs/dbraw/zinc/48/39/33/1319483933.db2.gz IHUOLFNPSODFKJ-SMDDNHRTSA-N 1 3 339.277 3.256 20 10 EGCDHO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC000841033495 1321204519 /nfs/dbraw/zinc/20/45/19/1321204519.db2.gz PFJGOXQJMQKIFI-SJLPKXTDSA-N 1 3 340.467 3.449 20 10 EGCDHO CC[NH+]1CCC(N(C)Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076416 1378232400 /nfs/dbraw/zinc/23/24/00/1378232400.db2.gz QZYODQDDTTUBQA-UHFFFAOYSA-N 1 3 327.516 3.302 20 10 EGCDHO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000377905768 458569666 /nfs/dbraw/zinc/56/96/66/458569666.db2.gz UCSNNKWPBVWBOO-CQSZACIVSA-N 1 3 338.879 3.218 20 10 EGCDHO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000377905768 458569668 /nfs/dbraw/zinc/56/96/68/458569668.db2.gz UCSNNKWPBVWBOO-CQSZACIVSA-N 1 3 338.879 3.218 20 10 EGCDHO COc1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000708563431 1298242473 /nfs/dbraw/zinc/24/24/73/1298242473.db2.gz XIECOEQKFSIEQX-APWZRJJASA-N 1 3 340.467 3.259 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1[O-] ZINC000808675549 1317713166 /nfs/dbraw/zinc/71/31/66/1317713166.db2.gz KTVRSPXJXFTAEU-CQSZACIVSA-N 1 3 339.911 3.031 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1[O-] ZINC000808675548 1317713280 /nfs/dbraw/zinc/71/32/80/1317713280.db2.gz KTVRSPXJXFTAEU-AWEZNQCLSA-N 1 3 339.911 3.031 20 10 EGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808701872 1317718573 /nfs/dbraw/zinc/71/85/73/1317718573.db2.gz LCHRMQIWYUJROK-DZGCQCFKSA-N 1 3 328.884 3.361 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1[O-] ZINC000817968221 1319481463 /nfs/dbraw/zinc/48/14/63/1319481463.db2.gz HYEBEMUILXITSL-WCQYABFASA-N 1 3 327.266 3.256 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1[O-] ZINC000817968222 1319481502 /nfs/dbraw/zinc/48/15/02/1319481502.db2.gz HYEBEMUILXITSL-YPMHNXCESA-N 1 3 327.266 3.256 20 10 EGCDHO C[C@@H]([NH3+])C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000843048482 1321461075 /nfs/dbraw/zinc/46/10/75/1321461075.db2.gz BLHWBIVMDZFCKV-OAHLLOKOSA-N 1 3 346.475 3.144 20 10 EGCDHO C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1[O-] ZINC000850516382 1322259450 /nfs/dbraw/zinc/25/94/50/1322259450.db2.gz DOFAPGCQZSCYKA-MRXNPFEDSA-N 1 3 325.456 3.350 20 10 EGCDHO [O-]c1cccc2c1[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000850512745 1322260207 /nfs/dbraw/zinc/26/02/07/1322260207.db2.gz AOROBBLLNAHRLC-LJQANCHMSA-N 1 3 337.467 3.276 20 10 EGCDHO CC(C)(C)N1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850565166 1322269512 /nfs/dbraw/zinc/26/95/12/1322269512.db2.gz BULUVXUGKUEFBT-UHFFFAOYSA-N 1 3 345.531 3.000 20 10 EGCDHO Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c([O-])cc1Br ZINC001205666062 1370834868 /nfs/dbraw/zinc/83/48/68/1370834868.db2.gz ZGYPKMKKSMADIN-AAEUAGOBSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c([O-])cc1Br ZINC001205666062 1370834871 /nfs/dbraw/zinc/83/48/71/1370834871.db2.gz ZGYPKMKKSMADIN-AAEUAGOBSA-N 1 3 341.293 3.270 20 10 EGCDHO CCN(C)c1ccc([C@H](C)[NH2+]CCCCN2CCN(CC)CC2)cc1 ZINC000154465570 454899796 /nfs/dbraw/zinc/89/97/96/454899796.db2.gz SUXRHJHIAQCOBY-IBGZPJMESA-N 1 3 346.563 3.211 20 10 EGCDHO CCCC[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000151803515 455032494 /nfs/dbraw/zinc/03/24/94/455032494.db2.gz NGXJBBIOWZZOJZ-UHFFFAOYSA-N 1 3 334.460 3.065 20 10 EGCDHO CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000151803515 455032496 /nfs/dbraw/zinc/03/24/96/455032496.db2.gz NGXJBBIOWZZOJZ-UHFFFAOYSA-N 1 3 334.460 3.065 20 10 EGCDHO C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297791863 456295616 /nfs/dbraw/zinc/29/56/16/456295616.db2.gz QAFTVUVMDSCAEX-LJQANCHMSA-N 1 3 340.467 3.152 20 10 EGCDHO C[C@@H]([NH3+])C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000843048576 1321461414 /nfs/dbraw/zinc/46/14/14/1321461414.db2.gz HZEFZENUQAWPJO-GFCCVEGCSA-N 1 3 329.410 3.331 20 10 EGCDHO CN(C)c1ccc(CN2CCC3(CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000843126321 1321474414 /nfs/dbraw/zinc/47/44/14/1321474414.db2.gz JDTDQPAIRTYECE-UHFFFAOYSA-N 1 3 341.421 3.347 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1[O-] ZINC001205578884 1370798776 /nfs/dbraw/zinc/79/87/76/1370798776.db2.gz JMWCYNYDBNITMQ-HNNXBMFYSA-N 1 3 345.256 3.116 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1[O-] ZINC001205578884 1370798779 /nfs/dbraw/zinc/79/87/79/1370798779.db2.gz JMWCYNYDBNITMQ-HNNXBMFYSA-N 1 3 345.256 3.116 20 10 EGCDHO Cc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c([O-])cc1Br ZINC001206338214 1371027196 /nfs/dbraw/zinc/02/71/96/1371027196.db2.gz YGLNQOGJONYVEU-INIZCTEOSA-N 1 3 341.293 3.414 20 10 EGCDHO Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c([O-])cc1Br ZINC001206338214 1371027201 /nfs/dbraw/zinc/02/72/01/1371027201.db2.gz YGLNQOGJONYVEU-INIZCTEOSA-N 1 3 341.293 3.414 20 10 EGCDHO CCN1CCN(c2ccc(O[C@@H]3C[NH2+]Cc4ccccc43)cc2)CC1 ZINC001218493787 1373624986 /nfs/dbraw/zinc/62/49/86/1373624986.db2.gz YDKZUVUNPUMZRL-OAQYLSRUSA-N 1 3 337.467 3.052 20 10 EGCDHO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272702638 456045778 /nfs/dbraw/zinc/04/57/78/456045778.db2.gz YYEUNYSLSFYJRC-SJLPKXTDSA-N 1 3 340.467 3.401 20 10 EGCDHO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272702637 456045895 /nfs/dbraw/zinc/04/58/95/456045895.db2.gz YYEUNYSLSFYJRC-FUHWJXTLSA-N 1 3 340.467 3.401 20 10 EGCDHO Cc1cc(Br)cc(CN(C)CC[C@@H]([NH3+])C(C)C)c1O ZINC000843056577 1321463147 /nfs/dbraw/zinc/46/31/47/1321463147.db2.gz RAUFLPFOTPDBFA-CQSZACIVSA-N 1 3 329.282 3.268 20 10 EGCDHO C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cc(F)ccc1[O-] ZINC000756551006 1300520707 /nfs/dbraw/zinc/52/07/07/1300520707.db2.gz VTLYTMMDBLHDDU-HNNXBMFYSA-N 1 3 346.446 3.365 20 10 EGCDHO C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762648597 1301721145 /nfs/dbraw/zinc/72/11/45/1301721145.db2.gz JYTWLMIZZZQCMS-KBPBESRZSA-N 1 3 326.868 3.197 20 10 EGCDHO C[NH+](Cc1c([O-])ccc2c1ccc(O)c2C[N@@H+](C)C1CC1)C1CC1 ZINC000902048532 1317513257 /nfs/dbraw/zinc/51/32/57/1317513257.db2.gz IDIFHEDSDOXEKE-UHFFFAOYSA-N 1 3 326.440 3.439 20 10 EGCDHO C[NH+](Cc1c([O-])ccc2c1ccc(O)c2C[N@H+](C)C1CC1)C1CC1 ZINC000902048532 1317513261 /nfs/dbraw/zinc/51/32/61/1317513261.db2.gz IDIFHEDSDOXEKE-UHFFFAOYSA-N 1 3 326.440 3.439 20 10 EGCDHO C[NH+](Cc1c(O)ccc2c1ccc([O-])c2C[N@H+](C)C1CC1)C1CC1 ZINC000902048532 1317513266 /nfs/dbraw/zinc/51/32/66/1317513266.db2.gz IDIFHEDSDOXEKE-UHFFFAOYSA-N 1 3 326.440 3.439 20 10 EGCDHO C[NH+](Cc1c(O)ccc2c1ccc([O-])c2C[N@@H+](C)C1CC1)C1CC1 ZINC000902048532 1317513273 /nfs/dbraw/zinc/51/32/73/1317513273.db2.gz IDIFHEDSDOXEKE-UHFFFAOYSA-N 1 3 326.440 3.439 20 10 EGCDHO CCN1CC[NH+](CCCC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816535009 1319177613 /nfs/dbraw/zinc/17/76/13/1319177613.db2.gz BYRPPWCHMYWEQQ-UHFFFAOYSA-N 1 3 341.499 3.053 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1[O-] ZINC000841032001 1321204277 /nfs/dbraw/zinc/20/42/77/1321204277.db2.gz FVKDGKYXDOYOHC-UHFFFAOYSA-N 1 3 349.272 3.254 20 10 EGCDHO C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000843058753 1321463845 /nfs/dbraw/zinc/46/38/45/1321463845.db2.gz XJEIGSHDXCBLPN-WBVHZDCISA-N 1 3 326.440 3.140 20 10 EGCDHO C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000843058753 1321463847 /nfs/dbraw/zinc/46/38/47/1321463847.db2.gz XJEIGSHDXCBLPN-WBVHZDCISA-N 1 3 326.440 3.140 20 10 EGCDHO [NH3+]CC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843113601 1321472579 /nfs/dbraw/zinc/47/25/79/1321472579.db2.gz YLBWGWCRTAOYKL-INIZCTEOSA-N 1 3 346.475 3.146 20 10 EGCDHO [NH3+]CCC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000844909466 1321656757 /nfs/dbraw/zinc/65/67/57/1321656757.db2.gz CQSWVBLOVHFHJL-UHFFFAOYSA-N 1 3 346.475 3.146 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206024087 1370941472 /nfs/dbraw/zinc/94/14/72/1370941472.db2.gz HPTIKJNDIDJNLH-CHWSQXEVSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206024087 1370941475 /nfs/dbraw/zinc/94/14/75/1370941475.db2.gz HPTIKJNDIDJNLH-CHWSQXEVSA-N 1 3 341.293 3.270 20 10 EGCDHO COCCN(Cc1ccc(N(C)C)c2ccccc12)C1CC[NH2+]CC1 ZINC001235946765 1376922252 /nfs/dbraw/zinc/92/22/52/1376922252.db2.gz RYBJEPWZHWPFAR-UHFFFAOYSA-N 1 3 341.499 3.106 20 10 EGCDHO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCN(C(C)C)C3)CC2)cc1 ZINC000125847948 454851399 /nfs/dbraw/zinc/85/13/99/454851399.db2.gz QLKKVJIYNSLYFT-SFHVURJKSA-N 1 3 345.531 3.374 20 10 EGCDHO CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C)cc1[O-] ZINC000280188997 455912564 /nfs/dbraw/zinc/91/25/64/455912564.db2.gz SCIQLWBBVBHYFB-IBGZPJMESA-N 1 3 333.520 3.015 20 10 EGCDHO C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762648908 1301720421 /nfs/dbraw/zinc/72/04/21/1301720421.db2.gz JYTWLMIZZZQCMS-ZIAGYGMSSA-N 1 3 326.868 3.197 20 10 EGCDHO CC[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccc(C)cc1O ZINC000794811690 1309599549 /nfs/dbraw/zinc/59/95/49/1309599549.db2.gz YBNCOCQGSUBSBM-PKOBYXMFSA-N 1 3 333.520 3.015 20 10 EGCDHO COc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)c([O-])c1OC ZINC000896027207 1309659332 /nfs/dbraw/zinc/65/93/32/1309659332.db2.gz HMZHNTQPJPRSJN-UHFFFAOYSA-N 1 3 336.476 3.107 20 10 EGCDHO COc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c([O-])c1OC ZINC000896027207 1309659335 /nfs/dbraw/zinc/65/93/35/1309659335.db2.gz HMZHNTQPJPRSJN-UHFFFAOYSA-N 1 3 336.476 3.107 20 10 EGCDHO CN1CCC[C@@]2(CC[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087430 1321025825 /nfs/dbraw/zinc/02/58/25/1321025825.db2.gz SFSVWJBMAFTADP-HXUWFJFHSA-N 1 3 332.488 3.313 20 10 EGCDHO CN1CCC[C@@]2(CC[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)C1 ZINC000840087430 1321025826 /nfs/dbraw/zinc/02/58/26/1321025826.db2.gz SFSVWJBMAFTADP-HXUWFJFHSA-N 1 3 332.488 3.313 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC001206011953 1370937955 /nfs/dbraw/zinc/93/79/55/1370937955.db2.gz HUUPXDYXJLUBIR-CHWSQXEVSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC001206011953 1370937958 /nfs/dbraw/zinc/93/79/58/1370937958.db2.gz HUUPXDYXJLUBIR-CHWSQXEVSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1[O-] ZINC001206318061 1371019956 /nfs/dbraw/zinc/01/99/56/1371019956.db2.gz LWGNLMQJVBUZAU-MRXNPFEDSA-N 1 3 341.293 3.414 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1[O-] ZINC001206318061 1371019959 /nfs/dbraw/zinc/01/99/59/1371019959.db2.gz LWGNLMQJVBUZAU-MRXNPFEDSA-N 1 3 341.293 3.414 20 10 EGCDHO CN(C)c1ccc(C[NH2+]CC2=CCN(C)CC2)c(C(F)(F)F)c1 ZINC000280111911 455894967 /nfs/dbraw/zinc/89/49/67/455894967.db2.gz CAFGBIBYQCGPDS-UHFFFAOYSA-N 1 3 327.394 3.123 20 10 EGCDHO COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c2c1 ZINC000129305248 1293620766 /nfs/dbraw/zinc/62/07/66/1293620766.db2.gz YBAHTQMKKLPASR-UZLBHIALSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c2c1 ZINC000129305248 1293620768 /nfs/dbraw/zinc/62/07/68/1293620768.db2.gz YBAHTQMKKLPASR-UZLBHIALSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2c1 ZINC000129305248 1293620770 /nfs/dbraw/zinc/62/07/70/1293620770.db2.gz YBAHTQMKKLPASR-UZLBHIALSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2c1 ZINC000129305248 1293620771 /nfs/dbraw/zinc/62/07/71/1293620771.db2.gz YBAHTQMKKLPASR-UZLBHIALSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1O ZINC000708548863 1298242641 /nfs/dbraw/zinc/24/26/41/1298242641.db2.gz BUKWYEBFERMKPH-LPHOPBHVSA-N 1 3 340.467 3.259 20 10 EGCDHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000776170192 1304106161 /nfs/dbraw/zinc/10/61/61/1304106161.db2.gz ZWBFNDFWKSYORM-HNNXBMFYSA-N 1 3 349.906 3.089 20 10 EGCDHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000776170192 1304106168 /nfs/dbraw/zinc/10/61/68/1304106168.db2.gz ZWBFNDFWKSYORM-HNNXBMFYSA-N 1 3 349.906 3.089 20 10 EGCDHO COc1ccc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1OC ZINC000893488834 1305922259 /nfs/dbraw/zinc/92/22/59/1305922259.db2.gz UGWQMVVMFVBHFT-HOCLYGCPSA-N 1 3 348.487 3.152 20 10 EGCDHO COc1ccc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(O)c1OC ZINC000893488834 1305922269 /nfs/dbraw/zinc/92/22/69/1305922269.db2.gz UGWQMVVMFVBHFT-HOCLYGCPSA-N 1 3 348.487 3.152 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1[O-] ZINC000808693047 1317717148 /nfs/dbraw/zinc/71/71/48/1317717148.db2.gz UUKKULPSZYOGKQ-OAHLLOKOSA-N 1 3 339.911 3.032 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1[O-] ZINC000808693047 1317717151 /nfs/dbraw/zinc/71/71/51/1317717151.db2.gz UUKKULPSZYOGKQ-OAHLLOKOSA-N 1 3 339.911 3.032 20 10 EGCDHO C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000817984776 1319487238 /nfs/dbraw/zinc/48/72/38/1319487238.db2.gz ZRYZMKNGAJUXJT-QGZVFWFLSA-N 1 3 339.483 3.036 20 10 EGCDHO C[C@H]([NH3+])C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000843048577 1321461216 /nfs/dbraw/zinc/46/12/16/1321461216.db2.gz HZEFZENUQAWPJO-LBPRGKRZSA-N 1 3 329.410 3.331 20 10 EGCDHO C[C@@H]1C[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206026273 1370942138 /nfs/dbraw/zinc/94/21/38/1370942138.db2.gz RGEJXZCBXNPROD-NEPJUHHUSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206026273 1370942140 /nfs/dbraw/zinc/94/21/40/1370942140.db2.gz RGEJXZCBXNPROD-NEPJUHHUSA-N 1 3 332.366 3.098 20 10 EGCDHO CCN1CCN(c2ccc(O[C@H]3C[NH2+]Cc4ccccc43)cc2)CC1 ZINC001218493786 1373625564 /nfs/dbraw/zinc/62/55/64/1373625564.db2.gz YDKZUVUNPUMZRL-NRFANRHFSA-N 1 3 337.467 3.052 20 10 EGCDHO Cc1ccc(O)c(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587462 454590569 /nfs/dbraw/zinc/59/05/69/454590569.db2.gz CZXYKBKBCGVREU-IRXDYDNUSA-N 1 3 332.488 3.022 20 10 EGCDHO CCN(C)c1ccc([C@@H](C)[NH2+]CCCCN2CCN(CC)CC2)cc1 ZINC000154465677 454900106 /nfs/dbraw/zinc/90/01/06/454900106.db2.gz SUXRHJHIAQCOBY-LJQANCHMSA-N 1 3 346.563 3.211 20 10 EGCDHO Cc1cc([O-])c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000174101954 455359902 /nfs/dbraw/zinc/35/99/02/455359902.db2.gz SKPNBKPGDMMIDC-UHFFFAOYSA-N 1 3 332.488 3.086 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1[O-] ZINC000808700801 1317717815 /nfs/dbraw/zinc/71/78/15/1317717815.db2.gz LDOHHNYOXNRSTO-CQSZACIVSA-N 1 3 339.911 3.031 20 10 EGCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2F)C[C@H](C)O1 ZINC000817888392 1319451569 /nfs/dbraw/zinc/45/15/69/1319451569.db2.gz LBTPEZJTPSQDCX-JHDROBOHSA-N 1 3 349.494 3.046 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1[O-] ZINC000841030004 1321203313 /nfs/dbraw/zinc/20/33/13/1321203313.db2.gz IYYQTQXNNYHGQO-BXUZGUMPSA-N 1 3 327.266 3.070 20 10 EGCDHO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000841056748 1321211009 /nfs/dbraw/zinc/21/10/09/1321211009.db2.gz CTWVVWMBOADQHR-QZTJIDSGSA-N 1 3 326.440 3.331 20 10 EGCDHO Cc1cc(Br)cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1[O-] ZINC000843048614 1321461425 /nfs/dbraw/zinc/46/14/25/1321461425.db2.gz KYPASBWJDWPJOZ-LLVKDONJSA-N 1 3 327.266 3.022 20 10 EGCDHO [NH3+]CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000843047120 1321461484 /nfs/dbraw/zinc/46/14/84/1321461484.db2.gz HNFQYMVJBPJFMM-UHFFFAOYSA-N 1 3 326.440 3.142 20 10 EGCDHO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843058502 1321464163 /nfs/dbraw/zinc/46/41/63/1321464163.db2.gz UTFXACYBQLUSQU-RDJZCZTQSA-N 1 3 326.440 3.140 20 10 EGCDHO C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843058502 1321464167 /nfs/dbraw/zinc/46/41/67/1321464167.db2.gz UTFXACYBQLUSQU-RDJZCZTQSA-N 1 3 326.440 3.140 20 10 EGCDHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850029409 1322185735 /nfs/dbraw/zinc/18/57/35/1322185735.db2.gz IGKWIRBHUMCCMC-AWEZNQCLSA-N 1 3 332.488 3.272 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235943891 1376920113 /nfs/dbraw/zinc/92/01/13/1376920113.db2.gz ZSIFTAQBXFRTFP-AEFFLSMTSA-N 1 3 326.415 3.240 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235943891 1376920115 /nfs/dbraw/zinc/92/01/15/1376920115.db2.gz ZSIFTAQBXFRTFP-AEFFLSMTSA-N 1 3 326.415 3.240 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140301842 1378042826 /nfs/dbraw/zinc/04/28/26/1378042826.db2.gz BABDVUGDKQONFS-VQTJNVASSA-N 1 3 327.516 3.451 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140301842 1378042827 /nfs/dbraw/zinc/04/28/27/1378042827.db2.gz BABDVUGDKQONFS-VQTJNVASSA-N 1 3 327.516 3.451 20 10 EGCDHO CCN1CCN(c2ccc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)cc2)CC1 ZINC001140301983 1378042963 /nfs/dbraw/zinc/04/29/63/1378042963.db2.gz GOVPCJYHQVUYQY-PMACEKPBSA-N 1 3 327.516 3.451 20 10 EGCDHO CC[NH+]1CCN(c2ccc(CN(C)Cc3cccnc3C)cc2)CC1 ZINC001140309624 1378044344 /nfs/dbraw/zinc/04/43/44/1378044344.db2.gz ODXDRYHNTMKUKN-UHFFFAOYSA-N 1 3 338.499 3.164 20 10 EGCDHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178409670 454953641 /nfs/dbraw/zinc/95/36/41/454953641.db2.gz CNEYTBJOLNBBDL-QGZVFWFLSA-N 1 3 349.494 3.189 20 10 EGCDHO C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762648602 1301721066 /nfs/dbraw/zinc/72/10/66/1301721066.db2.gz JYTWLMIZZZQCMS-UONOGXRCSA-N 1 3 326.868 3.197 20 10 EGCDHO COc1cc(C)cc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000894433826 1308880764 /nfs/dbraw/zinc/88/07/64/1308880764.db2.gz DKBBFRKPYHRCOK-CVEARBPZSA-N 1 3 332.488 3.452 20 10 EGCDHO COc1cc(C)cc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000894433826 1308880778 /nfs/dbraw/zinc/88/07/78/1308880778.db2.gz DKBBFRKPYHRCOK-CVEARBPZSA-N 1 3 332.488 3.452 20 10 EGCDHO COc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C ZINC000850362160 1322234927 /nfs/dbraw/zinc/23/49/27/1322234927.db2.gz IGUZLEULZUOMRG-UHFFFAOYSA-N 1 3 339.483 3.400 20 10 EGCDHO Oc1ccc(-c2ccc(F)cc2)cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032897 1376831893 /nfs/dbraw/zinc/83/18/93/1376831893.db2.gz MODWDSNTUYNDAX-HXUWFJFHSA-N 1 3 326.415 3.384 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032897 1376831896 /nfs/dbraw/zinc/83/18/96/1376831896.db2.gz MODWDSNTUYNDAX-HXUWFJFHSA-N 1 3 326.415 3.384 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032897 1376831898 /nfs/dbraw/zinc/83/18/98/1376831898.db2.gz MODWDSNTUYNDAX-HXUWFJFHSA-N 1 3 326.415 3.384 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CCOC)cc2)CC1 ZINC001140304105 1378043104 /nfs/dbraw/zinc/04/31/04/1378043104.db2.gz IIXMSDWHUNVUOD-HXUWFJFHSA-N 1 3 345.531 3.220 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CCOC)cc2)CC1 ZINC001140304105 1378043107 /nfs/dbraw/zinc/04/31/07/1378043107.db2.gz IIXMSDWHUNVUOD-HXUWFJFHSA-N 1 3 345.531 3.220 20 10 EGCDHO CCN(C)c1ccc([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000271432684 455634592 /nfs/dbraw/zinc/63/45/92/455634592.db2.gz BFVXVKUYXSMIGV-ORYQWCPZSA-N 1 3 345.531 3.171 20 10 EGCDHO CCCOc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c([O-])c1 ZINC000290590798 456375744 /nfs/dbraw/zinc/37/57/44/456375744.db2.gz VFJCLHXBKPVBDY-KRWDZBQOSA-N 1 3 332.488 3.345 20 10 EGCDHO CCCOc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c([O-])c1 ZINC000290590798 456375749 /nfs/dbraw/zinc/37/57/49/456375749.db2.gz VFJCLHXBKPVBDY-KRWDZBQOSA-N 1 3 332.488 3.345 20 10 EGCDHO CN1CCC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000731041571 575045975 /nfs/dbraw/zinc/04/59/75/575045975.db2.gz HFQZEWYRDVUDJN-QGZVFWFLSA-N 1 3 346.475 3.017 20 10 EGCDHO COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c2c1 ZINC000247099002 1296383346 /nfs/dbraw/zinc/38/33/46/1296383346.db2.gz YBAHTQMKKLPASR-JXFKEZNVSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c2c1 ZINC000247099002 1296383359 /nfs/dbraw/zinc/38/33/59/1296383359.db2.gz YBAHTQMKKLPASR-JXFKEZNVSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2c1 ZINC000247099002 1296383369 /nfs/dbraw/zinc/38/33/69/1296383369.db2.gz YBAHTQMKKLPASR-JXFKEZNVSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2c1 ZINC000247099002 1296383383 /nfs/dbraw/zinc/38/33/83/1296383383.db2.gz YBAHTQMKKLPASR-JXFKEZNVSA-N 1 3 340.467 3.470 20 10 EGCDHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000772998441 1303603816 /nfs/dbraw/zinc/60/38/16/1303603816.db2.gz KNSNYHAVQIQZLI-UYAOXDASSA-N 1 3 347.547 3.288 20 10 EGCDHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000772998441 1303603819 /nfs/dbraw/zinc/60/38/19/1303603819.db2.gz KNSNYHAVQIQZLI-UYAOXDASSA-N 1 3 347.547 3.288 20 10 EGCDHO CN(C)c1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000902517352 1317585908 /nfs/dbraw/zinc/58/59/08/1317585908.db2.gz KKRWGBRRWVNXMT-HBMCJLEFSA-N 1 3 338.499 3.090 20 10 EGCDHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3N)cc2F)C[C@H](C)O1 ZINC000817887904 1319451365 /nfs/dbraw/zinc/45/13/65/1319451365.db2.gz GRZXMFBFBQXSEQ-WTLGNFPFSA-N 1 3 349.494 3.189 20 10 EGCDHO [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000841056750 1321210979 /nfs/dbraw/zinc/21/09/79/1321210979.db2.gz CTWVVWMBOADQHR-ROUUACIJSA-N 1 3 326.440 3.331 20 10 EGCDHO Oc1ccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1O ZINC001203877910 1370297574 /nfs/dbraw/zinc/29/75/74/1370297574.db2.gz ZIYUKPJPWRCUAE-UHFFFAOYSA-N 1 3 342.439 3.179 20 10 EGCDHO Oc1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1O ZINC001203877910 1370297584 /nfs/dbraw/zinc/29/75/84/1370297584.db2.gz ZIYUKPJPWRCUAE-UHFFFAOYSA-N 1 3 342.439 3.179 20 10 EGCDHO C[C@@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1C[NH3+] ZINC001205317972 1370720351 /nfs/dbraw/zinc/72/03/51/1370720351.db2.gz RBYQLIRXGHIQQA-VQIMIIECSA-N 1 3 340.467 3.388 20 10 EGCDHO NC[C@]1(F)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206351839 1371029231 /nfs/dbraw/zinc/02/92/31/1371029231.db2.gz JSCNCDRLXUMXQU-HXUWFJFHSA-N 1 3 331.479 3.038 20 10 EGCDHO NC[C@]1(F)CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206351839 1371029236 /nfs/dbraw/zinc/02/92/36/1371029236.db2.gz JSCNCDRLXUMXQU-HXUWFJFHSA-N 1 3 331.479 3.038 20 10 EGCDHO COc1cc(CN2CCC3(CC(F)C3)CC2)cc(C[NH+](C)C)c1O ZINC001139256124 1377858614 /nfs/dbraw/zinc/85/86/14/1377858614.db2.gz UQWCFNSCXCDLHT-UHFFFAOYSA-N 1 3 336.451 3.177 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC001140304238 1378042999 /nfs/dbraw/zinc/04/29/99/1378042999.db2.gz JZQMPPMTCLRJTI-MRXNPFEDSA-N 1 3 341.421 3.213 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC001140304238 1378043002 /nfs/dbraw/zinc/04/30/02/1378043002.db2.gz JZQMPPMTCLRJTI-MRXNPFEDSA-N 1 3 341.421 3.213 20 10 EGCDHO COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272702636 456045294 /nfs/dbraw/zinc/04/52/94/456045294.db2.gz YYEUNYSLSFYJRC-AEFFLSMTSA-N 1 3 340.467 3.401 20 10 EGCDHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC000366545713 457847845 /nfs/dbraw/zinc/84/78/45/457847845.db2.gz LAIDNZVEMASRCL-LKUPVBHCSA-N 1 3 340.467 3.229 20 10 EGCDHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC000366545713 457847851 /nfs/dbraw/zinc/84/78/51/457847851.db2.gz LAIDNZVEMASRCL-LKUPVBHCSA-N 1 3 340.467 3.229 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000808694579 1317718018 /nfs/dbraw/zinc/71/80/18/1317718018.db2.gz FKGSYGFFSSHDKX-ZBFHGGJFSA-N 1 3 340.895 3.242 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000808694579 1317718020 /nfs/dbraw/zinc/71/80/20/1317718020.db2.gz FKGSYGFFSSHDKX-ZBFHGGJFSA-N 1 3 340.895 3.242 20 10 EGCDHO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843058503 1321464026 /nfs/dbraw/zinc/46/40/26/1321464026.db2.gz UTFXACYBQLUSQU-WBVHZDCISA-N 1 3 326.440 3.140 20 10 EGCDHO C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843058503 1321464029 /nfs/dbraw/zinc/46/40/29/1321464029.db2.gz UTFXACYBQLUSQU-WBVHZDCISA-N 1 3 326.440 3.140 20 10 EGCDHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000848719110 1322000280 /nfs/dbraw/zinc/00/02/80/1322000280.db2.gz YGLUHBNUBVPAIX-QLFBSQMISA-N 1 3 339.430 3.116 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1[O-] ZINC001205638851 1370822934 /nfs/dbraw/zinc/82/29/34/1370822934.db2.gz SOXRSNNBZRZXCD-YPMHNXCESA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1[O-] ZINC001205638851 1370822939 /nfs/dbraw/zinc/82/29/39/1370822939.db2.gz SOXRSNNBZRZXCD-YPMHNXCESA-N 1 3 341.293 3.270 20 10 EGCDHO C[C@@]1(C[NH3+])CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001206327832 1371024764 /nfs/dbraw/zinc/02/47/64/1371024764.db2.gz YQNUPWLHYIIYIB-OAHLLOKOSA-N 1 3 332.366 3.242 20 10 EGCDHO C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001206327832 1371024769 /nfs/dbraw/zinc/02/47/69/1371024769.db2.gz YQNUPWLHYIIYIB-OAHLLOKOSA-N 1 3 332.366 3.242 20 10 EGCDHO c1ccc2c(c1)CN(Cc1ccc(N3CC[NH2+]CC3)cc1)CCS2 ZINC001236240703 1376944142 /nfs/dbraw/zinc/94/41/42/1376944142.db2.gz OHIWBQKBFVGARN-UHFFFAOYSA-N 1 3 339.508 3.204 20 10 EGCDHO C[N@H+]1CC[C@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]2CC1 ZINC001276837379 1378189437 /nfs/dbraw/zinc/18/94/37/1378189437.db2.gz AFNKEBVZQMIVFG-BETUJISGSA-N 1 3 328.378 3.185 20 10 EGCDHO C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]2CC1 ZINC001276837379 1378189441 /nfs/dbraw/zinc/18/94/41/1378189441.db2.gz AFNKEBVZQMIVFG-BETUJISGSA-N 1 3 328.378 3.185 20 10 EGCDHO C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]2CC1 ZINC001276837379 1378189444 /nfs/dbraw/zinc/18/94/44/1378189444.db2.gz AFNKEBVZQMIVFG-BETUJISGSA-N 1 3 328.378 3.185 20 10 EGCDHO C[NH+]1CC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@H]2CC1 ZINC001276837379 1378189445 /nfs/dbraw/zinc/18/94/45/1378189445.db2.gz AFNKEBVZQMIVFG-BETUJISGSA-N 1 3 328.378 3.185 20 10 EGCDHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc(N(C)C)cc1 ZINC000159136350 455354974 /nfs/dbraw/zinc/35/49/74/455354974.db2.gz MDDUGEMPWGHUDO-HXUWFJFHSA-N 1 3 333.520 3.294 20 10 EGCDHO Cc1cccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1O ZINC000179884032 455093827 /nfs/dbraw/zinc/09/38/27/455093827.db2.gz PIKZXVIFDUTQSD-IRXDYDNUSA-N 1 3 332.488 3.022 20 10 EGCDHO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272702639 456045523 /nfs/dbraw/zinc/04/55/23/456045523.db2.gz YYEUNYSLSFYJRC-WMZOPIPTSA-N 1 3 340.467 3.401 20 10 EGCDHO COc1ccc2ccc([O-])c(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000023848246 1291238935 /nfs/dbraw/zinc/23/89/35/1291238935.db2.gz MWAJYSPYMOYWGM-UHFFFAOYSA-N 1 3 349.434 3.271 20 10 EGCDHO COc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1O ZINC000708548864 1298243425 /nfs/dbraw/zinc/24/34/25/1298243425.db2.gz BUKWYEBFERMKPH-QFBILLFUSA-N 1 3 340.467 3.259 20 10 EGCDHO CCN(C)c1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762650790 1301720636 /nfs/dbraw/zinc/72/06/36/1301720636.db2.gz RWVCGQLPHUOOSD-ROUUACIJSA-N 1 3 333.520 3.294 20 10 EGCDHO CCN(C)c1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762650790 1301720641 /nfs/dbraw/zinc/72/06/41/1301720641.db2.gz RWVCGQLPHUOOSD-ROUUACIJSA-N 1 3 333.520 3.294 20 10 EGCDHO CCN(C)c1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000762650785 1301721575 /nfs/dbraw/zinc/72/15/75/1301721575.db2.gz RWVCGQLPHUOOSD-MSOLQXFVSA-N 1 3 333.520 3.294 20 10 EGCDHO CCN(C)c1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000762650785 1301721584 /nfs/dbraw/zinc/72/15/84/1301721584.db2.gz RWVCGQLPHUOOSD-MSOLQXFVSA-N 1 3 333.520 3.294 20 10 EGCDHO CCOc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c([O-])c1 ZINC000904459120 1317850076 /nfs/dbraw/zinc/85/00/76/1317850076.db2.gz OHLYXBDTRRABJV-UHFFFAOYSA-N 1 3 340.467 3.283 20 10 EGCDHO c1cc(N2CCSCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817888203 1319451169 /nfs/dbraw/zinc/45/11/69/1319451169.db2.gz JQRAYWYRIIPONB-VAMGGRTRSA-N 1 3 345.556 3.250 20 10 EGCDHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)cc2F)C[C@H](C)O1 ZINC000817887902 1319451292 /nfs/dbraw/zinc/45/12/92/1319451292.db2.gz GRZXMFBFBQXSEQ-QGWWYQLQSA-N 1 3 349.494 3.189 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1[O-] ZINC000817954810 1319477157 /nfs/dbraw/zinc/47/71/57/1319477157.db2.gz KMHRFANESGEIJU-NEPJUHHUSA-N 1 3 327.266 3.113 20 10 EGCDHO CCCC[C@@H](CN)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841030254 1321203828 /nfs/dbraw/zinc/20/38/28/1321203828.db2.gz MIAHZRPCAFJGFM-INIZCTEOSA-N 1 3 334.464 3.192 20 10 EGCDHO Cc1cccc(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1O ZINC000841072834 1321213925 /nfs/dbraw/zinc/21/39/25/1321213925.db2.gz KANSZDFKDJJOET-PKOBYXMFSA-N 1 3 328.431 3.323 20 10 EGCDHO Cc1cc(Br)cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1O ZINC000843059271 1321463718 /nfs/dbraw/zinc/46/37/18/1321463718.db2.gz ITIJWUUBPHLNQM-TUKIKUTGSA-N 1 3 339.277 3.022 20 10 EGCDHO CCCOC1CC[NH+](Cc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC001140304041 1378043023 /nfs/dbraw/zinc/04/30/23/1378043023.db2.gz FSQHPUOIWFEPEO-UHFFFAOYSA-N 1 3 345.531 3.220 20 10 EGCDHO C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(F)ccc1[O-] ZINC000185056834 455492775 /nfs/dbraw/zinc/49/27/75/455492775.db2.gz MXSYBJUBAKKEOM-AWEZNQCLSA-N 1 3 332.419 3.323 20 10 EGCDHO CCN(C)c1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271432677 455634552 /nfs/dbraw/zinc/63/45/52/455634552.db2.gz BFVXVKUYXSMIGV-DQLDELGASA-N 1 3 345.531 3.171 20 10 EGCDHO CC[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000268845441 455715923 /nfs/dbraw/zinc/71/59/23/455715923.db2.gz DSWKEHKRFDAUEF-HXUWFJFHSA-N 1 3 345.531 3.438 20 10 EGCDHO C[C@@H]1C[N@H+](CCCNCc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000278029991 455738744 /nfs/dbraw/zinc/73/87/44/455738744.db2.gz WWOTZJKNLWIUCJ-LJQANCHMSA-N 1 3 345.531 3.267 20 10 EGCDHO C[C@@H]1C[N@@H+](CCCNCc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000278029991 455738748 /nfs/dbraw/zinc/73/87/48/455738748.db2.gz WWOTZJKNLWIUCJ-LJQANCHMSA-N 1 3 345.531 3.267 20 10 EGCDHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000122698574 1293422037 /nfs/dbraw/zinc/42/20/37/1293422037.db2.gz AFQATQFDLCJTLM-NQIIRXRSSA-N 1 3 347.547 3.288 20 10 EGCDHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000122698574 1293422039 /nfs/dbraw/zinc/42/20/39/1293422039.db2.gz AFQATQFDLCJTLM-NQIIRXRSSA-N 1 3 347.547 3.288 20 10 EGCDHO COc1ccc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1OC ZINC000893488829 1305922787 /nfs/dbraw/zinc/92/27/87/1305922787.db2.gz UGWQMVVMFVBHFT-GDBMZVCRSA-N 1 3 348.487 3.152 20 10 EGCDHO COc1ccc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(O)c1OC ZINC000893488829 1305922796 /nfs/dbraw/zinc/92/27/96/1305922796.db2.gz UGWQMVVMFVBHFT-GDBMZVCRSA-N 1 3 348.487 3.152 20 10 EGCDHO CSC1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC[NH+](C)CC1 ZINC000810252146 1317986912 /nfs/dbraw/zinc/98/69/12/1317986912.db2.gz KBXQOGHGCWEFSK-GXTWGEPZSA-N 1 3 338.492 3.497 20 10 EGCDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897901 1319455823 /nfs/dbraw/zinc/45/58/23/1319455823.db2.gz XQEBCTHQYZZNOG-ZLGUVYLKSA-N 1 3 345.531 3.297 20 10 EGCDHO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC000841033496 1321204090 /nfs/dbraw/zinc/20/40/90/1321204090.db2.gz PFJGOXQJMQKIFI-WMZOPIPTSA-N 1 3 340.467 3.449 20 10 EGCDHO CN(C)c1ccc(CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000841074260 1321214093 /nfs/dbraw/zinc/21/40/93/1321214093.db2.gz WJYQWRYTUGJOTQ-GHTZIAJQSA-N 1 3 341.474 3.375 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+](C)C2CCC([NH3+])CC2)c1[O-] ZINC000843055796 1321463060 /nfs/dbraw/zinc/46/30/60/1321463060.db2.gz OWEZYWPTISRBCA-UHFFFAOYSA-N 1 3 327.266 3.165 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+](C)C2CCC([NH3+])CC2)c1[O-] ZINC000843055796 1321463062 /nfs/dbraw/zinc/46/30/62/1321463062.db2.gz OWEZYWPTISRBCA-UHFFFAOYSA-N 1 3 327.266 3.165 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205652391 1370829143 /nfs/dbraw/zinc/82/91/43/1370829143.db2.gz PJEZJDZQQAGDAW-WCQYABFASA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205652391 1370829146 /nfs/dbraw/zinc/82/91/46/1370829146.db2.gz PJEZJDZQQAGDAW-WCQYABFASA-N 1 3 341.293 3.270 20 10 EGCDHO CCN1CCN(c2ccc(C[NH+]3CCC(CCOC)CC3)cc2)CC1 ZINC001140304672 1378042892 /nfs/dbraw/zinc/04/28/92/1378042892.db2.gz XXOCIYSDZBQPEY-UHFFFAOYSA-N 1 3 345.531 3.077 20 10 EGCDHO C[NH+](CCCC[N@@H+](C)Cc1ccccc1O)Cc1ccccc1[O-] ZINC000077284306 454085627 /nfs/dbraw/zinc/08/56/27/454085627.db2.gz IEHFSAFXEVELPE-UHFFFAOYSA-N 1 3 328.456 3.442 20 10 EGCDHO C[NH+](CCCC[N@H+](C)Cc1ccccc1O)Cc1ccccc1[O-] ZINC000077284306 454085629 /nfs/dbraw/zinc/08/56/29/454085629.db2.gz IEHFSAFXEVELPE-UHFFFAOYSA-N 1 3 328.456 3.442 20 10 EGCDHO C[NH+](CCCC[N@H+](C)Cc1ccccc1[O-])Cc1ccccc1O ZINC000077284306 454085631 /nfs/dbraw/zinc/08/56/31/454085631.db2.gz IEHFSAFXEVELPE-UHFFFAOYSA-N 1 3 328.456 3.442 20 10 EGCDHO C[NH+](CCCC[N@@H+](C)Cc1ccccc1[O-])Cc1ccccc1O ZINC000077284306 454085633 /nfs/dbraw/zinc/08/56/33/454085633.db2.gz IEHFSAFXEVELPE-UHFFFAOYSA-N 1 3 328.456 3.442 20 10 EGCDHO C[C@H]1C[N@H+](CCCNCc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000278029977 455739049 /nfs/dbraw/zinc/73/90/49/455739049.db2.gz WWOTZJKNLWIUCJ-IBGZPJMESA-N 1 3 345.531 3.267 20 10 EGCDHO C[C@H]1C[N@@H+](CCCNCc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000278029977 455739054 /nfs/dbraw/zinc/73/90/54/455739054.db2.gz WWOTZJKNLWIUCJ-IBGZPJMESA-N 1 3 345.531 3.267 20 10 EGCDHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858491002 1328778355 /nfs/dbraw/zinc/77/83/55/1328778355.db2.gz UYGPGQQVJRJBOI-SJORKVTESA-N 1 3 349.494 3.045 20 10 EGCDHO CCC[NH+](CCC)CCCN1CCN(Cc2ccccc2O)CC1 ZINC001203561140 1370170145 /nfs/dbraw/zinc/17/01/45/1370170145.db2.gz MEYVASLKCQUHRL-UHFFFAOYSA-N 1 3 333.520 3.022 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Br ZINC001206325295 1371023905 /nfs/dbraw/zinc/02/39/05/1371023905.db2.gz HHGTVWOYKRXOKC-MRXNPFEDSA-N 1 3 341.293 3.414 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Br ZINC001206325295 1371023909 /nfs/dbraw/zinc/02/39/09/1371023909.db2.gz HHGTVWOYKRXOKC-MRXNPFEDSA-N 1 3 341.293 3.414 20 10 EGCDHO COc1ccc(CN(C)Cc2cc(C[NH+](C)C)c(O)c(OC)c2)cc1 ZINC001139254005 1377858229 /nfs/dbraw/zinc/85/82/29/1377858229.db2.gz BLRNFIFBSQBSSD-UHFFFAOYSA-N 1 3 344.455 3.103 20 10 EGCDHO COc1cc(CN(C)Cc2ccc(C)cc2)cc(C[NH+](C)C)c1O ZINC001139256990 1377858624 /nfs/dbraw/zinc/85/86/24/1377858624.db2.gz OCDDVOHQTSVLJV-UHFFFAOYSA-N 1 3 328.456 3.403 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC001140301982 1378042815 /nfs/dbraw/zinc/04/28/15/1378042815.db2.gz GOVPCJYHQVUYQY-BGYRXZFFSA-N 1 3 327.516 3.451 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC001140301982 1378042816 /nfs/dbraw/zinc/04/28/16/1378042816.db2.gz GOVPCJYHQVUYQY-BGYRXZFFSA-N 1 3 327.516 3.451 20 10 EGCDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161132124 455538389 /nfs/dbraw/zinc/53/83/89/455538389.db2.gz XRIMZLNVHBJKIZ-NXHRZFHOSA-N 1 3 349.494 3.186 20 10 EGCDHO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1 ZINC000279965345 455878878 /nfs/dbraw/zinc/87/88/78/455878878.db2.gz PJUUPNHJFGYCBD-ZDUSSCGKSA-N 1 3 341.421 3.345 20 10 EGCDHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000246201577 1296342478 /nfs/dbraw/zinc/34/24/78/1296342478.db2.gz AXPKSFXZFHTHPQ-RHSMWYFYSA-N 1 3 332.488 3.311 20 10 EGCDHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000246201577 1296342490 /nfs/dbraw/zinc/34/24/90/1296342490.db2.gz AXPKSFXZFHTHPQ-RHSMWYFYSA-N 1 3 332.488 3.311 20 10 EGCDHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000776170194 1304106320 /nfs/dbraw/zinc/10/63/20/1304106320.db2.gz ZWBFNDFWKSYORM-OAHLLOKOSA-N 1 3 349.906 3.089 20 10 EGCDHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000776170194 1304106326 /nfs/dbraw/zinc/10/63/26/1304106326.db2.gz ZWBFNDFWKSYORM-OAHLLOKOSA-N 1 3 349.906 3.089 20 10 EGCDHO CN(C)c1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817896410 1319454833 /nfs/dbraw/zinc/45/48/33/1319454833.db2.gz IODKNLHOQIXRNO-FPOVZHCZSA-N 1 3 337.467 3.098 20 10 EGCDHO C[C@@H](C[NH3+])CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841048057 1321209027 /nfs/dbraw/zinc/20/90/27/1321209027.db2.gz GCYHCYWQDJLGCS-ZDUSSCGKSA-N 1 3 340.309 3.124 20 10 EGCDHO CCN(CC)c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000848527918 1321969021 /nfs/dbraw/zinc/96/90/21/1321969021.db2.gz IDVJCMLCONORIQ-SFHVURJKSA-N 1 3 349.494 3.015 20 10 EGCDHO [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204743029 1370562280 /nfs/dbraw/zinc/56/22/80/1370562280.db2.gz XSFCWBRGOLHWMX-UHFFFAOYSA-N 1 3 328.378 3.377 20 10 EGCDHO [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204743029 1370562281 /nfs/dbraw/zinc/56/22/81/1370562281.db2.gz XSFCWBRGOLHWMX-UHFFFAOYSA-N 1 3 328.378 3.377 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1[O-] ZINC001205638848 1370822790 /nfs/dbraw/zinc/82/27/90/1370822790.db2.gz SOXRSNNBZRZXCD-AAEUAGOBSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1[O-] ZINC001205638848 1370822793 /nfs/dbraw/zinc/82/27/93/1370822793.db2.gz SOXRSNNBZRZXCD-AAEUAGOBSA-N 1 3 341.293 3.270 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)cc2)CC1 ZINC001140303781 1378042795 /nfs/dbraw/zinc/04/27/95/1378042795.db2.gz AMTDZOAGUUTTCW-SFHVURJKSA-N 1 3 335.442 3.060 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@]4(CC4(F)F)C3)cc2)CC1 ZINC001140303781 1378042796 /nfs/dbraw/zinc/04/27/96/1378042796.db2.gz AMTDZOAGUUTTCW-SFHVURJKSA-N 1 3 335.442 3.060 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)cc2)CC1 ZINC001140303780 1378042880 /nfs/dbraw/zinc/04/28/80/1378042880.db2.gz AMTDZOAGUUTTCW-GOSISDBHSA-N 1 3 335.442 3.060 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)cc2)CC1 ZINC001140303780 1378042881 /nfs/dbraw/zinc/04/28/81/1378042881.db2.gz AMTDZOAGUUTTCW-GOSISDBHSA-N 1 3 335.442 3.060 20 10 EGCDHO CCC[N@H+](Cc1ccc(N2CCN(CC)CC2)cc1)C1CCOCC1 ZINC001140309332 1378044380 /nfs/dbraw/zinc/04/43/80/1378044380.db2.gz BMLTWMDMMGSKRG-UHFFFAOYSA-N 1 3 345.531 3.220 20 10 EGCDHO CCC[N@@H+](Cc1ccc(N2CCN(CC)CC2)cc1)C1CCOCC1 ZINC001140309332 1378044381 /nfs/dbraw/zinc/04/43/81/1378044381.db2.gz BMLTWMDMMGSKRG-UHFFFAOYSA-N 1 3 345.531 3.220 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+](CCCCCO)C(C)C)cc2)CC1 ZINC001140309765 1378044418 /nfs/dbraw/zinc/04/44/18/1378044418.db2.gz UCDIJWQHXYSRFU-UHFFFAOYSA-N 1 3 347.547 3.202 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+](CCCCCO)C(C)C)cc2)CC1 ZINC001140309765 1378044419 /nfs/dbraw/zinc/04/44/19/1378044419.db2.gz UCDIJWQHXYSRFU-UHFFFAOYSA-N 1 3 347.547 3.202 20 10 EGCDHO C[N@@H+](Cc1cc(O)ccc1O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001141161382 1378255113 /nfs/dbraw/zinc/25/51/13/1378255113.db2.gz QXXICEXCDSYXON-QGZVFWFLSA-N 1 3 326.440 3.052 20 10 EGCDHO C[N@H+](Cc1cc(O)ccc1O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001141161382 1378255119 /nfs/dbraw/zinc/25/51/19/1378255119.db2.gz QXXICEXCDSYXON-QGZVFWFLSA-N 1 3 326.440 3.052 20 10 EGCDHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813808 455714226 /nfs/dbraw/zinc/71/42/26/455714226.db2.gz FPEXOQACVVNVQB-WIYYLYMNSA-N 1 3 345.531 3.174 20 10 EGCDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC000366545714 457847811 /nfs/dbraw/zinc/84/78/11/457847811.db2.gz LAIDNZVEMASRCL-OZOXKJRCSA-N 1 3 340.467 3.229 20 10 EGCDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC000366545714 457847818 /nfs/dbraw/zinc/84/78/18/457847818.db2.gz LAIDNZVEMASRCL-OZOXKJRCSA-N 1 3 340.467 3.229 20 10 EGCDHO CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccccc3[O-])CC2)CC1 ZINC000368592255 458047973 /nfs/dbraw/zinc/04/79/73/458047973.db2.gz PYRZTFOFPPBJLZ-UHFFFAOYSA-N 1 3 345.531 3.020 20 10 EGCDHO CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccccc3[O-])CC2)CC1 ZINC000368592255 458047980 /nfs/dbraw/zinc/04/79/80/458047980.db2.gz PYRZTFOFPPBJLZ-UHFFFAOYSA-N 1 3 345.531 3.020 20 10 EGCDHO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000747470591 1298787534 /nfs/dbraw/zinc/78/75/34/1298787534.db2.gz MPXYUXPUFMUQOI-SFHVURJKSA-N 1 3 342.483 3.478 20 10 EGCDHO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000747470591 1298787539 /nfs/dbraw/zinc/78/75/39/1298787539.db2.gz MPXYUXPUFMUQOI-SFHVURJKSA-N 1 3 342.483 3.478 20 10 EGCDHO [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841035140 1321205043 /nfs/dbraw/zinc/20/50/43/1321205043.db2.gz FXRXLWPLYNDLNK-MRXNPFEDSA-N 1 3 326.440 3.060 20 10 EGCDHO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000841102986 1321218735 /nfs/dbraw/zinc/21/87/35/1321218735.db2.gz BRLDDPMUUBCCAI-VQTJNVASSA-N 1 3 327.447 3.127 20 10 EGCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000841102986 1321218736 /nfs/dbraw/zinc/21/87/36/1321218736.db2.gz BRLDDPMUUBCCAI-VQTJNVASSA-N 1 3 327.447 3.127 20 10 EGCDHO Cc1cc(Br)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1[O-] ZINC000843126347 1321474240 /nfs/dbraw/zinc/47/42/40/1321474240.db2.gz JNLQHHBIARNRJB-UHFFFAOYSA-N 1 3 339.277 3.039 20 10 EGCDHO [NH3+][C@H]1CCCN(Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001205124415 1370657958 /nfs/dbraw/zinc/65/79/58/1370657958.db2.gz QTWNIWJIEGYTPH-SFHVURJKSA-N 1 3 326.440 3.284 20 10 EGCDHO C[C@]1(C[NH3+])CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001206327829 1371024929 /nfs/dbraw/zinc/02/49/29/1371024929.db2.gz YQNUPWLHYIIYIB-HNNXBMFYSA-N 1 3 332.366 3.242 20 10 EGCDHO C[C@]1(C[NH3+])CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001206327829 1371024932 /nfs/dbraw/zinc/02/49/32/1371024932.db2.gz YQNUPWLHYIIYIB-HNNXBMFYSA-N 1 3 332.366 3.242 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(F)F)C3)cc2)CC1 ZINC001140304560 1378043030 /nfs/dbraw/zinc/04/30/30/1378043030.db2.gz UXEVFNXJBIDSSP-KRWDZBQOSA-N 1 3 337.458 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](C(F)F)C3)cc2)CC1 ZINC001140304560 1378043033 /nfs/dbraw/zinc/04/30/33/1378043033.db2.gz UXEVFNXJBIDSSP-KRWDZBQOSA-N 1 3 337.458 3.306 20 10 EGCDHO CCN1CCN(c2ccc(C[NH+]3CC4CCC(CC4)C3)cc2)CC1 ZINC001140306211 1378043842 /nfs/dbraw/zinc/04/38/42/1378043842.db2.gz PGTCVGVBUAEXIY-UHFFFAOYSA-N 1 3 327.516 3.451 20 10 EGCDHO Cc1c(O)ccc(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1O ZINC001140744164 1378128286 /nfs/dbraw/zinc/12/82/86/1378128286.db2.gz NQENSIRYPOMXMX-HZPDHXFCSA-N 1 3 344.480 3.032 20 10 EGCDHO C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001276837382 1378189022 /nfs/dbraw/zinc/18/90/22/1378189022.db2.gz AHPPPSZKRMWMHE-UHFFFAOYSA-N 1 3 328.378 3.329 20 10 EGCDHO C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccc1[O-])CC2 ZINC001276837382 1378189026 /nfs/dbraw/zinc/18/90/26/1378189026.db2.gz AHPPPSZKRMWMHE-UHFFFAOYSA-N 1 3 328.378 3.329 20 10 EGCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC(C[NH+](C)C)CC3)c2c1 ZINC000738077365 574660531 /nfs/dbraw/zinc/66/05/31/574660531.db2.gz UBPMXKRYVQSKCN-UHFFFAOYSA-N 1 3 328.456 3.328 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000817976215 1319483904 /nfs/dbraw/zinc/48/39/04/1319483904.db2.gz IHUOLFNPSODFKJ-RISCZKNCSA-N 1 3 339.277 3.256 20 10 EGCDHO [NH3+][C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001205109497 1370652646 /nfs/dbraw/zinc/65/26/46/1370652646.db2.gz HCNNWJOMXUVSGK-SFHVURJKSA-N 1 3 326.440 3.284 20 10 EGCDHO Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c([O-])cc1Br ZINC001206037099 1370946318 /nfs/dbraw/zinc/94/63/18/1370946318.db2.gz UPDWJUAXDXXGDC-QWHCGFSZSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c([O-])cc1Br ZINC001206037099 1370946319 /nfs/dbraw/zinc/94/63/19/1370946319.db2.gz UPDWJUAXDXXGDC-QWHCGFSZSA-N 1 3 341.293 3.270 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C(C)(C)OC)cc2)CC1 ZINC001140304431 1378042889 /nfs/dbraw/zinc/04/28/89/1378042889.db2.gz PCDVSAZFZHCOIS-FQEVSTJZSA-N 1 3 345.531 3.218 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(C)(C)OC)cc2)CC1 ZINC001140304431 1378042890 /nfs/dbraw/zinc/04/28/90/1378042890.db2.gz PCDVSAZFZHCOIS-FQEVSTJZSA-N 1 3 345.531 3.218 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC(F)(F)CC3)cc2)CC1 ZINC001140299892 1378042944 /nfs/dbraw/zinc/04/29/44/1378042944.db2.gz IEUUIDMZGSTVKB-UHFFFAOYSA-N 1 3 337.458 3.450 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCCC(F)(F)CC3)cc2)CC1 ZINC001140299892 1378042945 /nfs/dbraw/zinc/04/29/45/1378042945.db2.gz IEUUIDMZGSTVKB-UHFFFAOYSA-N 1 3 337.458 3.450 20 10 EGCDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161132405 455538052 /nfs/dbraw/zinc/53/80/52/455538052.db2.gz XRIMZLNVHBJKIZ-NJAFHUGGSA-N 1 3 349.494 3.186 20 10 EGCDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161131994 455538199 /nfs/dbraw/zinc/53/81/99/455538199.db2.gz XRIMZLNVHBJKIZ-JQHSSLGASA-N 1 3 349.494 3.186 20 10 EGCDHO C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297791853 456296202 /nfs/dbraw/zinc/29/62/02/456296202.db2.gz QAFTVUVMDSCAEX-IBGZPJMESA-N 1 3 340.467 3.152 20 10 EGCDHO CN(C)c1ccc([C@@H](CNC2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000898450294 1310742079 /nfs/dbraw/zinc/74/20/79/1310742079.db2.gz PTMDLPCABHEKFK-HXUWFJFHSA-N 1 3 346.563 3.208 20 10 EGCDHO CCCC[C@H](CN)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841030255 1321203396 /nfs/dbraw/zinc/20/33/96/1321203396.db2.gz MIAHZRPCAFJGFM-MRXNPFEDSA-N 1 3 334.464 3.192 20 10 EGCDHO [NH3+][C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001205109495 1370653362 /nfs/dbraw/zinc/65/33/62/1370653362.db2.gz HCNNWJOMXUVSGK-GOSISDBHSA-N 1 3 326.440 3.284 20 10 EGCDHO C[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)C[C@H]1[NH3+] ZINC001206070688 1370953753 /nfs/dbraw/zinc/95/37/53/1370953753.db2.gz QAKOMIHMJKZDSF-MEBBXXQBSA-N 1 3 335.245 3.087 20 10 EGCDHO COCCN(Cc1ccc(N2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC001138220038 1377690830 /nfs/dbraw/zinc/69/08/30/1377690830.db2.gz XROBCTUGDNLHGM-UHFFFAOYSA-N 1 3 345.531 3.220 20 10 EGCDHO COc1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1O ZINC000708548662 1298243734 /nfs/dbraw/zinc/24/37/34/1298243734.db2.gz BUKWYEBFERMKPH-APWZRJJASA-N 1 3 340.467 3.259 20 10 EGCDHO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2ccccc2c1[O-] ZINC000816610592 1319193820 /nfs/dbraw/zinc/19/38/20/1319193820.db2.gz QKBWZFPDGYZGBE-UHFFFAOYSA-N 1 3 343.515 3.251 20 10 EGCDHO c1cc(N2CCSCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817888204 1319452286 /nfs/dbraw/zinc/45/22/86/1319452286.db2.gz JQRAYWYRIIPONB-XUVXKRRUSA-N 1 3 345.556 3.250 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1[O-] ZINC000817985417 1319487145 /nfs/dbraw/zinc/48/71/45/1319487145.db2.gz JZTKMYUAEDQILA-GFCCVEGCSA-N 1 3 339.277 3.424 20 10 EGCDHO Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c([O-])cc1Br ZINC001206037095 1370946178 /nfs/dbraw/zinc/94/61/78/1370946178.db2.gz UPDWJUAXDXXGDC-OLZOCXBDSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c([O-])cc1Br ZINC001206037095 1370946180 /nfs/dbraw/zinc/94/61/80/1370946180.db2.gz UPDWJUAXDXXGDC-OLZOCXBDSA-N 1 3 341.293 3.270 20 10 EGCDHO CCOCC1CC[NH+](Cc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC001140306060 1378043779 /nfs/dbraw/zinc/04/37/79/1378043779.db2.gz MVFJZIPWILOQMN-UHFFFAOYSA-N 1 3 345.531 3.077 20 10 EGCDHO COc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000272200541 455874641 /nfs/dbraw/zinc/87/46/41/455874641.db2.gz OKRXSQUJFQKNJU-VQIMIIECSA-N 1 3 340.467 3.401 20 10 EGCDHO COc1ccc(O)c([C@@H](C)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000185231964 1295250143 /nfs/dbraw/zinc/25/01/43/1295250143.db2.gz ZEJDJIMFMUAMEU-OAHLLOKOSA-N 1 3 344.455 3.192 20 10 EGCDHO COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c2c1 ZINC000247099020 1296382626 /nfs/dbraw/zinc/38/26/26/1296382626.db2.gz YBAHTQMKKLPASR-OXJNMPFZSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c2c1 ZINC000247099020 1296382640 /nfs/dbraw/zinc/38/26/40/1296382640.db2.gz YBAHTQMKKLPASR-OXJNMPFZSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2c1 ZINC000247099020 1296382648 /nfs/dbraw/zinc/38/26/48/1296382648.db2.gz YBAHTQMKKLPASR-OXJNMPFZSA-N 1 3 340.467 3.470 20 10 EGCDHO COc1ccc2ccc([O-])c(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2c1 ZINC000247099020 1296382660 /nfs/dbraw/zinc/38/26/60/1296382660.db2.gz YBAHTQMKKLPASR-OXJNMPFZSA-N 1 3 340.467 3.470 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1[O-] ZINC000873293598 1297416071 /nfs/dbraw/zinc/41/60/71/1297416071.db2.gz NMABMAUTDCMQLF-ZFWWWQNUSA-N 1 3 338.879 3.163 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1[O-] ZINC000817980960 1319484000 /nfs/dbraw/zinc/48/40/00/1319484000.db2.gz FWYHDLIBHUJVRD-LOWVWBTDSA-N 1 3 327.266 3.241 20 10 EGCDHO [O-]c1ccccc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001203552615 1370167906 /nfs/dbraw/zinc/16/79/06/1370167906.db2.gz OXJRKSSCZLGNQY-UHFFFAOYSA-N 1 3 337.467 3.275 20 10 EGCDHO [O-]c1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001203552615 1370167911 /nfs/dbraw/zinc/16/79/11/1370167911.db2.gz OXJRKSSCZLGNQY-UHFFFAOYSA-N 1 3 337.467 3.275 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235943896 1376919892 /nfs/dbraw/zinc/91/98/92/1376919892.db2.gz ZSIFTAQBXFRTFP-WMZOPIPTSA-N 1 3 326.415 3.240 20 10 EGCDHO [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235943896 1376919898 /nfs/dbraw/zinc/91/98/98/1376919898.db2.gz ZSIFTAQBXFRTFP-WMZOPIPTSA-N 1 3 326.415 3.240 20 10 EGCDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000269055323 455776792 /nfs/dbraw/zinc/77/67/92/455776792.db2.gz SALSOBALTYUUNH-SFHVURJKSA-N 1 3 345.531 3.174 20 10 EGCDHO C[N@H+]1CC=C(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000273128391 456187761 /nfs/dbraw/zinc/18/77/61/456187761.db2.gz BEEONSYZXZVEEH-UHFFFAOYSA-N 1 3 338.451 3.323 20 10 EGCDHO C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000273128391 456187767 /nfs/dbraw/zinc/18/77/67/456187767.db2.gz BEEONSYZXZVEEH-UHFFFAOYSA-N 1 3 338.451 3.323 20 10 EGCDHO C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@H]1C[NH3+] ZINC001205636532 1370821014 /nfs/dbraw/zinc/82/10/14/1370821014.db2.gz DGJFORTZDVARRT-VXGBXAGGSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@@H]1C[NH3+] ZINC001205636532 1370821016 /nfs/dbraw/zinc/82/10/16/1370821016.db2.gz DGJFORTZDVARRT-VXGBXAGGSA-N 1 3 332.366 3.098 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206024090 1370941437 /nfs/dbraw/zinc/94/14/37/1370941437.db2.gz HPTIKJNDIDJNLH-STQMWFEESA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206024090 1370941439 /nfs/dbraw/zinc/94/14/39/1370941439.db2.gz HPTIKJNDIDJNLH-STQMWFEESA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(F)cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1[O-] ZINC001206760392 1371155875 /nfs/dbraw/zinc/15/58/75/1371155875.db2.gz FHWSZIHHLLUMPA-UHFFFAOYSA-N 1 3 328.431 3.332 20 10 EGCDHO C[N@H+](CCCN1CCCC1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337545 1377705634 /nfs/dbraw/zinc/70/56/34/1377705634.db2.gz UDRMMHYWMHISEJ-UHFFFAOYSA-N 1 3 343.515 3.009 20 10 EGCDHO C[N@@H+](CCCN1CCCC1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337545 1377705637 /nfs/dbraw/zinc/70/56/37/1377705637.db2.gz UDRMMHYWMHISEJ-UHFFFAOYSA-N 1 3 343.515 3.009 20 10 EGCDHO COc1cc(Cl)cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1[O-] ZINC000827844331 1292387078 /nfs/dbraw/zinc/38/70/78/1292387078.db2.gz KZVIBELUDSKAMX-UHFFFAOYSA-N 1 3 338.879 3.266 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000808694577 1317717204 /nfs/dbraw/zinc/71/72/04/1317717204.db2.gz FKGSYGFFSSHDKX-GOEBONIOSA-N 1 3 340.895 3.242 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000808694577 1317717207 /nfs/dbraw/zinc/71/72/07/1317717207.db2.gz FKGSYGFFSSHDKX-GOEBONIOSA-N 1 3 340.895 3.242 20 10 EGCDHO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001206317539 1371020094 /nfs/dbraw/zinc/02/00/94/1371020094.db2.gz GRRINAPNFOEZLF-OAHLLOKOSA-N 1 3 332.366 3.242 20 10 EGCDHO C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001206317539 1371020096 /nfs/dbraw/zinc/02/00/96/1371020096.db2.gz GRRINAPNFOEZLF-OAHLLOKOSA-N 1 3 332.366 3.242 20 10 EGCDHO COC1CCN(C2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)CC1 ZINC001140184649 1378028281 /nfs/dbraw/zinc/02/82/81/1378028281.db2.gz CURKDPJLBJULCT-UHFFFAOYSA-N 1 3 332.488 3.084 20 10 EGCDHO Cc1c(O)ccc(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001140744163 1378128482 /nfs/dbraw/zinc/12/84/82/1378128482.db2.gz NQENSIRYPOMXMX-HOTGVXAUSA-N 1 3 344.480 3.032 20 10 EGCDHO CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(C(F)(F)F)c1 ZINC000295100694 547427747 /nfs/dbraw/zinc/42/77/47/547427747.db2.gz UUYIQWAWSFCEPY-VHRNVKJDSA-N 1 3 341.421 3.486 20 10 EGCDHO C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccccc1[O-] ZINC000091974713 1292851866 /nfs/dbraw/zinc/85/18/66/1292851866.db2.gz VRGKHTGRINVLTN-UHFFFAOYSA-N 1 3 340.467 3.499 20 10 EGCDHO C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccccc1[O-] ZINC000091974713 1292851875 /nfs/dbraw/zinc/85/18/75/1292851875.db2.gz VRGKHTGRINVLTN-UHFFFAOYSA-N 1 3 340.467 3.499 20 10 EGCDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCSCC3)cc2)[C@H](C)C1 ZINC000163596016 1294336894 /nfs/dbraw/zinc/33/68/94/1294336894.db2.gz DQATYYPPIGOIAF-APWZRJJASA-N 1 3 333.545 3.060 20 10 EGCDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCSCC3)cc2)[C@H](C)C1 ZINC000163596016 1294336899 /nfs/dbraw/zinc/33/68/99/1294336899.db2.gz DQATYYPPIGOIAF-APWZRJJASA-N 1 3 333.545 3.060 20 10 EGCDHO CC[C@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccc(C)cc1O ZINC000794811687 1309600657 /nfs/dbraw/zinc/60/06/57/1309600657.db2.gz YBNCOCQGSUBSBM-HKUYNNGSSA-N 1 3 333.520 3.015 20 10 EGCDHO CN(C)c1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817896411 1319454443 /nfs/dbraw/zinc/45/44/43/1319454443.db2.gz IODKNLHOQIXRNO-PZJWPPBQSA-N 1 3 337.467 3.098 20 10 EGCDHO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(C(C)(C)C)CC3)C2)cc1 ZINC000818344415 1319532287 /nfs/dbraw/zinc/53/22/87/1319532287.db2.gz NEMLDNWGHKJJQO-KRWDZBQOSA-N 1 3 345.531 3.374 20 10 EGCDHO CCN(CC)c1ccc(CN2CCC(OCCC[NH3+])CC2)cc1F ZINC000843056283 1321463116 /nfs/dbraw/zinc/46/31/16/1321463116.db2.gz HHEYXFAASBLXPT-UHFFFAOYSA-N 1 3 337.483 3.002 20 10 EGCDHO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127883 1321474257 /nfs/dbraw/zinc/47/42/57/1321474257.db2.gz UFJVAFUBQRQQFH-KGLIPLIRSA-N 1 3 338.879 3.266 20 10 EGCDHO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843127883 1321474262 /nfs/dbraw/zinc/47/42/62/1321474262.db2.gz UFJVAFUBQRQQFH-KGLIPLIRSA-N 1 3 338.879 3.266 20 10 EGCDHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000848719109 1321999603 /nfs/dbraw/zinc/99/96/03/1321999603.db2.gz YGLUHBNUBVPAIX-KFWWJZLASA-N 1 3 339.430 3.116 20 10 EGCDHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000848719108 1322000197 /nfs/dbraw/zinc/00/01/97/1322000197.db2.gz YGLUHBNUBVPAIX-ILXRZTDVSA-N 1 3 339.430 3.116 20 10 EGCDHO COc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1[O-] ZINC000849349505 1322115787 /nfs/dbraw/zinc/11/57/87/1322115787.db2.gz BQXDNKCWYWMDEC-AWEZNQCLSA-N 1 3 338.879 3.266 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1[O-] ZINC001205578885 1370798693 /nfs/dbraw/zinc/79/86/93/1370798693.db2.gz JMWCYNYDBNITMQ-OAHLLOKOSA-N 1 3 345.256 3.116 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1[O-] ZINC001205578885 1370798697 /nfs/dbraw/zinc/79/86/97/1370798697.db2.gz JMWCYNYDBNITMQ-OAHLLOKOSA-N 1 3 345.256 3.116 20 10 EGCDHO CC[NH+]1CCN(c2ccc(CN(C)Cc3ccc(C)nc3)cc2)CC1 ZINC001140309441 1378044367 /nfs/dbraw/zinc/04/43/67/1378044367.db2.gz HACVLPCVYWHWAQ-UHFFFAOYSA-N 1 3 338.499 3.164 20 10 EGCDHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC001322376289 1387174773 /nfs/dbraw/zinc/17/47/73/1387174773.db2.gz OVEHFCJFXBUUJL-KDURUIRLSA-N 1 3 345.531 3.266 20 10 EGCDHO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000377905763 458569825 /nfs/dbraw/zinc/56/98/25/458569825.db2.gz UCSNNKWPBVWBOO-AWEZNQCLSA-N 1 3 338.879 3.218 20 10 EGCDHO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000377905763 458569832 /nfs/dbraw/zinc/56/98/32/458569832.db2.gz UCSNNKWPBVWBOO-AWEZNQCLSA-N 1 3 338.879 3.218 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1[O-] ZINC000808676127 1317714119 /nfs/dbraw/zinc/71/41/19/1317714119.db2.gz DZMIKTSZMBPLHW-HNNXBMFYSA-N 1 3 339.911 3.032 20 10 EGCDHO CN(CC[N@H+](C)Cc1ccc2ccccc2c1[O-])C1CC[NH+](C)CC1 ZINC000816610584 1319194221 /nfs/dbraw/zinc/19/42/21/1319194221.db2.gz QCCAWYPQYYJQEN-UHFFFAOYSA-N 1 3 341.499 3.003 20 10 EGCDHO CN(CC[N@@H+](C)Cc1ccc2ccccc2c1[O-])C1CC[NH+](C)CC1 ZINC000816610584 1319194226 /nfs/dbraw/zinc/19/42/26/1319194226.db2.gz QCCAWYPQYYJQEN-UHFFFAOYSA-N 1 3 341.499 3.003 20 10 EGCDHO [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000841085333 1321216131 /nfs/dbraw/zinc/21/61/31/1321216131.db2.gz ZLCJTZSZGPJFIT-FUHWJXTLSA-N 1 3 326.440 3.188 20 10 EGCDHO Cc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c([O-])cc1Br ZINC001206338215 1371026944 /nfs/dbraw/zinc/02/69/44/1371026944.db2.gz YGLNQOGJONYVEU-MRXNPFEDSA-N 1 3 341.293 3.414 20 10 EGCDHO Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c([O-])cc1Br ZINC001206338215 1371026945 /nfs/dbraw/zinc/02/69/45/1371026945.db2.gz YGLNQOGJONYVEU-MRXNPFEDSA-N 1 3 341.293 3.414 20 10 EGCDHO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC3(CC2)CNCCO3)cc1 ZINC001222207962 1373821098 /nfs/dbraw/zinc/82/10/98/1373821098.db2.gz HLYCMFUJOKXTQM-UHFFFAOYSA-N 1 3 339.483 3.049 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CCc4ccsc4C3)cc2)CC1 ZINC001140304092 1378042832 /nfs/dbraw/zinc/04/28/32/1378042832.db2.gz HRUCCAMXJKJEOQ-UHFFFAOYSA-N 1 3 341.524 3.448 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CCc4ccsc4C3)cc2)CC1 ZINC001140304092 1378042833 /nfs/dbraw/zinc/04/28/33/1378042833.db2.gz HRUCCAMXJKJEOQ-UHFFFAOYSA-N 1 3 341.524 3.448 20 10 EGCDHO CC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132968540 454381883 /nfs/dbraw/zinc/38/18/83/454381883.db2.gz AVTVETHSZXOEBV-LAUBAEHRSA-N 1 3 345.531 3.294 20 10 EGCDHO C[NH+](C)CCOC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000738211519 576300425 /nfs/dbraw/zinc/30/04/25/576300425.db2.gz WPFXWGLQAYGHKH-UHFFFAOYSA-N 1 3 328.456 3.088 20 10 EGCDHO CCc1ccc(C[NH2+]Cc2ccc(N3CCN(CC)CC3)c(F)c2)o1 ZINC000133206310 1293738449 /nfs/dbraw/zinc/73/84/49/1293738449.db2.gz FWOHZXAPAVHVIQ-UHFFFAOYSA-N 1 3 345.462 3.413 20 10 EGCDHO Oc1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)c(O)c1 ZINC001204281599 1370431559 /nfs/dbraw/zinc/43/15/59/1370431559.db2.gz XBTVTJGBOYBZHD-UHFFFAOYSA-N 1 3 338.451 3.196 20 10 EGCDHO Cc1c(O)ccc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001140744165 1378128615 /nfs/dbraw/zinc/12/86/15/1378128615.db2.gz NQENSIRYPOMXMX-IYBDPMFKSA-N 1 3 344.480 3.032 20 10 EGCDHO Cc1c(O)ccc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001140744165 1378128616 /nfs/dbraw/zinc/12/86/16/1378128616.db2.gz NQENSIRYPOMXMX-IYBDPMFKSA-N 1 3 344.480 3.032 20 10 EGCDHO Oc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC001141159462 1378254597 /nfs/dbraw/zinc/25/45/97/1378254597.db2.gz GVGQICXRLNISDB-NRFANRHFSA-N 1 3 338.451 3.196 20 10 EGCDHO Oc1ccc(O)c(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC001141159462 1378254601 /nfs/dbraw/zinc/25/46/01/1378254601.db2.gz GVGQICXRLNISDB-NRFANRHFSA-N 1 3 338.451 3.196 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1[O-] ZINC000780780793 1304737803 /nfs/dbraw/zinc/73/78/03/1304737803.db2.gz AHODRODDDGSPEL-UHFFFAOYSA-N 1 3 341.293 3.285 20 10 EGCDHO CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712744 1317721038 /nfs/dbraw/zinc/72/10/38/1317721038.db2.gz BBMDTFZGDDGTOX-CQSZACIVSA-N 1 3 328.884 3.363 20 10 EGCDHO [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000904406456 1317843588 /nfs/dbraw/zinc/84/35/88/1317843588.db2.gz VPEJRAUSLQESKB-MRXNPFEDSA-N 1 3 326.440 3.142 20 10 EGCDHO [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000904406456 1317843596 /nfs/dbraw/zinc/84/35/96/1317843596.db2.gz VPEJRAUSLQESKB-MRXNPFEDSA-N 1 3 326.440 3.142 20 10 EGCDHO CCN(C)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000815210099 1318928816 /nfs/dbraw/zinc/92/88/16/1318928816.db2.gz IPTLMHWEXHRYGM-WCRBZPEASA-N 1 3 345.531 3.216 20 10 EGCDHO CCN(C)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000815210099 1318928824 /nfs/dbraw/zinc/92/88/24/1318928824.db2.gz IPTLMHWEXHRYGM-WCRBZPEASA-N 1 3 345.531 3.216 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)c1[O-] ZINC000817967695 1319481137 /nfs/dbraw/zinc/48/11/37/1319481137.db2.gz KZQJMOGRXBFDAD-NSHDSACASA-N 1 3 325.250 3.033 20 10 EGCDHO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC000841033493 1321204776 /nfs/dbraw/zinc/20/47/76/1321204776.db2.gz PFJGOXQJMQKIFI-AEFFLSMTSA-N 1 3 340.467 3.449 20 10 EGCDHO CCN(CC)c1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1F ZINC000843124829 1321473292 /nfs/dbraw/zinc/47/32/92/1321473292.db2.gz IJCLTOMBKWJTDH-QUCCMNQESA-N 1 3 349.494 3.000 20 10 EGCDHO CC(C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001204604496 1370528966 /nfs/dbraw/zinc/52/89/66/1370528966.db2.gz SMABVSZLWZCCNG-UHFFFAOYSA-N 1 3 326.440 3.285 20 10 EGCDHO CC(C)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001204604496 1370528970 /nfs/dbraw/zinc/52/89/70/1370528970.db2.gz SMABVSZLWZCCNG-UHFFFAOYSA-N 1 3 326.440 3.285 20 10 EGCDHO COc1ccc(N2CCC([NH2+]CCCN3CCC(C)CC3)CC2)cc1 ZINC000161776513 1294299447 /nfs/dbraw/zinc/29/94/47/1294299447.db2.gz IUBJHJBOFGBWCS-UHFFFAOYSA-N 1 3 345.531 3.376 20 10 EGCDHO Cc1cccc([O-])c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000877626203 1299440651 /nfs/dbraw/zinc/44/06/51/1299440651.db2.gz SAWHRHZFJAWCLO-UHFFFAOYSA-N 1 3 325.456 3.097 20 10 EGCDHO C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000783510400 1305101319 /nfs/dbraw/zinc/10/13/19/1305101319.db2.gz YWMBZJBUAVNWOT-INIZCTEOSA-N 1 3 328.456 3.226 20 10 EGCDHO CN(C)c1cc(F)c(CNCCCCC[NH+]2CCCC2)cc1F ZINC000858167420 1328701940 /nfs/dbraw/zinc/70/19/40/1328701940.db2.gz BNBZSIPRZOOTPU-UHFFFAOYSA-N 1 3 325.447 3.387 20 10 EGCDHO CN(C)c1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000902517354 1317586039 /nfs/dbraw/zinc/58/60/39/1317586039.db2.gz KKRWGBRRWVNXMT-NJYVYQBISA-N 1 3 338.499 3.090 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1[O-] ZINC000808693046 1317717683 /nfs/dbraw/zinc/71/76/83/1317717683.db2.gz UUKKULPSZYOGKQ-HNNXBMFYSA-N 1 3 339.911 3.032 20 10 EGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1[O-] ZINC000808693046 1317717692 /nfs/dbraw/zinc/71/76/92/1317717692.db2.gz UUKKULPSZYOGKQ-HNNXBMFYSA-N 1 3 339.911 3.032 20 10 EGCDHO CN(C)CCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000809730085 1317881537 /nfs/dbraw/zinc/88/15/37/1317881537.db2.gz ZUHMXNOBRNZMTF-UHFFFAOYSA-N 1 3 328.456 3.355 20 10 EGCDHO CN(C)CCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000809730085 1317881543 /nfs/dbraw/zinc/88/15/43/1317881543.db2.gz ZUHMXNOBRNZMTF-UHFFFAOYSA-N 1 3 328.456 3.355 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1[O-] ZINC000817970269 1319481402 /nfs/dbraw/zinc/48/14/02/1319481402.db2.gz QGPBMZQVDDSFEP-UHTWSYAYSA-N 1 3 327.266 3.384 20 10 EGCDHO CCOCc1cc(CNCc2ccc(CC[NH3+])cc2)ccc1OC ZINC000841032162 1321204036 /nfs/dbraw/zinc/20/40/36/1321204036.db2.gz NOXCWVIPLJZDTE-UHFFFAOYSA-N 1 3 328.456 3.023 20 10 EGCDHO Cc1cc(Br)cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1[O-] ZINC000843048615 1321461322 /nfs/dbraw/zinc/46/13/22/1321461322.db2.gz KYPASBWJDWPJOZ-NSHDSACASA-N 1 3 327.266 3.022 20 10 EGCDHO C[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205652013 1370829077 /nfs/dbraw/zinc/82/90/77/1370829077.db2.gz NGEQZDHIJXEXJP-NEPJUHHUSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205652013 1370829084 /nfs/dbraw/zinc/82/90/84/1370829084.db2.gz NGEQZDHIJXEXJP-NEPJUHHUSA-N 1 3 332.366 3.098 20 10 EGCDHO COc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1[O-] ZINC001235242708 1376862448 /nfs/dbraw/zinc/86/24/48/1376862448.db2.gz UJCNDHOQXFWMTP-MRXNPFEDSA-N 1 3 338.879 3.408 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC001140304237 1378042923 /nfs/dbraw/zinc/04/29/23/1378042923.db2.gz JZQMPPMTCLRJTI-INIZCTEOSA-N 1 3 341.421 3.213 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC001140304237 1378042924 /nfs/dbraw/zinc/04/29/24/1378042924.db2.gz JZQMPPMTCLRJTI-INIZCTEOSA-N 1 3 341.421 3.213 20 10 EGCDHO CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(N(C)C)cc1 ZINC000154493843 454901481 /nfs/dbraw/zinc/90/14/81/454901481.db2.gz UPEQFCAFDIWMMO-NRFANRHFSA-N 1 3 346.563 3.211 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1[O-] ZINC000843112570 1321472401 /nfs/dbraw/zinc/47/24/01/1321472401.db2.gz HPQAFTZSZHQABL-LBPRGKRZSA-N 1 3 327.266 3.024 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1[O-] ZINC000843112570 1321472403 /nfs/dbraw/zinc/47/24/03/1321472403.db2.gz HPQAFTZSZHQABL-LBPRGKRZSA-N 1 3 327.266 3.024 20 10 EGCDHO COc1cccc([O-])c1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000768301886 1302876543 /nfs/dbraw/zinc/87/65/43/1302876543.db2.gz DQCNYRWJIPUDMC-UHFFFAOYSA-N 1 3 332.488 3.489 20 10 EGCDHO COc1cc(C)cc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000894433828 1308881669 /nfs/dbraw/zinc/88/16/69/1308881669.db2.gz DKBBFRKPYHRCOK-HZPDHXFCSA-N 1 3 332.488 3.452 20 10 EGCDHO COc1cc(C)cc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000894433828 1308881681 /nfs/dbraw/zinc/88/16/81/1308881681.db2.gz DKBBFRKPYHRCOK-HZPDHXFCSA-N 1 3 332.488 3.452 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000817976214 1319483534 /nfs/dbraw/zinc/48/35/34/1319483534.db2.gz IHUOLFNPSODFKJ-FZMZJTMJSA-N 1 3 339.277 3.256 20 10 EGCDHO [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057404 1321210954 /nfs/dbraw/zinc/21/09/54/1321210954.db2.gz KRRNATNNUJPXBG-GOSISDBHSA-N 1 3 326.440 3.203 20 10 EGCDHO C[NH2+]CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000843050042 1321461370 /nfs/dbraw/zinc/46/13/70/1321461370.db2.gz YPMYDGJTZZTGHZ-UHFFFAOYSA-N 1 3 340.467 3.403 20 10 EGCDHO COc1cccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)c1O ZINC000846140957 1321771014 /nfs/dbraw/zinc/77/10/14/1321771014.db2.gz BKBJFTUOPIRZDV-OAHLLOKOSA-N 1 3 344.455 3.192 20 10 EGCDHO Cc1cc([O-])c(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1Cl ZINC001205706870 1370847727 /nfs/dbraw/zinc/84/77/27/1370847727.db2.gz VDOVVMAFPNYDTP-UHFFFAOYSA-N 1 3 341.927 3.059 20 10 EGCDHO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206027702 1370941880 /nfs/dbraw/zinc/94/18/80/1370941880.db2.gz WQPORWVVVSQISG-VXGBXAGGSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206027702 1370941883 /nfs/dbraw/zinc/94/18/83/1370941883.db2.gz WQPORWVVVSQISG-VXGBXAGGSA-N 1 3 332.366 3.098 20 10 EGCDHO CCN1CCN(c2ccc(C[N@H+](C)Cc3ccccc3O)cc2)CC1 ZINC001140306599 1378043856 /nfs/dbraw/zinc/04/38/56/1378043856.db2.gz VBVROZBOTMVLMM-UHFFFAOYSA-N 1 3 339.483 3.166 20 10 EGCDHO CCN1CCN(c2ccc(C[N@@H+](C)Cc3ccccc3O)cc2)CC1 ZINC001140306599 1378043860 /nfs/dbraw/zinc/04/38/60/1378043860.db2.gz VBVROZBOTMVLMM-UHFFFAOYSA-N 1 3 339.483 3.166 20 10 EGCDHO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](N(C)C)C3)CC2)cc1 ZINC000161070094 455529722 /nfs/dbraw/zinc/52/97/22/455529722.db2.gz DEYCVAAXNMNPHB-HKUYNNGSSA-N 1 3 331.504 3.126 20 10 EGCDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808701874 1317718665 /nfs/dbraw/zinc/71/86/65/1317718665.db2.gz LCHRMQIWYUJROK-UKRRQHHQSA-N 1 3 328.884 3.361 20 10 EGCDHO C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@H]1C[NH3+] ZINC001205636528 1370820799 /nfs/dbraw/zinc/82/07/99/1370820799.db2.gz DGJFORTZDVARRT-NEPJUHHUSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC[C@H]1C[NH3+] ZINC001205636528 1370820803 /nfs/dbraw/zinc/82/08/03/1370820803.db2.gz DGJFORTZDVARRT-NEPJUHHUSA-N 1 3 332.366 3.098 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1[O-] ZINC001206318059 1371020265 /nfs/dbraw/zinc/02/02/65/1371020265.db2.gz LWGNLMQJVBUZAU-INIZCTEOSA-N 1 3 341.293 3.414 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1[O-] ZINC001206318059 1371020270 /nfs/dbraw/zinc/02/02/70/1371020270.db2.gz LWGNLMQJVBUZAU-INIZCTEOSA-N 1 3 341.293 3.414 20 10 EGCDHO [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235887645 1376911365 /nfs/dbraw/zinc/91/13/65/1376911365.db2.gz HYFGWUUUUCQRGF-OAHLLOKOSA-N 1 3 328.378 3.375 20 10 EGCDHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271510249 455664959 /nfs/dbraw/zinc/66/49/59/455664959.db2.gz NVSGLYPDNPDXCF-HBMCJLEFSA-N 1 3 345.531 3.171 20 10 EGCDHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC000366545715 457847431 /nfs/dbraw/zinc/84/74/31/457847431.db2.gz LAIDNZVEMASRCL-PBEJRMEISA-N 1 3 340.467 3.229 20 10 EGCDHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC000366545715 457847436 /nfs/dbraw/zinc/84/74/36/457847436.db2.gz LAIDNZVEMASRCL-PBEJRMEISA-N 1 3 340.467 3.229 20 10 EGCDHO CN1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000731041570 575046003 /nfs/dbraw/zinc/04/60/03/575046003.db2.gz HFQZEWYRDVUDJN-KRWDZBQOSA-N 1 3 346.475 3.017 20 10 EGCDHO CC[NH+]1CCC(N(C)Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000827973864 1292414689 /nfs/dbraw/zinc/41/46/89/1292414689.db2.gz MWDFPVQGVOQHSK-UHFFFAOYSA-N 1 3 345.531 3.218 20 10 EGCDHO COc1cc(C)cc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000894433829 1308880551 /nfs/dbraw/zinc/88/05/51/1308880551.db2.gz DKBBFRKPYHRCOK-JKSUJKDBSA-N 1 3 332.488 3.452 20 10 EGCDHO COc1cc(C)cc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000894433829 1308880564 /nfs/dbraw/zinc/88/05/64/1308880564.db2.gz DKBBFRKPYHRCOK-JKSUJKDBSA-N 1 3 332.488 3.452 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1[O-] ZINC000839183581 1320888641 /nfs/dbraw/zinc/88/86/41/1320888641.db2.gz YTSRHQNDTVMSGE-ZDUSSCGKSA-N 1 3 341.293 3.285 20 10 EGCDHO Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1[O-] ZINC000839183581 1320888646 /nfs/dbraw/zinc/88/86/46/1320888646.db2.gz YTSRHQNDTVMSGE-ZDUSSCGKSA-N 1 3 341.293 3.285 20 10 EGCDHO CCOc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c([O-])c1 ZINC000809739007 1317884869 /nfs/dbraw/zinc/88/48/69/1317884869.db2.gz SXGVXOCHRCYSJW-UHFFFAOYSA-N 1 3 328.456 3.485 20 10 EGCDHO CCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c([O-])c1 ZINC000809739007 1317884879 /nfs/dbraw/zinc/88/48/79/1317884879.db2.gz SXGVXOCHRCYSJW-UHFFFAOYSA-N 1 3 328.456 3.485 20 10 EGCDHO [NH3+]C1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000843105569 1321470923 /nfs/dbraw/zinc/47/09/23/1321470923.db2.gz WUVZWBAOGSAMFA-UHFFFAOYSA-N 1 3 326.440 3.331 20 10 EGCDHO COc1cccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)c1O ZINC000846140956 1321770556 /nfs/dbraw/zinc/77/05/56/1321770556.db2.gz BKBJFTUOPIRZDV-HNNXBMFYSA-N 1 3 344.455 3.192 20 10 EGCDHO C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@H]1C[NH3+] ZINC001206027700 1370942128 /nfs/dbraw/zinc/94/21/28/1370942128.db2.gz WQPORWVVVSQISG-RYUDHWBXSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CCC[C@H]1C[NH3+] ZINC001206027700 1370942131 /nfs/dbraw/zinc/94/21/31/1370942131.db2.gz WQPORWVVVSQISG-RYUDHWBXSA-N 1 3 332.366 3.098 20 10 EGCDHO COc1cc(C[N@H+](C)CCc2cccc(F)c2)cc(C[NH+](C)C)c1[O-] ZINC001139260247 1377859631 /nfs/dbraw/zinc/85/96/31/1377859631.db2.gz IZBAJFGKPKDKAQ-UHFFFAOYSA-N 1 3 346.446 3.276 20 10 EGCDHO COc1cc(C[N@@H+](C)CCc2cccc(F)c2)cc(C[NH+](C)C)c1[O-] ZINC001139260247 1377859635 /nfs/dbraw/zinc/85/96/35/1377859635.db2.gz IZBAJFGKPKDKAQ-UHFFFAOYSA-N 1 3 346.446 3.276 20 10 EGCDHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000178035567 454928655 /nfs/dbraw/zinc/92/86/55/454928655.db2.gz SVSUOENXDZIKRF-BZSNNMDCSA-N 1 3 333.520 3.293 20 10 EGCDHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813802 455714656 /nfs/dbraw/zinc/71/46/56/455714656.db2.gz FPEXOQACVVNVQB-GHTZIAJQSA-N 1 3 345.531 3.174 20 10 EGCDHO CCCOc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1C ZINC000873054959 1297250163 /nfs/dbraw/zinc/25/01/63/1297250163.db2.gz BIARXPRSBJBWGK-LJQANCHMSA-N 1 3 346.515 3.374 20 10 EGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1[O-] ZINC000873293596 1297416304 /nfs/dbraw/zinc/41/63/04/1297416304.db2.gz NMABMAUTDCMQLF-HIFRSBDPSA-N 1 3 338.879 3.163 20 10 EGCDHO COc1cc(Cl)cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1[O-] ZINC000877684565 1299478162 /nfs/dbraw/zinc/47/81/62/1299478162.db2.gz PYZINSFAZBHFRI-UHFFFAOYSA-N 1 3 338.879 3.362 20 10 EGCDHO CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712743 1317720974 /nfs/dbraw/zinc/72/09/74/1317720974.db2.gz BBMDTFZGDDGTOX-AWEZNQCLSA-N 1 3 328.884 3.363 20 10 EGCDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897899 1319455128 /nfs/dbraw/zinc/45/51/28/1319455128.db2.gz XQEBCTHQYZZNOG-ORYQWCPZSA-N 1 3 345.531 3.297 20 10 EGCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)c1[O-] ZINC000817940893 1319468222 /nfs/dbraw/zinc/46/82/22/1319468222.db2.gz LXZMRMYUISXRRG-LLVKDONJSA-N 1 3 327.266 3.113 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1[O-] ZINC000817985421 1319486752 /nfs/dbraw/zinc/48/67/52/1319486752.db2.gz JZTKMYUAEDQILA-LBPRGKRZSA-N 1 3 339.277 3.424 20 10 EGCDHO C[NH+](C)CCOc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921546240 1322348190 /nfs/dbraw/zinc/34/81/90/1322348190.db2.gz JIOGSXSXDNIWBT-UHFFFAOYSA-N 1 3 340.467 3.242 20 10 EGCDHO C[N@@H+](Cc1ccc(O)cc1[O-])CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204278810 1370430652 /nfs/dbraw/zinc/43/06/52/1370430652.db2.gz KAKQSUDQEAOFFZ-UHFFFAOYSA-N 1 3 340.467 3.442 20 10 EGCDHO C[N@H+](Cc1ccc(O)cc1[O-])CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204278810 1370430654 /nfs/dbraw/zinc/43/06/54/1370430654.db2.gz KAKQSUDQEAOFFZ-UHFFFAOYSA-N 1 3 340.467 3.442 20 10 EGCDHO C[C@H]1CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205652015 1370828322 /nfs/dbraw/zinc/82/83/22/1370828322.db2.gz NGEQZDHIJXEXJP-RYUDHWBXSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205652015 1370828327 /nfs/dbraw/zinc/82/83/27/1370828327.db2.gz NGEQZDHIJXEXJP-RYUDHWBXSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205652016 1370828843 /nfs/dbraw/zinc/82/88/43/1370828843.db2.gz NGEQZDHIJXEXJP-VXGBXAGGSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205652016 1370828847 /nfs/dbraw/zinc/82/88/47/1370828847.db2.gz NGEQZDHIJXEXJP-VXGBXAGGSA-N 1 3 332.366 3.098 20 10 EGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC001206011972 1370937619 /nfs/dbraw/zinc/93/76/19/1370937619.db2.gz HUUPXDYXJLUBIR-STQMWFEESA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC001206011972 1370937621 /nfs/dbraw/zinc/93/76/21/1370937621.db2.gz HUUPXDYXJLUBIR-STQMWFEESA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206024088 1370941376 /nfs/dbraw/zinc/94/13/76/1370941376.db2.gz HPTIKJNDIDJNLH-OLZOCXBDSA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206024088 1370941379 /nfs/dbraw/zinc/94/13/79/1370941379.db2.gz HPTIKJNDIDJNLH-OLZOCXBDSA-N 1 3 341.293 3.270 20 10 EGCDHO C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001206563889 1371095306 /nfs/dbraw/zinc/09/53/06/1371095306.db2.gz JTJGHVBFIJFVKY-OAHLLOKOSA-N 1 3 332.366 3.242 20 10 EGCDHO C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001206563889 1371095312 /nfs/dbraw/zinc/09/53/12/1371095312.db2.gz JTJGHVBFIJFVKY-OAHLLOKOSA-N 1 3 332.366 3.242 20 10 EGCDHO CC(C)(C)c1ccc(O)c(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001233283543 1376602681 /nfs/dbraw/zinc/60/26/81/1376602681.db2.gz KPCVLFHGFCJYDJ-UHFFFAOYSA-N 1 3 325.456 3.407 20 10 EGCDHO CCC[NH+](CCC)CCCN1CCN(Cc2cc(C)ccc2O)CC1 ZINC001140624331 1378100499 /nfs/dbraw/zinc/10/04/99/1378100499.db2.gz RAGHNWMPHCFDAZ-UHFFFAOYSA-N 1 3 347.547 3.330 20 10 EGCDHO CC(C)(C)c1cccc(CN2CCN(c3cc[nH+]cc3)CC2)c1O ZINC001143104695 1378541413 /nfs/dbraw/zinc/54/14/13/1378541413.db2.gz XKZCMVXFPMYIEX-UHFFFAOYSA-N 1 3 325.456 3.407 20 10 EGCDHO CN1C(C)(C)CC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1(C)C ZINC001171642272 1384590387 /nfs/dbraw/zinc/59/03/87/1384590387.db2.gz IIDXKZAKVWUSQF-UHFFFAOYSA-N 1 3 332.488 3.497 20 10 EGCDHO CN1C(C)(C)CC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1(C)C ZINC001171642272 1384590389 /nfs/dbraw/zinc/59/03/89/1384590389.db2.gz IIDXKZAKVWUSQF-UHFFFAOYSA-N 1 3 332.488 3.497 20 10 EGCDHO C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(F)ccc1[O-] ZINC000185056853 455492787 /nfs/dbraw/zinc/49/27/87/455492787.db2.gz MXSYBJUBAKKEOM-CQSZACIVSA-N 1 3 332.419 3.323 20 10 EGCDHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743543096 576811565 /nfs/dbraw/zinc/81/15/65/576811565.db2.gz GOKRFWRYNXISOJ-UHFFFAOYSA-N 1 3 348.491 3.263 20 10 EGCDHO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000708563435 1298242973 /nfs/dbraw/zinc/24/29/73/1298242973.db2.gz XIECOEQKFSIEQX-QFBILLFUSA-N 1 3 340.467 3.259 20 10 EGCDHO c1cc(N2CCSCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817888202 1319451492 /nfs/dbraw/zinc/45/14/92/1319451492.db2.gz JQRAYWYRIIPONB-SLFFLAALSA-N 1 3 345.556 3.250 20 10 EGCDHO CN(C)c1ccc(CN2CCC(CC[NH3+])CC2)c(C(F)(F)F)c1 ZINC000844911154 1321656999 /nfs/dbraw/zinc/65/69/99/1321656999.db2.gz LMZXYZDSKXYTND-UHFFFAOYSA-N 1 3 329.410 3.332 20 10 EGCDHO CC(C)CCN1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000924749406 1323143511 /nfs/dbraw/zinc/14/35/11/1323143511.db2.gz IRKFHIOHIJZIFC-UHFFFAOYSA-N 1 3 345.531 3.123 20 10 EGCDHO CC[NH+]1CCC(CC2CCN(Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001203879907 1370297162 /nfs/dbraw/zinc/29/71/62/1370297162.db2.gz GVFKZYGJJABCHF-UHFFFAOYSA-N 1 3 332.488 3.432 20 10 EGCDHO Cc1cc(N2CCN(Cc3ccc(O)cc3O)CC2)c2ccccc2[nH+]1 ZINC001204276257 1370429300 /nfs/dbraw/zinc/42/93/00/1370429300.db2.gz ISORCOIYPMWTMY-UHFFFAOYSA-N 1 3 349.434 3.277 20 10 EGCDHO C[C@H]1CCN(Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1C[NH3+] ZINC001205317971 1370719992 /nfs/dbraw/zinc/71/99/92/1370719992.db2.gz RBYQLIRXGHIQQA-QFBILLFUSA-N 1 3 340.467 3.388 20 10 EGCDHO COc1cc(C[N@H+](C)CCc2ccccc2)cc(C[NH+](C)C)c1[O-] ZINC001139253498 1377858365 /nfs/dbraw/zinc/85/83/65/1377858365.db2.gz WFDBWZCHFZGMOQ-UHFFFAOYSA-N 1 3 328.456 3.137 20 10 EGCDHO COc1cc(C[N@@H+](C)CCc2ccccc2)cc(C[NH+](C)C)c1[O-] ZINC001139253498 1377858371 /nfs/dbraw/zinc/85/83/71/1377858371.db2.gz WFDBWZCHFZGMOQ-UHFFFAOYSA-N 1 3 328.456 3.137 20 10 EGCDHO CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(N(C)C)cc1 ZINC000154493927 454901432 /nfs/dbraw/zinc/90/14/32/454901432.db2.gz UPEQFCAFDIWMMO-OAQYLSRUSA-N 1 3 346.563 3.211 20 10 EGCDHO CCN(C)c1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000271432687 455634612 /nfs/dbraw/zinc/63/46/12/455634612.db2.gz BFVXVKUYXSMIGV-ZLGUVYLKSA-N 1 3 345.531 3.171 20 10 EGCDHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000268813806 455714619 /nfs/dbraw/zinc/71/46/19/455714619.db2.gz FPEXOQACVVNVQB-RXVVDRJESA-N 1 3 345.531 3.174 20 10 EGCDHO C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762648600 1301721428 /nfs/dbraw/zinc/72/14/28/1301721428.db2.gz JYTWLMIZZZQCMS-KGLIPLIRSA-N 1 3 326.868 3.197 20 10 EGCDHO CN(C)c1ccc([C@H](CNC2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000898450281 1310742415 /nfs/dbraw/zinc/74/24/15/1310742415.db2.gz PTMDLPCABHEKFK-FQEVSTJZSA-N 1 3 346.563 3.208 20 10 EGCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1[O-] ZINC000817954812 1319476649 /nfs/dbraw/zinc/47/66/49/1319476649.db2.gz KMHRFANESGEIJU-RYUDHWBXSA-N 1 3 327.266 3.113 20 10 EGCDHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841027969 1321203248 /nfs/dbraw/zinc/20/32/48/1321203248.db2.gz HYJBEODGGIVLJA-IAGOWNOFSA-N 1 3 346.475 3.192 20 10 EGCDHO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC000841033494 1321204423 /nfs/dbraw/zinc/20/44/23/1321204423.db2.gz PFJGOXQJMQKIFI-FUHWJXTLSA-N 1 3 340.467 3.449 20 10 EGCDHO [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841057405 1321211156 /nfs/dbraw/zinc/21/11/56/1321211156.db2.gz KRRNATNNUJPXBG-SFHVURJKSA-N 1 3 326.440 3.203 20 10 EGCDHO C[NH+](C)CCOc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921547993 1322347833 /nfs/dbraw/zinc/34/78/33/1322347833.db2.gz SXQRNDPTDXFGDG-UHFFFAOYSA-N 1 3 340.467 3.242 20 10 EGCDHO Cc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c([O-])cc1Br ZINC001205604306 1370807842 /nfs/dbraw/zinc/80/78/42/1370807842.db2.gz UTCCIFNXWDVTAR-OAHLLOKOSA-N 1 3 345.256 3.116 20 10 EGCDHO Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c([O-])cc1Br ZINC001205604306 1370807848 /nfs/dbraw/zinc/80/78/48/1370807848.db2.gz UTCCIFNXWDVTAR-OAHLLOKOSA-N 1 3 345.256 3.116 20 10 EGCDHO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c([O-])cc1Br ZINC001205666066 1370834770 /nfs/dbraw/zinc/83/47/70/1370834770.db2.gz ZGYPKMKKSMADIN-YPMHNXCESA-N 1 3 341.293 3.270 20 10 EGCDHO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c([O-])cc1Br ZINC001205666066 1370834766 /nfs/dbraw/zinc/83/47/66/1370834766.db2.gz ZGYPKMKKSMADIN-YPMHNXCESA-N 1 3 341.293 3.270 20 10 EGCDHO C[C@@H]1C[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206026278 1370942071 /nfs/dbraw/zinc/94/20/71/1370942071.db2.gz RGEJXZCBXNPROD-VXGBXAGGSA-N 1 3 332.366 3.098 20 10 EGCDHO C[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206026278 1370942073 /nfs/dbraw/zinc/94/20/73/1370942073.db2.gz RGEJXZCBXNPROD-VXGBXAGGSA-N 1 3 332.366 3.098 20 10 EGCDHO Cc1cc(N2CCN(Cc3ccc(N)cc3)CC2)c2ccccc2[nH+]1 ZINC001206284411 1371012003 /nfs/dbraw/zinc/01/20/03/1371012003.db2.gz DAADVDMQTNJWPW-UHFFFAOYSA-N 1 3 332.451 3.448 20 10 EGCDHO Cc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c([O-])c1 ZINC001140948559 1378188328 /nfs/dbraw/zinc/18/83/28/1378188328.db2.gz NURSDCCBNUYNCM-UHFFFAOYSA-N 1 3 332.488 3.025 20 10 EGCDHO